diff --git a/sit.dat b/sit.dat index c33ac50e..c63d2dc1 100644 --- a/sit.dat +++ b/sit.dat @@ -1,14830 +1,15119 @@ -#Update note: ThermoChimie v.8.0 September 2011. -# The database contains modifications related to SIT approach: -# -elimination of weak complexes: NaCl, Na(OH), Na(NO3), Na(SO4)-, -# KCl, K(OH), K(NO3), K(SO4)-, CaCl+, CaCl2, Ca(NO3)+, Ca(NO3)2, BaCl+ -# -update of SIT interaction coefficients -# - New Thermodynamic data for phyllosolicate phases, cement phases and zeolites -# - New thermodynamic data for organic and phosphates +# PHREEQC database +# Base de Donnee ANDRA - THERMO_CHIMIE +# Version 9a +# Nom : Groupement de laboratoires ThermoChimie +# BDD Date : 7/28/2014 +# Crée le 7/28/2014 +# Remarque : no comment + +NAMED_EXPRESSIONS + # -# --------------------------------------------------------------- -# This database corresponds to the PHREEQCi version of the -# ThermoChimie v.7.c (December 2010), -# developed by Amphos 21, BRGM and HydrAsa for -# ANDRA, the French National Radioactive Waste Management Agency.The -# data selection process includes a compilation of the thermodynamic -# data reported in previous databases such as SUPCRT92, NBS (Wagman, -# D.D., Evans, W.H., Parker, V.B., Schumm, R.H., Halow, I., Bailey, -# S.M.,Churney, K.L., Nuttall, R.L., (1982), The NBS tables of -# chemical thermodynamic properties, selected values for inorganic -# and c1 and c2 organic substances in SI units. J. Phys. Chem. Ref. -# Data, V. 11, supp. 2, 392p), USGS Database (Robie R.A., and -# Hemingway B.S., 1995. Thermodynamic properties of minerals and -# related substances at 298.15 K and 1 Bar (105 Pascals) pressure -# and at higher temperatures. U.S. Geol. Survey Bull., 2131, 461 p) -# for major elements and the IAEA (Fuger J., Oetting F.L. The -# Chemical thermodynamics of actinide elements and compounds: Part -# I. The actinide aqueous ions, IAEA Vienna, 1976, 65pp.). Special -# review efforts are focused on elements of interest for radioactive -# waste management: Rb; Cs; Ba; Ra; B; Sn; Pb; Sb; Se; Zr; Hf; Nb; -# Mo; Mn; Tc; Fe; Co; Ni; Pd; Ag; Cd; Sm; Eu; Ho; Th; Pa; U; Np; Pu; -# Am; Cm; (Main data sources for U, Np, Pu, Am, Se, Ni and Zr and -# auxiliary species are the OECD NEA TDB Project compilations. The -# specific ionic theory for activity corrections has been used in -# the derivation of the stability constants when possible. -# -# Grenthe, I., Fuger, J., Konings, R.J.M., Lemire, R.J., Muller, -# A.B., Nguyen-Trung, C., Wanner, H. (1992): Chemical Thermodynamics -# 1; Chemical Thermodynamics of Uranium. NEA OECD, Elsevier; -# -# Lemire, R.J., Fuger, J., Nitsche, H., Potter, P., Rand, M.H., -# Rydberg, J., Spahiu, K., Sullivan, J.C., Ullman, W.J., Vitorge, P., -# Wanner, H. (2001) Chemical Thermodynamics 4. Chemical -# thermodynamics of neptunium and plutonium. NEA OECD, Elsevier; -# -# Guillaumont, R., Fanghänel, J., Neck, V., Fuger, J., Palmer, D.A., -# Grenthe, I., Rand, M.H. (2003) Chemical Thermodynamics 5. Update on -# the Chemical Thermodynamics of Uranium, Neptunium, Plutonium, -# Americium and Technetium. NEA OECD, Elsevier; -# -# Brown, P., Curti, E., Grambow, B. (with a collaboration from -# Ekberg, C.) (2005) Chemical Thermodynamics 8. Chemical -# Thermodynamics of Zirconium. NEA Data bank, OECD. North Holland -# Elsevier Science Publishers B.V., Amsterdam, Netherlands; -# -# Hummel, W., Anderegg, G., Rao, L., Puigdomènech, I., Tochiyama, O., -# (2005). Chemical Thermodynamics 9: Chemical Thermodynamics of -# Compounds and Complexes of U, Np, Pu, Am, Tc, Se, Ni and Zr with -# Selected Organic Ligands. NEA OECD. Elsevier. -# -# Gamsjäger, H., Bugajski, J., Gajda, T., Lemire, R.J. and Preis, W. -# (2005). Chemical Thermodynamics 6: Chemical Thermodynamics of -# Nickel. NEA OECD, Elsevier -# -# Olin, A., Noläng, B., Osadchii, E.G., Öhman, L.O. and Rosén, E. -# (2005). Chemical Thermodynamics 7: Chemical Thermodynamics of -# Selenium. NEA OECD, Elsevier -# -# Rand, M. H., J. Fuger, I. Grenthe, V. Neck and D. Rai. 2009. -# Chemical Thermodynamics of Thorium. Chemical Thermodynamics 11. NEA -# OECD. Issy-les- Moulineaux, France -# -# SIT coefficients have been implemented in the Thermochimie data -# base, following two purposes: -# -# - Ensure and make comprehensive the data selection with -# respect to species activity calculations, from the literature -# survey up to the extrapolation at the standard state. NEA TDB -# guidelines are currently applied here for consistency with the -# recommended values from this project; +# formation of O2 from H2O +# 2H2O = O2 + 4H+ + 4e- # -# - Give relevant data sets for numerical applications under high -# ionic strength conditions. Modelling exercises are addressed to -# natural systems or material behaviour, which require large number of -# chemical equilibria. It is then needed to complete thermodynamic -# functions and SIT coefficients, in comparison to data sets available -# in literature. -# -# Data gaps for estabilty, entropy/enthalpy and SIT coefficients have -# been filled in by estimations. More detailed information about some -# of the methodologies used for data estimation can be found in the -# following references. Three main estimation methods have been -# followed for SIT interaction coefficients: a) by analogy to similar -# compounds, b) by correlation with "epsilon" of the same complex but -# with other ionic media (nitrate or perchlorate) and c) by using the -# approach of (Ciavatta, L.. (1990) The specific interaction theory -# in equilibrium analysis. Some empirical rules for estimating -# interaction coefficients of metal ion complexes. Annali di Chimica, -# 80, 255-263). -# -# Bruno, J., Duro, L., Cera, E., Grivé, M., El Aamrani, F., Rovira, -# M. (2001) Revision of the ThermoChimie Thermodynamic Database for -# radioelements. Version A. ANDRA report C.RP. 0ENQ.01.002 211 pp. -# -# Duro, L., Grivé, M., Cera, E., And Bruno, J. (2002) Revision of the -# thermodynamic database for radioelements. Version B. Final report. -# ANDRA report C.RP.0ENQ.02-001. 352 pp. -# -# Duro, L., Cera, E., Grivé, M., Domènech, C., Gaona, X. and Bruno, -# J. (2006) Development of the ThermoChimie thermodynamic database. -# Janvier 2006. ANDRA report C.RP.0ENQ.06.0001. 373 pp. -# -# Blanc, P., Piantone, P., Lassin, A., Burnol, A. (2006) ThemoChimie: -# Sélection de constantes thermodynamiques pour les éléments -# majeours, le plom et le cadmium. ANDRA report C RP PSTR.07.0014 + Log_K_O2 + log_k -85.980 + delta_H 559.526 kJ/mol # -# Colàs, E., Montoya, V., Gaona, X., Domènech, C., Grivé, M. and -# Duro, L. (2007) Development of ThermoChimie data base. Version 6. -# up-date. ANDRA report D.RP.0ENQ.07.0001. 362 pp. -# -# Gaona X., Montoya V., Colàs E., Grivé M., Duro L.. (2008) Review of -# the complexation of tetravalent actinides by ISA and gluconate -# under alkaline to hyperalkaline conditions. Journal of Contaminant -# Hydrology 102 (2008) 217–227. -# -# Montoya, V., Tamayo, A, Gaona, X, Grivé, M and Duro, L. (2008) -# Update of the ThermoChimie database. Reporting of new data -# selection 2007 Project ANDRA-TDB6-Task 1. Amphos 21 Progress Report -# vs.01. -# -# Duro L, Grivé M., Gaona X., Tamayo A (2009). Review and assessment -# of enthalpy data: procedures for data estimation and final data -# selection for solid compounds. December 2009. Project ANDRA- TDB6- -# Task2. v01. Amphos 21 internal report. -# -# Grivé M., Riba O., Montoya V. and Duro L. (2009) Update of the -# ThermoChimie database: Reporting of new data selection 2009. -# November 2009 Project ANDRA-TDB6-Task1. -# -# Grivé M., Riba O., Montoya V. and Duro L. (2010) Update of the -# ThermoChimie database: Reporting of new data selection 2010. -# June 2010 -# -# -# -# This version has to be periodically up-dated and tested. Kindly -# send comments or corrections to thermochimie@amphos21.com + -analytic 1.20446E+1 0E+0 -2.9226E+4 0E+0 0E+0 + SOLUTION_MASTER_SPECIES #element species alk gfw_formula element_gfw -Acetate Acetate- 0 Acetate 59.01 -Ag Ag+ 0 Ag 107.8682 -Al Al+3 0 Al 26.9815 -Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05 -Am Am+3 0 Am 243 -Am(+2) Am+2 0 Am 243 -Am(+3) Am+3 0 Am 243 -Am(+4) Am+4 0 Am 243 -Am(+5) AmO2+ 0 Am 243 -Am(+6) AmO2+2 0 Am 243 -As AsO4-3 2 As 74.9216 -As(+5) AsO4-3 2 As 74.9216 -As(+3) H(AsO3)-2 2 As 74.9216 -B B(OH)4- 1 B 10.811 -Ba Ba+2 0 Ba 137.327 -Br Br- 0 Br 79.904 -C CO3-2 2 CO3 12.011 -C(+4) CO3-2 2 CO3 12.011 -C(-4) CH4 0 CH4 12.011 -Ca Ca+2 0 Ca 40.078 -Cd Cd+2 0 Cd 112.411 -Cit Cit-3 0 Cit 189.1013 -Cl Cl- 0 Cl 35.4527 -Cm Cm+3 0 Cm 247 -Cn Cn- 0 Cn 26.018 -Co Co+2 0 Co 58.9332 -Cr CrO4-2 0 CrO4 51.9961 -Cr(+2) Cr+2 0 Cr 51.9961 -Cr(+3) Cr+3 -1 Cr 51.9961 -Cr(+6) CrO4-2 1 CrO4 51.9961 -Cs Cs+ 0 Cs 132.9054 -Cu Cu+2 0 Cu 63.546 -Cu(+1) Cu+ 0 Cu 63.546 -Cu(+2) Cu+2 0 Cu 63.546 -E e- 0 0 -Edta Edta-4 0 Edta 288.2134 -Eu Eu+3 0 Eu 151.965 -Eu(+2) Eu+2 0 Eu 151.965 -Eu(+3) Eu+3 0 Eu 151.965 -F F- 0 F 18.9984 -Fe Fe+2 0 Fe 55.847 -Fe(+2) Fe+2 0 Fe 55.847 -Fe(+3) Fe+3 0 Fe 55.847 -Glu HGlu- 0 Glu 195.1459 -H H+ -1 H 1.0079 -H(+1) H+ -1 H 1.0079 -H(0) H2 0 H 1.0079 -Hf Hf+4 -4 Hf 178.49 -Hg Hg+2 0 Hg 200.59 -Hg(+2) Hg+2 0 Hg 200.59 -Hg(+1) Hg2+2 0 Hg2 200.59 -Ho Ho+3 0 Ho 164.9303 -I I- 0 I 126.9045 -I(+5) IO3- 0 I 126.9045 -I(-1) I- 0 I 126.9045 -Isa HIsa- 0 HIsa 180.1548 -K K+ 0 K 39.0983 -Li Li+ 0 Li 6.941 -Mg Mg+2 0 Mg 24.305 -Mn Mn+2 0 Mn 54.938 -Mo MoO4-2 0 Mo 95.94 -N NO3- 0 N 14.0067 -N(+5) NO3- 0 N 14.0067 -N(-3) NH3 1 N 14.0067 -Na Na+ 0 Na 22.9898 -Nb Nb(OH)6- 0 Nb 92.9064 -Ni Ni+2 0 Ni 58.69 -Np NpO2+2 0 Np 237.048 -Np(+3) Np+3 0 Np 237.048 -Np(+4) Np+4 0 Np 237.048 -Np(+5) NpO2+ 0 Np 237.048 -Np(+6) NpO2+2 0 Np 237.048 -Nta Nta-3 0 Nta 188.1165 -O H2O 0 O 15.999 -O(0) O2 0 O 15.9994 -O(-2) H2O 0 O 15.9994 -Ox Ox-2 0 Ox 88.0196 -P H2(PO4)- 1 P 30.9738 -Pa Pa+4 0 Pa 231.0359 -Pa(+4) Pa+4 0 Pa 231.0359 -Pa(+5) PaO2+ 0 Pa 231.0359 -Pb Pb+2 0 Pb 207.2 -Pd Pd+2 -2 Pd 106.42 -Phthalat Phthalat-2 0 Phthalat 164.084 -Pu PuO2+2 0 Pu 244 -Pu(+3) Pu+3 0 Pu 244 -Pu(+4) Pu+4 0 Pu 244 -Pu(+5) PuO2+ 0 Pu 244 -Pu(+6) PuO2+2 0 Pu 244 -Pyrophos Pyrophos-4 0 Pyrophos 173.95 -Ra Ra+2 0 Ra 226.025 -Rb Rb+ 0 Rb 85.4678 -S SO4-2 0 SO4 32.066 -S(+2) S2O3-2 0 S 32.066 -S(+3) S2O4-2 0 S2O4-2 128.128 -S(+4) SO3-2 0 S 32.066 -S(+6) SO4-2 0 SO4 32.066 -S(-2) HS- 1 S 32.066 -Sb Sb(OH)3 0 Sb 121.76 -Sb(+3) Sb(OH)3 0 Sb 121.76 -Sb(+5) Sb(OH)5 0 Sb 121.76 -Scn Scn- 0 Scn 58.084 -Se SeO4-2 0 Se 78.96 -Se(+4) SeO3-2 0 Se 78.96 -Se(+6) SeO4-2 0 Se 78.96 -Se(-2) HSe- 0 Se 78.96 -Si H4(SiO4) 0 Si 28.0855 -Sm Sm+3 0 Sm 150.36 -Sn Sn+2 -1 Sn 118.71 -Sn(+2) Sn+2 -1 Sn 118.71 -Sn(+4) Sn+4 -4 Sn 118.71 -Sr Sr+2 0 Sr 87.62 -Tc TcO(OH)2 0 Tc 98 -Tc(+4) TcO(OH)2 0 Tc 98 -Tc(+6) TcO4-2 0 Tc 98 -Tc(+7) TcO4- 0 Tc 98 -Th Th+4 -3 Th 232.0381 -U UO2+2 0 U 238.0289 -U(+3) U+3 0 U 238.0289 -U(+4) U+4 0 U 238.0289 -U(+5) UO2+ 0 U 238.0289 -U(+6) UO2+2 0 U 238.0289 -Zn Zn+2 0 Zn 65.39 -Zr Zr+4 -4 Zr 91.22 +E e- 0 0 0 +Acetate Acetate- 0 Acetate 59.01 +Adipate Adipate-2 0 Adipate 144.07 +Ag Ag+ 0 Ag 107.8682 +Al Al+3 0 Al 26.9815 +Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05 +Am Am+3 0 Am 243 +Am(+2) Am+2 0 Am 243 +Am(+3) Am+3 0 Am 243 +Am(+4) Am+4 0 Am 243 +Am(+5) AmO2+ 0 Am 243 +Am(+6) AmO2+2 0 Am 243 +As AsO4-3 0 As 74.9216 +As(+3) H3(AsO3) 0 As 74.9216 +As(+5) AsO4-3 2 As 74.9216 +B B(OH)4- 1 B 10.811 +Ba Ba+2 0 Ba 137.327 +Br Br- 0 Br 79.904 +C CO3-2 2 CO3 12.011 +C(+4) CO3-2 2 CO3 12.011 +C(-4) CH4 0 CH4 12.011 +Ca Ca+2 0 Ca 40.078 +Cd Cd+2 0 Cd 112.411 +Cit Cit-3 0 Cit 189.1013 +Cl Cl- 0 Cl 35.4527 +Cm Cm+3 0 Cm 247 +Cn Cn- 0 Cn 26.018 +Co Co+2 0 Co 58.9332 +Cr CrO4-2 0 CrO4 51.9961 +Cr(+2) Cr+2 0 Cr 51.9961 +Cr(+3) Cr+3 -1 Cr 51.9961 +Cr(+6) CrO4-2 1 CrO4 51.9961 +Cs Cs+ 0 Cs 132.9054 +Cu Cu+2 0 Cu 63.546 +Cu(+1) Cu+ 0 Cu 63.546 +Cu(+2) Cu+2 0 Cu 63.546 +Edta Edta-4 0 Edta 288.2134 +Eu Eu+3 0 Eu 151.965 +Eu(+2) Eu+2 0 Eu 151.965 +Eu(+3) Eu+3 0 Eu 151.965 +F F- 0 F 18.9984 +Fe Fe+2 0 Fe 55.847 +Fe(+2) Fe+2 0 Fe 55.847 +Fe(+3) Fe+3 0 Fe 55.847 +Glu HGlu- 0 Glu 195.1459 +H H+ -1 H 1.0079 +H(+1) H+ -1 H 1.0079 +H(0) H2 0 H 1.0079 +Hf Hf+4 -4 Hf 178.49 +Hg Hg+2 0 Hg 200.59 +Hg(+2) Hg+2 0 Hg 200.59 +Hg2(+2) Hg2+2 0 Hg2 401.18 +Ho Ho+3 0 Ho 164.9303 +I I- 0 I 126.9045 +I(+5) IO3- 0 I 126.9045 +I(-1) I- 0 I 126.9045 +Isa HIsa- 0 HIsa 180.1548 +K K+ 0 K 39.0983 +Li Li+ 0 Li 6.941 +Mg Mg+2 0 Mg 24.305 +Mn Mn+2 0 Mn 54.938 +Mo MoO4-2 0 Mo 95.94 +N NO3- 0 N 14.0067 +N(+5) NO3- 0 N 14.0067 +N(-3) NH3 1 N 14.0067 +Na Na+ 0 Na 22.9898 +Nb Nb(OH)6- 0 Nb 92.9064 +Ni Ni+2 0 Ni 58.69 +Np NpO2+2 0 Np 237.048 +Np(+3) Np+3 0 Np 237.048 +Np(+4) Np+4 0 Np 237.048 +Np(+5) NpO2+ 0 Np 237.048 +Np(+6) NpO2+2 0 Np 237.048 +Nta Nta-3 0 Nta 188.1165 +O H2O 0 O 15.999 +O(0) O2 0 O 15.9994 +O(-2) H2O 0 O 15.9994 +Ox Ox-2 0 Ox 88.0196 +P H2(PO4)- 1 P 30.9738 +Pa Pa+4 0 Pa 231.0359 +Pa(+4) Pa+4 0 Pa 231.0359 +Pa(+5) PaO2+ 0 Pa 231.0359 +Pb Pb+2 0 Pb 207.2 +Pd Pd+2 -2 Pd 106.42 +Phthalat Phthalat-2 0 Phthalat 164.084 +Pu PuO2+2 0 Pu 244 +Pu(+3) Pu+3 0 Pu 244 +Pu(+4) Pu+4 0 Pu 244 +Pu(+5) PuO2+ 0 Pu 244 +Pu(+6) PuO2+2 0 Pu 244 +Pyrophos Pyrophos-4 0 Pyrophos 173.95 +Ra Ra+2 0 Ra 226.025 +Rb Rb+ 0 Rb 85.4678 +S SO4-2 0 SO4 32.066 +S(+2) S2O3-2 0 S 32.066 +S(+3) S2O4-2 0 S2O4-2 128.128 +S(+4) SO3-2 0 S 32.066 +S(+6) SO4-2 0 SO4 32.066 +S(-2) HS- 1 S 32.066 +Sb Sb(OH)3 0 Sb 121.76 +Sb(+3) Sb(OH)3 0 Sb 121.76 +Sb(+5) Sb(OH)5 0 Sb 121.76 +Scn Scn- 0 Scn 58.084 +Se SeO4-2 0 Se 78.96 +Se(+4) SeO3-2 0 Se 78.96 +Se(+6) SeO4-2 0 Se 78.96 +Se(-2) HSe- 0 Se 78.96 +Si H4(SiO4) 0 Si 28.0855 +Sm Sm+3 0 Sm 150.36 +Sn Sn+2 -1 Sn 118.71 +Sn(+2) Sn+2 -1 Sn 118.71 +Sn(+4) Sn+4 -4 Sn 118.71 +Sr Sr+2 0 Sr 87.62 +Tc TcO(OH)2 0 Tc 98 +Tc(+4) TcO(OH)2 0 Tc 98 +Tc(+6) TcO4-2 0 Tc 98 +Tc(+7) TcO4- 0 Tc 98 +Th Th+4 -3 Th 232.0381 +U UO2+2 0 U 238.0289 +U(+3) U+3 0 U 238.0289 +U(+4) U+4 0 U 238.0289 +U(+5) UO2+ 0 U 238.0289 +U(+6) UO2+2 0 U 238.0289 +Zn Zn+2 0 Zn 65.39 +Zr Zr+4 -4 Zr 91.22 + SIT -epsilon -(NpO2)2(OH)2+2 Cl- -0.248 -(NpO2)2(OH)2+2 ClO4- 0.57 -(NpO2)3(OH)5+ Cl- -0.226 -(NpO2)3(OH)5+ ClO4- 0.45 -PuO2(OH)+ Cl- -0.003 -(PuO2)2(OH)2+2 Cl- -0.248 -PuO2Cl+ Cl- 0.318 -(UO2)2(OH)2+2 Cl- 0.69 -(UO2)2(OH)2+2 ClO4- 0.57 -(UO2)2(OH)2+2 NO3- 0.49 -(UO2)3(OH)4+2 Cl- 0.5 -(UO2)3(OH)5+ Cl- 0.81 -Ag+ Cl- 0.031 -Al(OH)+2 Cl- 0.09 -Al(OH)2+ Cl- 0.09 -Al+3 Cl- 0.33 -Am(CO3)+ Cl- 0.129 -Am(CO3)+ ClO4- 0.17 -Am(H2PO4)+2 Cl- 0.191 -Am(H2PO4)+2 ClO4- 0.39 -Am(NO3)+2 Cl- 0.191 -Am(NO3)+2 ClO4- 0.39 -Am(OH)+2 Cl- -0.04 -Am(OH)+2 ClO4- 0.39 -Am(OH)2+ Cl- -0.29 -Am(OH)2+ ClO4- 0.17 -Am(Ox)+ ClO4- 0.08 -Am(SO4)+ Cl- 0.157 -Am(SO4)+ ClO4- 0.22 -Am+3 Cl- 0.23 -Am+3 ClO4- 0.49 -AmCl+2 Cl- 0.191 -AmCl2+ Cl- 0.129 -AmF+2 Cl- 0.191 -AmF+2 ClO4- 0.39 -AmF2+ Cl- 0.129 -AmF2+ ClO4- 0.17 -AmO2+ Cl- 0.09 -AmO2+2 Cl- 0.39 -Ba+2 Cl- 0.07 -Ba+2 ClO4- 0.15 -Ba+2 NO3- -0.28 -Ca+2 Cl- 0.14 -Ca+2 ClO4- 0.27 -Ca+2 NO3- 0.02 -Ca4Th(OH)8+4 Cl- -0.01 -Ca4Th(OH)8+4 ClO4- 0.21 -Cd(HCO3)+ Cl- 0.2 -Cd+2 Cl- 0.16 -Cd+2 ClO4- 0.09 -CdCl+ Cl- 0.127 -CdCl+ ClO4- 0.25 -CdI+ Cl- 0.136 -CdI+ ClO4- 0.27 -Cm(H2PO4)+2 Cl- 0.191 -Cm(H2PO4)+2 ClO4- 0.39 -Cm(OH)+2 Cl- -0.04 -Cm(OH)+2 ClO4- 0.39 -Cm(OH)2+ Cl- -0.27 -Cm(OH)2+ ClO4- 0.17 -Cm+3 Cl- 0.23 -Cm+3 ClO4- 0.49 -CmCl+2 Cl- 0.191 -CmCl+2 ClO4- 0.39 -CmCl2+ Cl- 0.129 -CmCO3+ Cl- 0.35 -CmF+2 ClO4- 0.39 -CmF2+ ClO4- 0.17 -CmNO3+2 ClO4- 0.39 -CmSO4+ Cl- 0.157 -CmSO4+ ClO4- 0.22 -Co+2 Cl- 0.16 -Co+2 ClO4- 0.34 -Co+2 NO3- 0.14 -Cr+3 Cl- 0.30 -Cr+3 ClO4- 0.27 -Cu+ ClO4- 0.11 -Cu+2 Cl- 0.08 -Cu+2 ClO4- 0.32 -Cu+2 NO3- 0.11 -Eu(CO3)+ Cl- 0.129 -Eu(CO3)+ ClO4- 0.17 -Eu(H2PO4)+2 Cl- 0.191 -Eu(H2PO4)+2 ClO4- 0.39 -Eu(NO3)+2 Cl- 0.191 -Eu(NO3)+2 ClO4- 0.39 -Eu(OH)+2 Cl- -0.04 -Eu(OH)+2 ClO4- 0.39 -Eu(OH)2+ Cl- -0.29 -Eu(OH)2+ ClO4- 0.17 -Eu(SO4)+ Cl- 0.157 -Eu(SO4)+ ClO4- 0.22 -Eu+3 Cl- 0.23 -Eu+3 ClO4- 0.49 -EuCl+2 Cl- 0.191 -EuCl+2 ClO4- 0.39 -EuCl2+ Cl- 0.129 -EuF+2 Cl- 0.191 -EuF2+ Cl- 0.129 -Fe+3 ClO4- 0.56 -Fe+3 NO3- 0.42 -Fe(OH)+2 Cl- 0.186 -H+ Cl- 0.12 -H+ ClO4- 0.14 -H+ NO3- 0.07 -H5(Edta)+ Cl- -0.23 -H5(Edta)+ ClO4- -0.23 -H5(Edta)+ NO3- -0.23 -H6(Edta)+2 Cl- -0.20 -H6(Edta)+2 ClO4- -0.20 -H6(Edta)+2 NO3- -0.20 -Hf(NO3)2+2 ClO4- 0.84 -Hf(OH)+3 ClO4- 0.57 -Hf+4 Cl- 0.89 -Hf+4 ClO4- 0.89 -Hf+4 NO3- 0.89 -HfCl+3 ClO4- 0.87 -HfCl2+2 ClO4- 0.84 -HfF+3 ClO4- 0.63 -HfF2+2 ClO4- 0.47 -HfNO3+3 ClO4- 0.91 -Hg+2 Cl- 0.168 -Hg2+2 Cl- 0.054 -Ho(CO3)+ Cl- 0.129 -Ho(CO3)+ ClO4- 0.17 -Ho(H2PO4)+2 Cl- 0.191 -Ho(H2PO4)+2 ClO4- 0.39 -Ho(NO3)+2 Cl- 0.191 -Ho(NO3)+2 ClO4- 0.39 -Ho(OH)+2 Cl- -0.04 -Ho(OH)+2 ClO4- 0.39 -Ho(OH)2+ Cl- -0.29 -Ho(OH)2+ ClO4- 0.17 -Ho(SO4)+ Cl- 0.157 -Ho(SO4)+ ClO4- 0.22 -Ho+3 Cl- 0.23 -Ho+3 ClO4- 0.49 -HoCl+2 Cl- 0.191 -HoCl+2 ClO4- 0.39 -HoCl2+ Cl- 0.129 -HoF+2 Cl- 0.191 -HoF+2 ClO4- 0.39 -HoF2+ Cl- 0.129 -HoF2+ ClO4- 0.17 -K+ Cl- 0.00 -K+ NO3- -0.11 -Li+ Cl- 0.1 -Li+ ClO4- 0.15 -Li+ NO3- 0.08 -Mg+2 Cl- 0.19 -Mg+2 ClO4- 0.33 -Mg+2 NO3- 0.17 -Mn+2 Cl- 0.13 -Na+ Cl- 0.03 -Na+ ClO4- 0.01 -Na+ NO3- -0.04 -NH4+ Cl- -0.01 -NH4+ ClO4- -0.08 -NH4+ NO3- -0.06 -Ni(HCO3)+ Cl- 0.085 -Ni(NO3)+ Cl- 0.06 -Ni(NO3)+ ClO4- 0.44 -Ni(OH)+ Cl- -0.01 -Ni(OH)+ ClO4- 0.14 -Ni(Scn)+ Cl- 0.11 -Ni(Scn)+ ClO4- 0.31 -Ni+2 Cl- 0.17 -Ni+2 ClO4- 0.37 -Ni+2 NO3- 0.182 -Ni4(OH)4+4 ClO4- 1.08 -NiCl+ Cl- 0.1 -NiCl+ ClO4- 0.34 -NiF+ Cl- 0.065 -NiF+ ClO4- 0.34 -NiHS+ ClO4- -0.85 -Np(CO3)+ Cl- 0.129 -Np(CO3)+ ClO4- 0.17 -Np(NO3)+3 ClO4- 0.71 -Np(OH)+2 Cl- -0.04 -Np(OH)+2 ClO4- 0.39 -Np(OH)+3 Cl- 0.2 -Np(OH)+3 ClO4- 0.5 -Np(OH)2+ Cl- -0.29 -Np(OH)2+ ClO4- 0.17 -Np(OH)2+2 Cl- 0.1 -Np(OH)3+ Cl- 0.05 -Np(SO4)+ Cl- 0.157 -Np(SO4)+ ClO4- 0.22 -Np(SO4)+2 Cl- 0.232 -Np(SO4)+2 ClO4- 0.48 -Np+3 Cl- 0.23 -Np+3 ClO4- 0.49 -Np+4 Cl- 0.4 -Np+4 ClO4- 0.84 -NpCl+3 ClO4- 0.81 -NpF+3 ClO4- 0.58 -NpF2+2 Cl- 0.186 -NpF2+2 ClO4- 0.38 -NpF3+ Cl- 0.1 -NpI+3 ClO4- 0.77 -NpO2(NO3)+ Cl- 0.22 -NpO2(OH)+ Cl- -0.003 -NpO2(OH)+ ClO4- -0.06 -NpO2+ Cl- 0.09 -NpO2+ ClO4- 0.25 -NpO2+2 Cl- 0.223 -NpO2+2 ClO4- 0.46 -NpO2Cl+ Cl- 0.318 -NpO2Cl+ ClO4- 0.5 -NpO2F+ Cl- 0.197 -NpO2F+ ClO4- 0.29 -Pa+4 Cl- 0.3 -PaO(OH)+2 Cl- 0.13 -Pb+2 Cl- 0.081 -Pb+2 ClO4- 0.15 -Pb+2 NO3- -0.2 -PbF+ Cl- 0.14 -Pd+2 Cl- 0.16 -PdBr+ Cl- 0.175 -PdCl+ Cl- 0.175 -Pu(CO3)+ Cl- 0.129 -Pu(CO3)+ ClO4- 0.17 -Pu(NO3)+2 Cl- 0.191 -Pu(NO3)+2 ClO4- 0.39 -Pu(NO3)+3 ClO4- 0.59 -Pu(OH)+2 Cl- -0.04 -Pu(OH)+2 ClO4- 0.39 -Pu(OH)+3 Cl- 0.2 -Pu(OH)+3 ClO4- 0.5 -Pu(OH)2+ Cl- -0.29 -Pu(OH)2+ ClO4- 0.17 -Pu(OH)2+2 Cl- 0.1 -Pu(OH)3+ Cl- 0.05 -Pu(SO4)+ Cl- 0.157 -Pu(SO4)+ ClO4- 0.22 -Pu(SO4)+2 Cl- 0.232 -Pu(SO4)+2 ClO4- 0.36 -Pu+3 Cl- 0.23 -Pu+3 ClO4- 0.49 -Pu+4 Cl- 0.37 -Pu+4 ClO4- 0.82 -PuBr+3 Cl- 0.1 -PuBr+3 ClO4- 0.58 -PuCl+3 Cl- 0.1 -PuCl+3 ClO4- 0.85 -PuF+3 Cl- 0.1 -PuF+3 ClO4- 0.56 -PuF2+2 Cl- 0.177 -PuF2+2 ClO4- 0.36 -PuF3+ Cl- 0.1 -PuI+2 Cl- 0.191 -PuI+2 ClO4- 0.39 -PuI+3 Cl- 0.1 -PuO2+ Cl- 0.129 -PuO2+ ClO4- 0.24 -PuO2+2 Cl- 0.223 -PuO2+2 ClO4- 0.46 -PuO2Cl+ ClO4- 0.5 -PuO2F+ Cl- 0.197 -PuO2F+ ClO4- 0.29 -PuO2NO3+ Cl- 0.22 -Sm(CO3)+ Cl- 0.129 -Sm(CO3)+ ClO4- 0.17 -Sm(H2PO4)+2 Cl- 0.191 -Sm(H2PO4)+2 ClO4- 0.39 -Sm(NO3)+2 Cl- 0.191 -Sm(NO3)+2 ClO4- 0.39 -Sm(OH)+2 Cl- -0.04 -Sm(OH)+2 ClO4- 0.39 -Sm(OH)2+ Cl- -0.29 -Sm(OH)2+ ClO4- 0.17 -Sm(SO4)+ Cl- 0.157 -Sm(SO4)+ ClO4- 0.22 -Sm+3 Cl- 0.23 -Sm+3 ClO4- 0.49 -SmCl+2 Cl- 0.191 -SmCl+2 ClO4- 0.39 -SmF+2 Cl- 0.191 -SmF+2 ClO4- 0.39 -Sn(OH)+ Cl- 0.2 -Sn+2 Cl- 0.26 -Th(H2PO4)+3 ClO4- 0.5 -Th(H2PO4)2+2 ClO4- 0.4 -Th(H3PO4)(H2PO4)+3 ClO4- 0.5 -Th(H3PO4)+4 ClO4- 0.7 -Th(NO3)+3 ClO4- 0.56 -Th(NO3)+3 NO3- 0.56 -Th(NO3)2+2 ClO4- 0.43 -Th(NO3)2+2 NO3- 0.43 -Th(OH)+3 Cl- 0.19 -Th(OH)+3 ClO4- 0.48 -Th(OH)+3 NO3- 0.2 -Th(OH)2+2 Cl- 0.13 -Th(OH)2+2 ClO4- 0.33 -Th(OH)2+2 NO3- 0.1 -Th(OH)3+ Cl- 0.06 -Th(OH)3+ ClO4- 0.15 -Th(OH)3+ NO3- 0.05 -Th(SO4)+2 Cl- 0.14 -Th(SO4)+2 ClO4- 0.3 -Th+4 Cl- 0.7 -Th+4 ClO4- 0.7 -Th+4 NO3- 0.7 -Th2(OH)2+6 Cl- 0.4 -Th2(OH)2+6 ClO4- 1.22 -Th2(OH)2+6 NO3- 0.69 -Th2(OH)3+5 Cl- 0.29 -Th2(OH)3+5 ClO4- 0.91 -Th2(OH)3+5 NO3- 0.69 -Th4(OH)12+4 Cl- 0.25 -Th4(OH)12+4 ClO4- 0.56 -Th4(OH)12+4 NO3- 0.42 -Th4(OH)8+8 Cl- 0.7 -Th4(OH)8+8 ClO4- 1.69 -Th4(OH)8+8 NO3- 1.59 -Th6(OH)14+10 Cl- 0.83 -Th6(OH)14+10 ClO4- 2.2 -Th6(OH)14+10 NO3- 2.9 -Th6(OH)15+9 Cl- 0.72 -Th6(OH)15+9 ClO4- 1.85 -Th6(OH)15+9 NO3- 2.2 -ThCl+3 Cl- 0.62 -ThCl+3 ClO4- 0.62 -ThF+3 ClO4- 0.48 -ThF+3 NO3- 0.25 -ThF2+2 ClO4- 0.3 -ThF2+2 NO3- 0.15 -ThF3+ ClO4- 0.1 -ThF3+ NO3- 0.0 -U(NO3)+3 ClO4- 0.62 -U(NO3)2+2 Cl- 0.236 -U(NO3)2+2 ClO4- 0.49 -U(OH)+3 Cl- 0.2 -U(OH)+3 ClO4- 0.48 -U(OH)2+2 Cl- 0.1 -U(OH)3+ Cl- 0.05 -U(SO4)+2 Cl- 0.149 -U(SO4)+2 ClO4- 0.3 -U+3 Cl- 0.23 -U+3 ClO4- 0.49 -U+4 Cl- 0.36 -U+4 ClO4- 0.76 -UBr+3 ClO4- 0.52 -UCl+3 Cl- 0.1 -UCl+3 ClO4- 0.5 -UF+3 Cl- 0.1 -UF+3 ClO4- 0.48 -UF2+2 Cl- 0.149 -UF2+2 ClO4- 0.3 -UF3+ Cl- 0.1 -UF3+ ClO4- 0.1 -UI+3 ClO4- 0.55 -UI+3 NO3- 0.56 -UO2(NO3)+ Cl- 0.22 -UO2(NO3)+ ClO4- 0.33 -UO2(OH)+ Cl- -0.003 -UO2(OH)+ ClO4- -0.06 -UO2(OH)+ NO3- 0.51 -UO2+ Cl- 0.18 -UO2+ ClO4- 0.26 -UO2+2 Cl- 0.46 -UO2+2 ClO4- 0.46 -UO2+2 NO3- 0.46 -UO2Br+ Cl- 0.169 -UO2Br+ ClO4- 0.24 -UO2Cl+ Cl- 0.22 -UO2Cl+ ClO4- 0.33 -UO2F+ Cl- 0.04 -UO2F+ ClO4- 0.28 -Zn+2 Cl- 0.163 -Zn+2 ClO4- 0.33 -Zn+2 NO3- 0.16 -Zr(NO3)2+2 ClO4- 0.84 -Zr(OH)+3 ClO4- 0.57 -Zr(OH)2+2 ClO4- 0.62 -Zr+4 Cl- 0.89 -Zr+4 ClO4- 0.89 -Zr+4 NO3- 0.89 -Zr4(OH)15+ ClO4- 0.09 -ZrCl+3 ClO4- 0.87 -ZrCl2+2 ClO4- 0.84 -ZrF+3 ClO4- 0.63 -ZrF2+2 ClO4- 0.47 -ZrNO3+3 ClO4- 0.88 -(NpO2)2CO3(OH)3- Na+ 0 -(NpO2)3(CO3)6-6 Na+ -0.46 -(PuO2)3(CO3)6-6 Na+ -0.46 -(UO2)2(CO3)(OH)3- Na+ 0 -(UO2)2(NpO2)(CO3)6-6 Na+ 0.09 -(UO2)3(CO3)6-6 Na+ 0.37 -Ag(SeO3)- Na+ -0.024 -Am(CO3)2- Na+ -0.14 -Am(CO3)3-3 Na+ -0.23 -Am(CO3)5-6 Na+ -0.3 -Am(Edta)- Na+ 0.01 -Am(Ox)2- Na+ -0.21 -Am(Ox)3-3 Na+ -0.23 -Am(SO4)2- Na+ -0.05 -AmO2(CO3)- Na+ -0.18 -AmO2(CO3)2-3 Na+ -0.33 -AmO2(CO3)3-5 Na+ -0.53 -B(OH)4- Na+ -0.07 -Br- Na+ 0.05 -Ca(Ox)2-2 Na+ -0.15 -Cit-3 Na+ -0.076 -Cm(CO3)2- Na+ 0.34 -Cm(CO3)3-3 Na+ 0.16 -Cm(SO4)2- Na+ -0.05 -Cn- Na+ 0.07 -CO3-2 Na+ -0.08 -Edta-4 Na+ 0.32 -Eu(CO3)2- Na+ -0.14 -Eu(CO3)3-3 Na+ -0.23 -Eu(SO4)2- Na+ -0.05 -F- Na+ 0.02 -H(Cit)-2 Na+ -0.04 -H(Edta)-3 Na+ -0.10 -H(Ox)- Na+ -0.07 -H(SeO3)- Na+ 0.02 -H(SeO4)- Na+ 0 -H(SO4)- Na+ -0.01 -H2(Cit)- Na+ -0.05 -H2(Edta)-2 Na+ -0.37 -H2(PO4)- Na+ -0.08 -H2(SiO4)-2 Na+ -0.1 -H3(Edta)- Na+ -0.33 -H3(SiO4)- Na+ -0.08 -HCO3- Na+ 0.00 -Hg(SeO3)2-2 Na+ 0.008 -HGlu- Na+ -0.07 -HIsa- Na+ -0.07 -HMoO4- Na+ -0.099 -Ho(CO3)2- Na+ -0.14 -Ho(CO3)3-3 Na+ -0.23 -Ho(SO4)2- Na+ -0.05 -HPO4-2 Na+ -0.15 -I- Na+ 0.08 -IO3- Na+ -0.06 -Mg(Cit)- Na+ 0.03 -Mg(Edta)-2 Na+ -0.01 -Mg(HEdta)- Na+ 0.11 -Mg(Ox)2-2 Na+ -0.15 -Mo7O21(OH)3-3 Na+ -1.455 -Mo7O22(OH)2-4 Na+ -1.346 -Mo7O23(OH)-5 Na+ -1.145 -Mo7O24-6 Na+ -1.265 -MoO4-2 Na+ 0.034 -Ni(Cit)- Na+ 0.22 -Ni(Cn)4-2 Na+ 0.185 -Ni(Cn)5-3 Na+ 0.25 -Ni(CO3)2-2 Na+ 0.003 -Ni(OH)3- Na+ 0.88 -Ni(Scn)3- Na+ 0.66 -Ni(SO4)2-2 Na+ -0.263 -NO3- Na+ -0.04 -Np(CO3)(OH)3- Na+ -0.11 -Np(CO3)2- Na+ -0.14 -Np(CO3)3-3 Na+ -0.23 -Np(CO3)4-4 Na+ -0.09 -Np(CO3)5-6 Na+ 0 -Np(OH)4(CO3)-2 Na+ -0.13 -Np(SO4)2- Na+ -0.05 -NpO2(Cit)-2 Na+ -0.06 -NpO2(CO3)- Na+ -0.18 -NpO2(CO3)2-2 Na+ -0.02 -NpO2(CO3)2-3 Na+ -0.33 -NpO2(CO3)2OH-4 Na+ -0.4 -NpO2(CO3)3-4 Na+ -0.4 -NpO2(CO3)3-5 Na+ -0.53 -NpO2(Edta)-3 Na+ 0.2 -NpO2(H2Edta)- Na+ -0.18 -NpO2(HEdta)-2 Na+ 0.07 -NpO2(HPO4)2-2 Na+ -0.1 -NpO2(OH)2- Na+ -0.01 -NpO2(Ox)- Na+ -0.4 -NpO2(Ox)2-3 Na+ -0.3 -NpO2(SO4)- Na+ -0.74 -NpO2(SO4)2-2 Na+ -0.12 -OH- Na+ 0.04 -OH- K+ 0.09 -Ox-2 Na+ -0.08 -Pb(OH)3- Na+ 0.02 -Pb(SO4)2-2 Na+ -0.52 -Pd(SO4)2-2 Na+ -0.12 -PdBr3- Na+ 0 -PdBr4-2 Na+ 0.1 -PdCl3- Na+ 0 -PdCl4-2 Na+ 0.1 -PO4-3 Na+ -0.25 -Pu(CO3)2- Na+ -0.14 -Pu(CO3)3-3 Na+ -0.23 -Pu(CO3)4-4 Na+ -0.09 -Pu(CO3)5-6 Na+ 0 -Pu(SO4)2- Na+ -0.05 -PuO2(CO3)2-2 Na+ -0.7 -PuO2(CO3)3-4 Na+ -0.2 -PuO2(CO3)3-5 Na+ -0.53 -PuO2(SO4)- Na+ -0.74 -PuO2(SO4)2-2 Na+ -0.12 -PuO2CO3- Na+ -0.18 -PuO2F3- Na+ 0 -Scn- Na+ 0.05 -SeO3-2 Na+ -0.08 -SeO4-2 Na+ -0.12 -Si2O2(OH)5- Na+ -0.08 -Si2O3(OH)4-2 Na+ -0.15 -Si3O5(OH)5-3 Na+ -0.25 -Si3O6(OH)3-3 Na+ -0.25 -Si4O7(OH)5-3 Na+ -0.25 -Sm(CO3)2- Na+ -0.14 -Sm(CO3)3-3 Na+ -0.23 -Sm(SO4)2- Na+ -0.05 -Sn(OH)3- Na+ 0.33 -SnBr3- Na+ -0.04 -SnCl3- Na+ -0.36 -SO3-2 Na+ -0.08 -SO4-2 Na+ -0.12 -SO4-2 K+ -0.06 -Th(CO3)5-6 Na+ -0.3 -Th(OH)(CO3)4-5 Na+ -0.22 -Th(OH)2(CO3)2-2 Na+ -0.1 -Th(OH)3(CO3)- Na+ -0.05 -Th(OH)4(CO3)-2 Na+ -0.1 -Th(SO4)3-2 Na+ -0.091 -U(CO3)4-4 Na+ -0.09 -U(CO3)5-6 Na+ -0.3 -UO2(Cit)- Na+ -0.11 -UO2(CO3)2-2 Na+ -0.02 -UO2(CO3)3-4 Na+ -0.01 -UO2(CO3)3-5 Na+ -0.62 -UO2(OH)3- Na+ -0.09 -UO2(Ox)2-2 Na+ -0.18 -UO2(Ox)3-4 Na+ -0.01 -UO2(SO4)2-2 Na+ -0.12 -UO2F3- Na+ -0.14 -UO2F4-2 Na+ -0.3 -Zr(CO3)4-4 Na+ -0.09 -Zr(OH)6-2 Na+ -0.1 -ZrF5- Na+ -0.14 -ZrF6-2 Na+ -0.15 +(NpO2)2(OH)2+2 Cl- -0.248 +(NpO2)2(OH)2+2 ClO4- 0.57 +(NpO2)2CO3(OH)3- Na+ 0 +(NpO2)3(CO3)6-6 Na+ -0.46 +(NpO2)3(OH)5+ Cl- -0.226 +(NpO2)3(OH)5+ ClO4- 0.45 +(PuO2)2(OH)2+2 Cl- -0.248 +(PuO2)3(CO3)6-6 Na+ -0.46 +(UO2)2(CO3)(OH)3- Na+ 0 +(UO2)2(NpO2)(CO3)6-6 Na+ 0.09 +(UO2)2(OH)2+2 Cl- 0.69 +(UO2)2(OH)2+2 ClO4- 0.57 +(UO2)2(OH)2+2 NO3- 0.49 +(UO2)3(CO3)6-6 Na+ 0.37 +(UO2)3(OH)4+2 Cl- 0.5 +(UO2)3(OH)5+ Cl- 0.81 +Ag(SeO3)- Na+ -0.024 +Ag+ Cl- 0.031 +Al(OH)+2 Cl- 0.09 +Al(OH)2+ Cl- 0.09 +Al+3 Cl- 0.33 +Am(CO3)+ Cl- 0.129 +Am(CO3)+ ClO4- 0.17 +Am(CO3)2- Na+ -0.14 +Am(CO3)3-3 Na+ -0.23 +Am(CO3)5-6 Na+ -0.3 +Am(Edta)- Na+ 0.01 +Am(H2PO4)+2 Cl- 0.191 +Am(H2PO4)+2 ClO4- 0.39 +Am(NO3)+2 Cl- 0.191 +Am(NO3)+2 ClO4- 0.39 +Am(OH)+2 Cl- -0.04 +Am(OH)+2 ClO4- 0.39 +Am(OH)2+ Cl- -0.29 +Am(OH)2+ ClO4- 0.17 +Am(Ox)+ ClO4- 0.08 +Am(Ox)2- Na+ -0.21 +Am(Ox)3-3 Na+ -0.23 +Am(SO4)+ Cl- 0.157 +Am(SO4)+ ClO4- 0.22 +Am(SO4)2- Na+ -0.05 +Am+3 Cl- 0.23 +Am+3 ClO4- 0.49 +AmCl+2 Cl- 0.191 +AmCl+2 ClO4- 0.39 +AmCl2+ Cl- 0.129 +AmF+2 Cl- 0.191 +AmF+2 ClO4- 0.39 +AmF2+ Cl- 0.129 +AmF2+ ClO4- 0.17 +AmO2(CO3)- Na+ -0.18 +AmO2(CO3)2-3 Na+ -0.33 +AmO2(CO3)3-5 Na+ -0.53 +AmO2+ Cl- 0.09 +AmO2+2 Cl- 0.39 +B(OH)4- Na+ -0.07 +Ba+2 Cl- 0.07 +Ba+2 ClO4- 0.15 +Ba+2 NO3- -0.28 +Br- Na+ 0.05 +CO3-2 Na+ -0.08 +Ca+2 Cl- 0.14 +Ca+2 ClO4- 0.27 +Ca+2 NO3- 0.02 +Ca4Th(OH)8+4 Cl- -0.01 +Ca4Th(OH)8+4 ClO4- 0.21 +Cd(HCO3)+ Cl- 0.2 +Cd+2 Cl- 0.16 +Cd+2 NO3- 0.09 +CdCl+ Cl- 0.127 +CdCl+ ClO4- 0.25 +CdI+ Cl- 0.136 +CdI+ ClO4- 0.27 +Cit-3 Na+ -0.076 +Cl- Na+ 0.03 +Cm(CO3)2- Na+ 0.34 +Cm(CO3)3-3 Na+ 0.16 +Cm(H2PO4)+2 Cl- 0.191 +Cm(H2PO4)+2 ClO4- 0.39 +Cm(OH)+2 Cl- -0.04 +Cm(OH)+2 ClO4- 0.39 +Cm(OH)2+ Cl- -0.27 +Cm(OH)2+ ClO4- 0.17 +Cm(SO4)2- Na+ -0.05 +Cm+3 Cl- 0.23 +Cm+3 ClO4- 0.49 +CmCO3+ Cl- 0.35 +CmCl+2 Cl- 0.191 +CmCl+2 ClO4- 0.39 +CmCl2+ Cl- 0.129 +CmF+2 ClO4- 0.39 +CmF2+ ClO4- 0.17 +CmNO3+2 ClO4- 0.39 +CmSO4+ Cl- 0.157 +CmSO4+ ClO4- 0.22 +Cn- Na+ 0.07 +Co+2 Cl- 0.16 +Co+2 ClO4- 0.34 +Co+2 NO3- 0.14 +Cr+3 Cl- 0.3 +Cr+3 NO3- 0.27 +Cu+ ClO4- 0.11 +Cu+2 Cl- 0.08 +Cu+2 ClO4- 0.32 +Cu+2 NO3- 0.11 +Edta-4 Na+ 0.32 +Eu(CO3)+ Cl- 0.129 +Eu(CO3)+ ClO4- 0.17 +Eu(CO3)2- Na+ -0.14 +Eu(CO3)3-3 Na+ -0.23 +Eu(H2PO4)+2 Cl- 0.191 +Eu(H2PO4)+2 ClO4- 0.39 +Eu(NO3)+2 Cl- 0.191 +Eu(NO3)+2 ClO4- 0.39 +Eu(OH)+2 Cl- -0.04 +Eu(OH)+2 ClO4- 0.39 +Eu(OH)2+ Cl- -0.29 +Eu(OH)2+ ClO4- 0.17 +Eu(SO4)+ Cl- 0.157 +Eu(SO4)+ ClO4- 0.22 +Eu(SO4)2- Na+ -0.05 +Eu+3 Cl- 0.23 +Eu+3 ClO4- 0.49 +EuCl+2 Cl- 0.191 +EuCl+2 ClO4- 0.39 +EuCl2+ Cl- 0.129 +EuF+2 Cl- 0.191 +EuF2+ Cl- 0.129 +F- Na+ 0.02 +Fe(OH)+2 Cl- 0.186 +Fe+3 ClO4- 0.56 +Fe+3 NO3- 0.42 +H(Cit)-2 Na+ -0.04 +H(Edta)-3 Na+ -0.1 +H(Ox)- Na+ -0.07 +H(SO4)- Na+ -0.01 +H(SeO3)- Na+ 0.02 +H(SeO4)- Na+ 0 +H+ Cl- 0.12 +H+ ClO4- 0.14 +H+ NO3- 0.07 +H2(Cit)- Na+ -0.05 +H2(Edta)-2 Na+ -0.37 +H2(PO4)- Na+ -0.08 +H2(SiO4)-2 Na+ -0.1 +H3(Edta)- Na+ -0.33 +H3(SiO4)- Na+ -0.08 +H5(Edta)+ Cl- -0.23 +H5(Edta)+ ClO4- -0.23 +H5(Edta)+ NO3- -0.23 +H6(Edta)+2 Cl- -0.2 +H6(Edta)+2 ClO4- -0.2 +H6(Edta)+2 NO3- -0.2 +HCO3- Na+ 0 +HGlu- Na+ -0.07 +HIsa- Na+ -0.07 +HMoO4- Na+ -0.099 +HPO4-2 Na+ -0.15 +Hf(NO3)2+2 ClO4- 0.84 +Hf(OH)+3 ClO4- 0.57 +Hf+4 Cl- 0.89 +Hf+4 ClO4- 0.89 +Hf+4 NO3- 0.89 +HfCl+3 ClO4- 0.87 +HfCl2+2 ClO4- 0.84 +HfF+3 ClO4- 0.63 +HfF2+2 ClO4- 0.47 +HfNO3+3 ClO4- 0.91 +Hg(SeO3)2-2 Na+ 0.008 +Hg+2 Cl- 0.168 +Hg2+2 Cl- 0.054 +Ho(CO3)+ Cl- 0.129 +Ho(CO3)+ ClO4- 0.17 +Ho(CO3)2- Na+ -0.14 +Ho(CO3)3-3 Na+ -0.23 +Ho(H2PO4)+2 Cl- 0.191 +Ho(H2PO4)+2 ClO4- 0.39 +Ho(NO3)+2 Cl- 0.191 +Ho(NO3)+2 ClO4- 0.39 +Ho(OH)+2 Cl- -0.04 +Ho(OH)+2 ClO4- 0.39 +Ho(OH)2+ Cl- -0.29 +Ho(OH)2+ ClO4- 0.17 +Ho(SO4)+ Cl- 0.157 +Ho(SO4)+ ClO4- 0.22 +Ho(SO4)2- Na+ -0.05 +Ho+3 Cl- 0.23 +Ho+3 ClO4- 0.49 +HoCl+2 Cl- 0.191 +HoCl+2 ClO4- 0.39 +HoCl2+ Cl- 0.129 +HoF+2 Cl- 0.191 +HoF+2 ClO4- 0.39 +HoF2+ Cl- 0.129 +HoF2+ ClO4- 0.17 +I- Na+ 0.08 +IO3- Na+ -0.06 +K+ Cl- 0 +K+ NO3- -0.11 +Li+ Cl- 0.1 +Li+ ClO4- 0.15 +Li+ NO3- 0.08 +Mg(Cit)- Na+ 0.03 +Mg(Edta)-2 Na+ -0.01 +Mg(HEdta)- Na+ 0.11 +Mg(Ox)2-2 Na+ -0.15 +Mg+2 Cl- 0.19 +Mg+2 ClO4- 0.33 +Mg+2 NO3- 0.17 +Mn+2 Cl- 0.13 +Mo7O21(OH)3-3 Na+ -1.455 +Mo7O22(OH)2-4 Na+ -1.346 +Mo7O23(OH)-5 Na+ -1.145 +Mo7O24-6 Na+ -1.265 +MoO4-2 Na+ 0.034 +NH4+ Cl- -0.01 +NH4+ ClO4- -0.08 +NH4+ NO3- -0.06 +NO3- Na+ -0.04 +Na+ ClO4- 0.01 +Ni(CO3)2-2 Na+ 0.003 +Ni(Cit)- Na+ 0.22 +Ni(Cn)4-2 Na+ 0.185 +Ni(Cn)5-3 Na+ 0.25 +Ni(HCO3)+ Cl- 0.085 +Ni(NO3)+ Cl- 0.06 +Ni(NO3)+ ClO4- 0.44 +Ni(OH)+ Cl- -0.01 +Ni(OH)+ ClO4- 0.14 +Ni(OH)3- Na+ 0.88 +Ni(SO4)2-2 Na+ -0.263 +Ni(Scn)+ Cl- 0.11 +Ni(Scn)+ ClO4- 0.31 +Ni(Scn)3- Na+ 0.66 +Ni+2 Cl- 0.17 +Ni+2 ClO4- 0.37 +Ni+2 NO3- 0.182 +Ni4(OH)4+4 ClO4- 1.08 +NiCl+ Cl- 0.1 +NiCl+ ClO4- 0.34 +NiF+ Cl- 0.065 +NiF+ ClO4- 0.34 +NiHS+ ClO4- -0.85 +Np(CO3)(OH)3- Na+ -0.11 +Np(CO3)+ Cl- 0.129 +Np(CO3)+ ClO4- 0.17 +Np(CO3)2- Na+ -0.14 +Np(CO3)3-3 Na+ -0.23 +Np(CO3)4-4 Na+ -0.09 +Np(CO3)5-6 Na+ 0 +Np(NO3)+3 ClO4- 0.71 +Np(OH)+2 Cl- -0.04 +Np(OH)+2 ClO4- 0.39 +Np(OH)+3 Cl- 0.2 +Np(OH)+3 ClO4- 0.5 +Np(OH)2+ Cl- -0.29 +Np(OH)2+ ClO4- 0.17 +Np(OH)2+2 Cl- 0.1 +Np(OH)3+ Cl- 0.05 +Np(OH)4(CO3)-2 Na+ -0.13 +Np(SO4)+ Cl- 0.157 +Np(SO4)+ ClO4- 0.22 +Np(SO4)+2 Cl- 0.232 +Np(SO4)+2 ClO4- 0.48 +Np(SO4)2- Na+ -0.05 +Np+3 Cl- 0.23 +Np+3 ClO4- 0.49 +Np+4 Cl- 0.4 +Np+4 ClO4- 0.84 +NpCl+3 ClO4- 0.81 +NpF+3 ClO4- 0.58 +NpF2+2 Cl- 0.186 +NpF2+2 ClO4- 0.38 +NpF3+ Cl- 0.1 +NpI+3 ClO4- 0.77 +NpO2(CO3)- Na+ -0.18 +NpO2(CO3)2-2 Na+ -0.02 +NpO2(CO3)2-3 Na+ -0.33 +NpO2(CO3)2OH-4 Na+ -0.4 +NpO2(CO3)3-4 Na+ -0.4 +NpO2(CO3)3-5 Na+ -0.53 +NpO2(Cit)-2 Na+ -0.06 +NpO2(Edta)-3 Na+ 0.2 +NpO2(HEdta)-2 Na+ 0.07 +NpO2(HPO4)2-2 Na+ -0.1 +NpO2(NO3)+ Cl- 0.22 +NpO2(NO3)+ ClO4- 0.33 +NpO2(OH)+ Cl- -0.003 +NpO2(OH)+ ClO4- -0.06 +NpO2(OH)2- Na+ -0.01 +NpO2(Ox)- Na+ -0.4 +NpO2(Ox)2-3 Na+ -0.3 +NpO2(SO4)- Na+ -0.74 +NpO2(SO4)2-2 Na+ -0.12 +NpO2+ Cl- 0.09 +NpO2+ ClO4- 0.25 +NpO2+2 Cl- 0.223 +NpO2+2 ClO4- 0.46 +NpO2Cl+ Cl- 0.318 +NpO2Cl+ ClO4- 0.5 +NpO2F+ Cl- 0.197 +NpO2F+ ClO4- 0.29 +OH- Na+ 0.04 +Ox-2 Na+ -0.08 +PO4-3 Na+ -0.25 +Pa+4 Cl- 0.3 +PaO(OH)+2 Cl- 0.13 +Pb(OH)3- Na+ 0.02 +Pb(SO4)2-2 Na+ -0.52 +Pb+2 Cl- 0.081 +Pb+2 ClO4- 0.15 +Pb+2 NO3- -0.2 +PbF+ Cl- 0.14 +Pd(SO4)2-2 Na+ -0.12 +Pd+2 Cl- 0.16 +PdBr+ Cl- 0.175 +PdBr3- Na+ 0 +PdBr4-2 Na+ 0.1 +PdCl+ Cl- 0.175 +PdCl3- Na+ 0 +PdCl4-2 Na+ 0.1 +Pu(CO3)+ Cl- 0.129 +Pu(CO3)+ ClO4- 0.17 +Pu(CO3)2- Na+ -0.14 +Pu(CO3)3-3 Na+ -0.23 +Pu(CO3)4-4 Na+ -0.09 +Pu(CO3)5-6 Na+ 0 +Pu(NO3)+2 Cl- 0.191 +Pu(NO3)+2 ClO4- 0.39 +Pu(NO3)+3 ClO4- 0.59 +Pu(OH)+2 Cl- -0.04 +Pu(OH)+2 ClO4- 0.39 +Pu(OH)+3 Cl- 0.2 +Pu(OH)+3 ClO4- 0.5 +Pu(OH)2+ Cl- -0.29 +Pu(OH)2+ ClO4- 0.17 +Pu(OH)2+2 Cl- 0.1 +Pu(OH)3+ Cl- 0.05 +Pu(SO4)+ Cl- 0.157 +Pu(SO4)+ ClO4- 0.22 +Pu(SO4)+2 Cl- 0.232 +Pu(SO4)+2 ClO4- 0.36 +Pu(SO4)2- Na+ -0.05 +Pu+3 Cl- 0.23 +Pu+3 ClO4- 0.49 +Pu+4 Cl- 0.37 +Pu+4 ClO4- 0.82 +PuBr+3 Cl- 0.1 +PuBr+3 ClO4- 0.58 +PuCl+3 Cl- 0.1 +PuCl+3 ClO4- 0.85 +PuF+3 Cl- 0.1 +PuF+3 ClO4- 0.56 +PuF2+2 Cl- 0.177 +PuF2+2 ClO4- 0.36 +PuF3+ Cl- 0.1 +PuI+2 Cl- 0.191 +PuI+2 ClO4- 0.39 +PuI+3 Cl- 0.1 +PuO2(CO3)2-2 Na+ -0.7 +PuO2(CO3)3-4 Na+ -0.2 +PuO2(CO3)3-5 Na+ -0.53 +PuO2(OH)+ Cl- -0.003 +PuO2(SO4)- Na+ -0.74 +PuO2(SO4)2-2 Na+ -0.12 +PuO2+ Cl- 0.129 +PuO2+ ClO4- 0.24 +PuO2+2 Cl- 0.223 +PuO2+2 ClO4- 0.46 +PuO2CO3- Na+ -0.18 +PuO2Cl+ Cl- 0.318 +PuO2Cl+ ClO4- 0.5 +PuO2F+ Cl- 0.197 +PuO2F+ ClO4- 0.29 +PuO2F3- Na+ 0 +PuO2NO3+ Cl- 0.22 +PuO2NO3+ ClO4- 0.33 +SO3-2 Na+ -0.08 +SO4-2 Na+ -0.12 +Scn- Na+ 0.05 +SeO3-2 Na+ -0.08 +SeO4-2 Na+ -0.12 +Si2O2(OH)5- Na+ -0.08 +Si2O3(OH)4-2 Na+ -0.15 +Si3O5(OH)5-3 Na+ -0.25 +Si3O6(OH)3-3 Na+ -0.25 +Si4O8(OH)4-4 Na+ -0.26 +Sm(CO3)+ Cl- 0.129 +Sm(CO3)+ ClO4- 0.17 +Sm(CO3)2- Na+ -0.14 +Sm(CO3)3-3 Na+ -0.23 +Sm(H2PO4)+2 Cl- 0.191 +Sm(H2PO4)+2 ClO4- 0.39 +Sm(NO3)+2 Cl- 0.191 +Sm(NO3)+2 ClO4- 0.39 +Sm(OH)+2 Cl- -0.04 +Sm(OH)+2 ClO4- 0.39 +Sm(OH)2+ Cl- -0.29 +Sm(OH)2+ ClO4- 0.17 +Sm(SO4)+ Cl- 0.157 +Sm(SO4)+ ClO4- 0.22 +Sm(SO4)2- Na+ -0.05 +Sm+3 Cl- 0.23 +Sm+3 ClO4- 0.49 +SmCl+2 Cl- 0.191 +SmCl+2 ClO4- 0.39 +SmF+2 Cl- 0.191 +SmF+2 ClO4- 0.39 +Sn(OH)+ ClO4- -0.07 +Sn(OH)3- Na+ 0.22 +Sn+2 Cl- 0.14 +Sn+2 ClO4- 0.19 +Sn+4 ClO4- 0.7 +Sn3(OH)4+2 ClO4- -0.02 +SnBr+ ClO4- 0.17 +SnBr3- Na+ 0.16 +SnCl+ ClO4- 0.08 +SnCl3- Na+ 0.04 +SnF+ ClO4- 0.14 +Th(CO3)5-6 Na+ -0.3 +Th(H2PO4)+3 ClO4- 0.5 +Th(H2PO4)2+2 ClO4- 0.4 +Th(H3PO4)(H2PO4)+3 ClO4- 0.5 +Th(H3PO4)+4 ClO4- 0.7 +Th(NO3)+3 ClO4- 0.56 +Th(NO3)+3 NO3- 0.56 +Th(NO3)2+2 ClO4- 0.43 +Th(NO3)2+2 NO3- 0.43 +Th(OH)(CO3)4-5 Na+ -0.22 +Th(OH)+3 Cl- 0.19 +Th(OH)+3 ClO4- 0.48 +Th(OH)+3 NO3- 0.2 +Th(OH)2(CO3)2-2 Na+ -0.1 +Th(OH)2+2 Cl- 0.13 +Th(OH)2+2 ClO4- 0.33 +Th(OH)2+2 NO3- 0.1 +Th(OH)3(CO3)- Na+ -0.05 +Th(OH)3+ Cl- 0.06 +Th(OH)3+ ClO4- 0.15 +Th(OH)3+ NO3- 0.05 +Th(OH)4(CO3)-2 Na+ -0.1 +Th(SO4)+2 Cl- 0.14 +Th(SO4)+2 ClO4- 0.3 +Th(SO4)3-2 Na+ -0.091 +Th+4 Cl- 0.7 +Th+4 ClO4- 0.7 +Th+4 NO3- 0.7 +Th2(OH)2+6 Cl- 0.4 +Th2(OH)2+6 ClO4- 1.22 +Th2(OH)2+6 NO3- 0.69 +Th2(OH)3+5 Cl- 0.29 +Th2(OH)3+5 ClO4- 0.91 +Th2(OH)3+5 NO3- 0.69 +Th4(OH)12+4 Cl- 0.25 +Th4(OH)12+4 ClO4- 0.56 +Th4(OH)12+4 NO3- 0.42 +Th4(OH)8+8 Cl- 0.7 +Th4(OH)8+8 ClO4- 1.69 +Th4(OH)8+8 NO3- 1.59 +Th6(OH)14+10 Cl- 0.83 +Th6(OH)14+10 ClO4- 2.2 +Th6(OH)14+10 NO3- 2.9 +Th6(OH)15+9 Cl- 0.72 +Th6(OH)15+9 ClO4- 1.85 +Th6(OH)15+9 NO3- 2.2 +ThCl+3 Cl- 0.62 +ThCl+3 ClO4- 0.62 +ThF+3 ClO4- 0.48 +ThF+3 NO3- 0.25 +ThF2+2 ClO4- 0.3 +ThF2+2 NO3- 0.15 +ThF3+ ClO4- 0.1 +ThF3+ NO3- 0 +U(CO3)4-4 Na+ -0.09 +U(CO3)5-6 Na+ -0.3 +U(NO3)+3 ClO4- 0.62 +U(NO3)2+2 Cl- 0.236 +U(NO3)2+2 ClO4- 0.49 +U(OH)+3 Cl- 0.2 +U(OH)+3 ClO4- 0.48 +U(OH)2+2 Cl- 0.1 +U(OH)3+ Cl- 0.05 +U(SO4)+2 Cl- 0.149 +U(SO4)+2 ClO4- 0.3 +U+3 Cl- 0.23 +U+3 ClO4- 0.49 +U+4 Cl- 0.36 +U+4 ClO4- 0.76 +UBr+3 ClO4- 0.52 +UCl+3 Cl- 0.1 +UCl+3 ClO4- 0.5 +UF+3 Cl- 0.1 +UF+3 ClO4- 0.48 +UF2+2 Cl- 0.149 +UF2+2 ClO4- 0.3 +UF3+ Cl- 0.1 +UF3+ ClO4- 0.1 +UI+3 ClO4- 0.55 +UI+3 NO3- 0.56 +UO2(CO3)2-2 Na+ -0.02 +UO2(CO3)3-4 Na+ -0.01 +UO2(CO3)3-5 Na+ -0.62 +UO2(Cit)- Na+ -0.11 +UO2(NO3)+ Cl- 0.22 +UO2(NO3)+ ClO4- 0.33 +UO2(OH)+ Cl- -0.003 +UO2(OH)+ ClO4- -0.06 +UO2(OH)+ NO3- 0.51 +UO2(OH)3- Na+ -0.09 +UO2(Ox)2-2 Na+ -0.18 +UO2(Ox)3-4 Na+ -0.01 +UO2(SO4)2-2 Na+ -0.12 +UO2+ Cl- 0.18 +UO2+ ClO4- 0.26 +UO2+2 Cl- 0.46 +UO2+2 ClO4- 0.46 +UO2+2 NO3- 0.46 +UO2Br+ Cl- 0.169 +UO2Br+ ClO4- 0.24 +UO2Cl+ Cl- 0.22 +UO2Cl+ ClO4- 0.33 +UO2F+ Cl- 0.04 +UO2F+ ClO4- 0.28 +UO2F3- Na+ -0.14 +UO2F4-2 Na+ -0.3 +Zn+2 Cl- 0.163 +Zn+2 ClO4- 0.33 +Zn+2 NO3- 0.16 +Zr(CO3)4-4 Na+ -0.09 +Zr(NO3)2+2 ClO4- 0.84 +Zr(OH)+3 ClO4- 0.57 +Zr(OH)2+2 ClO4- 0.62 +Zr(OH)6-2 Na+ -0.1 +Zr+4 Cl- 0.89 +Zr+4 ClO4- 0.89 +Zr+4 NO3- 0.89 +Zr4(OH)15+ ClO4- 0.09 +ZrCl+3 ClO4- 0.87 +ZrCl2+2 ClO4- 0.84 +ZrF+3 ClO4- 0.63 +ZrF2+2 ClO4- 0.47 +ZrF5- Na+ -0.14 +ZrF6-2 Na+ -0.15 +ZrNO3+3 ClO4- 0.88 + SOLUTION_SPECIES -+1.000Mn+2 = Mn+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -220.8 kJ/mol 95ROB/HEM - - -+1.000Cu+2 = Cu+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: 64.9 kJ/mol 92GRE/FUG - - -+1.000Ca+2 = Ca+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -543 kJ/mol 89COX/WAG - - -+1.000Ni+2 = Ni+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -55.012 kJ/mol 05GAM/BUG - - -+1.000Hg+2 = Hg+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: 170.21 kJ/mol 92GRE/FUG - - -+1.000Mg+2 +2.000NH3 = Mg(NH3)2+2 - log_k 0 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - #delta_h kJ/mol # - # Enthalpy of formation: -629.296 kJ/mol - - -+1.000Co+2 = Co+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -57.6 kJ/mol 98PLY/ZHA - - -+1.000Mg+2 = Mg+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -467 kJ/mol 89COX/WAG - - -+1.000Li+ = Li+ - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 = Sr+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -550.9 kJ/mol 84BUS/PLUS - - -+1.000Th+4 = Th+4 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -768.7 kJ/mol 09RAN/FUG - - -+1.000PuO2+2 = PuO2+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -822.036 kJ/mol 01LEM/FUG - - -+1.000K+ = K+ - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -252.14 kJ/mol 89COX/WAG - - -+1.000NpO2+2 = NpO2+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -860.733 kJ/mol 01LEM/FUG - - -+1.000Eu+3 = Eu+3 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -605.331 kJ/mol - - -+1.000Sm+3 = Sm+3 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -691.199 kJ/mol - - -+1.000Na+ = Na+ - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -240.34 kJ/mol 92GRE/FUG (89COX/WAG) - - -+1.000H+ = H+ - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: 0 kJ/mol 89COX/WAG - - -+1.000Pd+2 = Pd+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: 189.883 kJ/mol - - -+1.000H4(SiO4) = H4(SiO4) - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -1461.194 kJ/mol - - -+1.000Cn- = Cn- - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: 150.624 kJ/mol 92JOH/OEL - - -+1.000Cit-3 = Cit-3 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -1519.92 kJ/mol - - -+1.000Ox-2 = Ox-2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -830.66 kJ/mol - - -+1.000Zn+2 = Zn+2 - log_k 0 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: -153.39 kJ/mol 92GRE/FUG - - -+1.000Am+3 = Am+3 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -616.7 kJ/mol 95SIL/BID - - -+1.000Ra+2 = Ra+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -528.025 kJ/mol - - -+1.000Ho+3 = Ho+3 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -707.042 kJ/mol - - -+1.000Nb(OH)6- = Nb(OH)6- - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -1925.665 kJ/mol - - -+1.000e- = e- - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: 0 kJ/mol 89COX/WAG - - -+1.000Ba+2 = Ba+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -534.8 kJ/mol 95SIL/BID - - -+1.000Cd+2 = Cd+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -75.92 kJ/mol 89COX/WAG - - -+1.000Pyrophos-4 = Pyrophos-4 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H2(PO4)- = H2(PO4)- - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -1302.6 kJ/mol 89COX/WAG - - -+1.000Nta-3 = Nta-3 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Edta-4 = Edta-4 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -1704.8 kJ/mol 05HUM/AND - - -+1.000B(OH)4- = B(OH)4- - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -1345.116 kJ/mol 99RAR/RAN - - -+1.000Fe+2 = Fe+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -90 kJ/mol 98CHI - - -+1.000Pb+2 = Pb+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: 0.92 kJ/mol 89COX/WAG - - -+1.000MoO4-2 = MoO4-2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -997 kJ/mol 74OHA - - -+1.000Cm+3 = Cm+3 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -615 kJ/mol 01KON - - -+1.000SeO4-2 = SeO4-2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -603.5 kJ/mol 05OLI/NOL - - -+1.000Ag+ = Ag+ - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: 105.79 kJ/mol 95SIL/BID - - -+1.000Al+3 = Al+3 - log_k 0 # - delta_h 0 kJ/mol # - # Enthalpy of formation: -538.4 kJ/mol 95POK/HEL - - -+1.000Rb+ = Rb+ - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -251.12 kJ/mol 92GRE/FUG - - -+1.000Pa+4 = Pa+4 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -620 kJ/mol 85BAR/PAR - - -+1.000Zr+4 = Zr+4 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -608.5 kJ/mol 05BRO/CUR - - -+1.000HIsa- = HIsa- - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cs+ = Cs+ - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -258 kJ/mol 95SIL/BID - - -+1.000HGlu- = HGlu- - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Hf+4 = Hf+4 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -628.91 kJ/mol 99VAS/LYT - - -+1.000Sb(OH)3 = Sb(OH)3 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -733.892 kJ/mol - - -+1.000CrO4-2 = CrO4-2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -879 kJ/mol - - -+1.000H2O = H2O - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Acetate- = Acetate- - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -486.01 kJ/mol 82WAG/EVA - - -+1.000Phthalat-2 = Phthalat-2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 = Sn+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -8.9 kJ/mol 89COX/WAG - - -+1.000UO2+2 = UO2+2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -1019 kJ/mol 92GRE/FUG - - -+1.000TcO(OH)2 = TcO(OH)2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -749.32 kJ/mol - - -+1.000CO3-2 = CO3-2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -675.23 kJ/mol 89COX/WAG - - -+1.000SO4-2 = SO4-2 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -909.34 kJ/mol 89COX/WAG - - -+1.000Cl- = Cl- - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -167.08 kJ/mol 89COX/WAG - - -+1.000F- = F- - log_k 0 #95SIL/BID - #delta_h kJ/mol # - # Enthalpy of formation: -335.35 kJ/mol 95SIL/BID - - -+1.000Br- = Br- - log_k 0 #95SIL/BID - #delta_h kJ/mol # - # Enthalpy of formation: -121.41 kJ/mol 95SIL/BID - - -+1.000I- = I- - log_k 0 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: -56.78 kJ/mol 92GRE/FUG - - -+1.000Scn- = Scn- - log_k 0 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: 76.4 kJ/mol 92GRE/FUG - - -+1.000AsO4-3 = AsO4-3 - log_k 0 # - #delta_h kJ/mol # - # Enthalpy of formation: -888.14 kJ/mol 01LEM/FUG - - -+1.000NO3- = NO3- - log_k 0 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: -206.85 kJ/mol 92GRE/FUG - - -+1.000Ca+2 +1.000Ox-2 = Ca(Ox) - log_k 3.19 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +2.000Ox-2 = Ca(Ox)2-2 - log_k 4.02 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +2.000H+ +1.000Cit-3 = Ca(H2Cit)+ - log_k 12.67 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +1.000H+ +1.000Cit-3 = Ca(HCit) - log_k 9.28 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +1.000Cit-3 = Ca(Cit)- - log_k 4.8 #05HUM/AND - delta_h 0 kJ/mol # - # Enthalpy of formation: -2062.92 kJ/mol - - -+1.000Ca+2 +1.000Nta-3 = Ca(Nta)- - log_k 7.73 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +1.000H+ +1.000Nta-3 = Ca(HNta) - log_k 13.4 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +2.000H+ +2.000Nta-3 = Ca(HNta)2-2 - log_k 23.63 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +1.000H+ +1.000Edta-4 = Ca(HEdta)- - log_k 16.23 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +1.000Edta-4 = Ca(Edta)-2 - log_k 12.69 #05HUM/AND - delta_h -22.2 kJ/mol # - # Enthalpy of formation: -2270 kJ/mol - - -+1.000Ca+2 +1.000HIsa- = Ca(HIsa)+ - log_k 1.7 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 -1.000H+ +1.000HIsa- = Ca(Isa) - log_k -10.4 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +1.000HGlu- = Ca(HGlu)+ - log_k 1.73 #52SCH/LIN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 -1.000H+ +1.000HGlu- +1.000H2O = Ca(OH)(HGlu) - log_k -10.4 #02TIT/WIE - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +1.000Th+4 -4.000H+ +2.000HGlu- +4.000H2O = CaTh(OH)4(HGlu)2 - log_k -0.6 #05TIT/WIE - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +1.000CrO4-2 = CaCrO4 - log_k 2.77 #00PER/PAL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +1.000Sm+3 -3.000H+ +3.000H2O = Ca(Sm(OH)3)+2 - log_k -26.3 #07RAB/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000Ca+2 +1.000Sm+3 -4.000H+ +4.000H2O = Ca2(Sm(OH)4)+3 - log_k -37.2 #07RAB/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000Ca+2 +1.000Sm+3 -6.000H+ +6.000H2O = Ca3(Sm(OH)6)+3 - log_k -60.7 #07RAB/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +1.000Eu+3 -3.000H+ +3.000H2O = Ca(Eu(OH)3)+2 - log_k -26.3 #07RAB/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+4.000Mg+2 -4.000H+ +4.000H2O = Mg4(OH)4+4 - log_k -39.75 #76BAE/MES - delta_h 229.186 kJ/mol # - # Enthalpy of formation: -2782.134 kJ/mol - - -+1.000Mg+2 +1.000Ox-2 = Mg(Ox) - log_k 3.56 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mg+2 +2.000Ox-2 = Mg(Ox)2-2 - log_k 5.17 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mg+2 +2.000H+ +1.000Cit-3 = Mg(H2Cit)+ - log_k 12.45 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mg+2 +1.000H+ +1.000Cit-3 = Mg(HCit) - log_k 8.96 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mg+2 +1.000Cit-3 = Mg(Cit)- - log_k 4.81 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mg+2 +1.000Nta-3 = Mg(Nta)- - log_k 6.79 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mg+2 +1.000H+ +1.000Edta-4 = Mg(HEdta)- - log_k 15.4 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mg+2 +1.000Edta-4 = Mg(Edta)-2 - log_k 10.9 #05HUM/AND - delta_h 19.8 kJ/mol # - # Enthalpy of formation: -2152 kJ/mol - - -+2.000Ca+2 +1.000Eu+3 -4.000H+ +4.000H2O = Ca2(Eu(OH)4)+3 - log_k -37.2 #07RAB/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mg+2 +1.000B(OH)4- = MgB(OH)4+ - log_k 1.6 #97CRO - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000Ca+2 +1.000Eu+3 -6.000H+ +6.000H2O = Ca3(Eu(OH)6)+3 - log_k -60.7 #07RAB/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 -3.000H+ +1.000Ho+3 +3.000H2O = Ca(Ho(OH)3)+2 - log_k -26.3 #07RAB/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000Ca+2 -4.000H+ +1.000Ho+3 +4.000H2O = Ca2(Ho(OH)4)+3 - log_k -37.2 #07RAB/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000Ca+2 -6.000H+ +1.000Ho+3 +6.000H2O = Ca3(Ho(OH)6)+3 - log_k -60.7 #07RAB/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 -3.000H+ +1.000Am+3 +3.000H2O = Ca(Am(OH)3)+2 - log_k -26.3 #07RAB/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000Ca+2 -4.000H+ +1.000Am+3 +4.000H2O = Ca2(Am(OH)4)+3 - log_k -37.2 #07RAB/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000Ca+2 -6.000H+ +1.000Am+3 +6.000H2O = Ca3(Am(OH)6)+3 - log_k -60.7 #07RAB/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 -3.000H+ +1.000Cm+3 +3.000H2O = Ca(Cm(OH)3)+2 - log_k -26.3 #07RAB/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000Ca+2 -4.000H+ +1.000Cm+3 +4.000H2O = Ca2(Cm(OH)4)+3 - log_k -37.2 #07RAB/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000Ca+2 -6.000H+ +1.000Cm+3 +6.000H2O = Ca3(Cm(OH)6)+3 - log_k -60.7 #07RAB/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +1.000H+ +1.000Ox-2 = Sr(HOx)+ - log_k 5.8 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +1.000Ox-2 = Sr(Ox) - log_k 2.54 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +2.000H+ +2.000Ox-2 = Sr(HOx)2 - log_k 10.8 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +2.000Ox-2 = Sr(Ox)2-2 - log_k 3 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +2.000H+ +1.000Cit-3 = Sr(H2Cit)+ - log_k 12.46 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +1.000H+ +1.000Cit-3 = Sr(HCit) - log_k 9 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +1.000Cit-3 = Sr(Cit)- - log_k 4.24 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +2.000Cit-3 = Sr(Cit)2-4 - log_k 4.84 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 -1.000H+ +2.000Cit-3 +1.000H2O = Sr(Cit)2(OH)-5 - log_k -1.78 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000Sr+2 -1.000H+ +1.000Cit-3 +1.000H2O = Sr2(Cit)(OH) - log_k 0.38 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +1.000Nta-3 = Sr(Nta)- - log_k 6.25 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +1.000H+ +1.000Edta-4 = Sr(HEdta)- - log_k 14.7 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +1.000Edta-4 = Sr(Edta)-2 - log_k 10.3 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000K+ +1.000H+ +1.000Nta-3 = K(HNta)- - log_k 10.3 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000K+ +1.000Nta-3 = K(Nta)-2 - log_k 1.3 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000K+ +1.000Edta-4 = K(Edta)-3 - log_k 1.8 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000K+ +1.000Al+3 -4.000H+ +4.000H2O = KAl(OH)4 - log_k -24.22 # - delta_h 211.675 kJ/mol # - # Enthalpy of formation: -1722.185 kJ/mol 97POK/HEL - - -+1.000K+ -2.000H+ +1.000H2(PO4)- = KPO4-2 - log_k -18.26 #97MAR/SMI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000K+ +1.000H2(PO4)- = KH2PO4 - log_k 0.44 #97MAR/SMI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Na+ +1.000B(OH)4- = NaB(OH)4 - log_k -0.1 # - delta_h 1.226 kJ/mol # - # Enthalpy of formation: -1584.23 kJ/mol - - -+1.000Na+ +1.000H+ +1.000Nta-3 = Na(HNta)- - log_k 10.32 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Na+ +1.000Nta-3 = Na(Nta)-2 - log_k 1.88 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Na+ +1.000Edta-4 = Na(Edta)-3 - log_k 2.8 #05HUM/AND - delta_h -4 kJ/mol # - # Enthalpy of formation: -1949.14 kJ/mol - - -+2.000Na+ +1.000Pyrophos-4 = Na2(Pyrophos)-2 - log_k 2.29 #76SMI/MAR - delta_h 5.858 kJ/mol #76SMI/MAR - # Enthalpy of formation: -2761.716 kJ/mol - - -+1.000Na+ -1.000H+ +1.000H4(SiO4) = NaH3SiO4 - log_k -8.01 #97SVE/SHO - delta_h 7.728 kJ/mol # - # Enthalpy of formation: -1693.806 kJ/mol - - -+1.000Na+ -2.000H+ +1.000H2(PO4)- = NaPO4-2 - log_k -18.07 #97MAR/SMI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Na+ +1.000H2(PO4)- = NaH2PO4 - log_k 0.41 #97MAR/SMI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 -1.000e- = Fe+3 - log_k -13.01 # - delta_h 41 kJ/mol # - # Enthalpy of formation: -49 kJ/mol 98CHI - - -+1.000Fe+3 +2.000Br- = FeBr2+ - log_k 0.9 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 -1.000H+ +1.000CO3-2 +1.000H2O = FeCO3OH - log_k 10.76 #05GRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000CrO4-2 = FeCrO4+ - log_k 7.8 #96BAR/PAL - delta_h 19.1 kJ/mol #96BAR/PAL - # Enthalpy of formation: -908.9 kJ/mol - - -+1.000Fe+3 +1.000H+ +1.000Ox-2 = Fe(HOx)+2 - log_k 9.3 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000Ox-2 = Fe(Ox)+ - log_k 9.53 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +2.000Ox-2 = Fe(Ox)2- - log_k 15.75 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +3.000Ox-2 = Fe(Ox)3-3 - log_k 20.2 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +2.000H+ +1.000Cit-3 = Fe(H2Cit)+2 - log_k 30.4 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000H+ +1.000Cit-3 = Fe(HCit)+ - log_k 13.56 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000Cit-3 = Fe(Cit) - log_k 12.65 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 -1.000H+ +1.000Cit-3 +1.000H2O = Fe(Cit)(OH)- - log_k 10.33 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 -2.000H+ +1.000Cit-3 +2.000H2O = Fe(OH)2(Cit)-2 - log_k 2.9 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +2.000H+ +2.000Cit-3 = Fe(HCit)2- - log_k 24.92 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000H+ +2.000Cit-3 = Fe(HCit)(Cit)-2 - log_k 19.3 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +2.000Cit-3 = Fe(Cit)2-3 - log_k 18.15 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 -2.000H+ +2.000Cit-3 +2.000H2O = Fe(Cit)2(OH)2-5 - log_k 3.44 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000Fe+3 -2.000H+ +2.000Cit-3 +2.000H2O = Fe2(Cit)2(OH)2-2 - log_k 45 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000Nta-3 = Fe(Nta) - log_k 18.6 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 -1.000H+ +1.000Nta-3 +1.000H2O = Fe(OH)(Nta)- - log_k 14.6 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 -2.000H+ +1.000Nta-3 +2.000H2O = Fe(OH)2(Nta)-2 - log_k 6 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +2.000Nta-3 = Fe(Nta)2-3 - log_k 27 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000H+ +1.000Edta-4 = Fe(HEdta) - log_k 29.2 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000Edta-4 = Fe(Edta)- - log_k 27.7 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 -1.000H+ +1.000Edta-4 +1.000H2O = Fe(OH)(Edta)-2 - log_k 20.84 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 -2.000H+ +1.000Edta-4 +2.000H2O = Fe(OH)2(Edta)-3 - log_k 10.06 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 -3.000H+ +1.000Edta-4 +3.000H2O = Fe(OH)3(Edta)-4 - log_k 8.3 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000Fe+3 -2.000H+ +2.000Edta-4 +2.000H2O = Fe2(OH)2(Edta)2-4 - log_k 68 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +6.000Cn- = Fe(Cn)6-3 - log_k 43.6 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000NO3- = Fe(NO3)+2 - log_k 0.95 #HATCHES 8.0 1996 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +2.000H+ +1.000Pyrophos-4 = FeH2Pyrophos+ - log_k 26 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000H+ +1.000SO4-2 = FeHSO4+2 - log_k 4.47 #90NOR/PLU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000S2O3-2 = FeS2O3+ - log_k 3.9 #82SCH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000Scn- = FeScn+2 - log_k 3.1 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +3.000Cl- = FeCl3 - log_k 1.13 #90NOR/PLU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +4.000Cl- = FeCl4- - log_k -0.79 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000Br- = FeBr+2 - log_k 0.7 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000I- = FeI+2 - log_k 2.1 #96BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +3.000CO3-2 = Fe(CO3)3-3 - log_k 24.24 #05GRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 -4.000H+ +4.000H2O = Fe(OH)4-2 - log_k -46 #76BAE/MES in 99CHIa - delta_h 158.797 kJ/mol # - # Enthalpy of formation: -1074.523 kJ/mol - - -+1.000Fe+2 -1.000H+ +1.000CO3-2 +1.000H2O = FeCO3OH- - log_k -4.03 #98KIN in 99CHIb - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +2.000CO3-2 = Fe(CO3)2-2 - log_k 7.45 #98KIN in 99CHIb - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +1.000Ox-2 = Fe(Ox) - log_k 4.1 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +2.000Ox-2 = Fe(Ox)2-2 - log_k 6.2 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +3.000Ox-2 = Fe(Ox)3-4 - log_k 5.22 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +2.000H+ +1.000Cit-3 = Fe(H2Cit)+ - log_k 24.7 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +1.000H+ +1.000Cit-3 = Fe(HCit) - log_k 10.02 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +1.000Cit-3 = Fe(Cit)- - log_k 6.1 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 -1.000H+ +1.000Cit-3 +1.000H2O = Fe(OH)(Cit)-2 - log_k 1.5 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +1.000H+ +1.000Nta-3 = Fe(HNta) - log_k 12.3 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +1.000Nta-3 = Fe(Nta)- - log_k 10.6 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 -1.000H+ +1.000Nta-3 +1.000H2O = Fe(OH)(Nta)-2 - log_k -0.12 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +2.000Nta-3 = Fe(Nta)2-4 - log_k 13.5 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +1.000H+ +1.000Edta-4 = Fe(HEdta)- - log_k 18.3 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +1.000Edta-4 = Fe(Edta)-2 - log_k 16.02 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 -1.000H+ +1.000Edta-4 +1.000H2O = Fe(OH)(Edta)-3 - log_k 6.4 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 -2.000H+ +1.000Edta-4 +2.000H2O = Fe(OH)2(Edta)-4 - log_k -4.4 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +1.000H+ +1.000CO3-2 = FeHCO3+ - log_k 11.77 #95CHI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +6.000Cn- = Fe(Cn)6-4 - log_k 35.4 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +1.000NH3 = Fe(NH3)+2 - log_k 1.3 #82SCH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +2.000NH3 = Fe(NH3)2+2 - log_k 2.1 #82SCH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +4.000NH3 = Fe(NH3)4+2 - log_k 3.6 #82SCH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +1.000HS- = Fe(HS)+ - log_k 4.34 #04CHI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +2.000HS- = Fe(HS)2 - log_k 6.45 #04CHI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 -8.000H+ -3.000e- +4.000H2O = MnO4-3 - log_k -113 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cu+2 +1.000e- = Cu+ - log_k 2.64 # - delta_h 6.77 kJ/mol # - # Enthalpy of formation: 71.67 kJ/mol 82WAG/EVA - - -+1.000Cu+2 +1.000SeO4-2 = Cu(SeO4) - log_k 2.2 #Upper value suggested in 05OLI/NOL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +1.000CO3-2 = CaCO3 - log_k 3.22 #96BOU - delta_h 14.83 kJ/mol # - # Enthalpy of formation: -1203.4 kJ/mol 96BOU - - -+1.000Ba+2 +1.000F- = BaF+ - log_k 0.4 # - delta_h 6.697 kJ/mol # - # Enthalpy of formation: -863.452 kJ/mol 97SVE/SHO - - -+1.000Ca+2 +1.000H+ +1.000CO3-2 = Ca(HCO3)+ - log_k 11.43 #96BOU - delta_h -23.597 kJ/mol # - # Enthalpy of formation: -1241.827 kJ/mol - - -+1.000Ca+2 +1.000SO4-2 = Ca(SO4) - log_k 2.31 #53BEL/GEO - delta_h 4.292 kJ/mol # - # Enthalpy of formation: -1448.048 kJ/mol - - -+1.000Ca+2 +1.000B(OH)4- = CaB(OH)4+ - log_k 1.8 #97CRO - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +1.000F- = CaF+ - log_k 0.94 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel - delta_h 17.238 kJ/mol # - # Enthalpy of formation: -861.112 kJ/mol - - -+1.000Ca+2 +1.000I- = CaI+ - log_k 0.14 #estimation NEA87 08/2/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +2.000I- = CaI2 - log_k -0.02 #estimation NEA87 08/2/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +1.000NH3 = Ca(NH3)+2 - log_k -0.1 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +2.000NH3 = Ca(NH3)2+2 - log_k -0.7 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +3.000NH3 = Ca(NH3)3+2 - log_k -1.5 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +4.000NH3 = Ca(NH3)4+2 - log_k -2.6 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 -1.000H+ +1.000H2(PO4)- = Ca(HPO4) - log_k -4.47 #68CHU/MAR - delta_h 17.407 kJ/mol #68CHU/MAR - # Enthalpy of formation: -1828.193 kJ/mol - - -+1.000Ca+2 -2.000H+ +1.000H2(PO4)- = Ca(PO4)- - log_k -13.1 #68CHU/MAR - delta_h 31.17 kJ/mol # - # Enthalpy of formation: -1814.43 kJ/mol - - -+1.000Ca+2 +1.000H2(PO4)- = Ca(H2PO4)+ - log_k 1.41 #68CHU/MAR - delta_h 14.226 kJ/mol #68CHU/MAR - # Enthalpy of formation: -1831.374 kJ/mol - - -+1.000Ca+2 +1.000Pyrophos-4 = Ca(Pyrophos)-2 - log_k 7.5 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +1.000H+ +1.000Pyrophos-4 = Ca(HPyrophos)- - log_k 13.8 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 +1.000S2O3-2 = Cd(S2O3) - log_k 2.46 # - delta_h 5.405 kJ/mol # - # Enthalpy of formation: -722.801 kJ/mol 74NAU/RYZ - - -+1.000Cd+2 -1.000H+ -2.000e- +1.000Cn- +1.000HSe- = Cd(SeCn)+ - log_k 15.27 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 -2.000H+ -4.000e- +2.000Cn- +2.000HSe- = Cd(SeCn)2 - log_k 29.39 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 -3.000H+ -6.000e- +3.000Cn- +3.000HSe- = Cd(SeCn)3- - log_k 42.89 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 -4.000H+ -8.000e- +4.000Cn- +4.000HSe- = Cd(SeCn)4-2 - log_k 56.71 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 +2.000HS- = Cd(HS)2 - log_k 14.43 #99WAN/TES - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 +1.000HS- = CdHS+ - log_k 7.38 #99WAN/TES - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 -1.000H+ +1.000H2(PO4)- = CdHPO4 - log_k -2.38 #01AYA/MAD - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 -1.000H+ +1.000H4(SiO4) = Ca(H3SiO4)+ - log_k -8.83 #97SVE/SHO - delta_h 31.633 kJ/mol # - # Enthalpy of formation: -1972.561 kJ/mol - - -+1.000Ca+2 +1.000S2O3-2 = Ca(S2O3) - log_k 1.9 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de Hatches3.0) - #delta_h kJ/mol # - # Enthalpy of formation: -1191.5 kJ/mol - - -+1.000Cd+2 +1.000SeO4-2 = Cd(SeO4) - log_k 2.27 #05OLI/NOL - delta_h 8.3 kJ/mol #05OLI/NOL - # Enthalpy of formation: -671.12 kJ/mol - - -+1.000Zn+2 -1.000H+ -2.000e- +1.000Cn- +1.000HSe- = Zn(SeCn)+ - log_k 14.24 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Zn+2 -2.000H+ -4.000e- +2.000Cn- +2.000HSe- = Zn(SeCn)2 - log_k 27.73 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +1.000Pyrophos-4 = Ni(Pyrophos)-2 - log_k 8.73 #05GAM/BUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +1.000H+ +1.000Pyrophos-4 = NiHPyrophos- - log_k 14.54 #05GAM/BUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 -3.000H+ +1.000H2(PO4)- +2.000H2O = Ni(OH)2(HPO4)-2 - log_k -23.24 #95LEM - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +1.000Acetate- = Ni(Acetate)+ - log_k 1.32 #11RIC/GRI - delta_h -8.662 kJ/mol # - # Enthalpy of formation: -549.684 kJ/mol - - -+1.000Ni+2 +1.000Cl- = NiCl+ - log_k 0.08 #05GAM/BUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +1.000Ox-2 = Ni(Ox) - log_k 5.19 #05HUM/AND - delta_h 0 kJ/mol # - # Enthalpy of formation: -885.672 kJ/mol - - -+1.000Ni+2 +2.000Ox-2 = Ni(Ox)2-2 - log_k 7.64 #05HUM/AND - delta_h -7.8 kJ/mol # - # Enthalpy of formation: -1724.132 kJ/mol - - -+1.000Ni+2 +2.000H+ +1.000Cit-3 = Ni(H2Cit)+ - log_k 13.19 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +1.000H+ +1.000Cit-3 = Ni(HCit) - log_k 10.52 #05HUM/BER - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +1.000Cit-3 = Ni(Cit)- - log_k 6.76 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +2.000Cit-3 = Ni(Cit)2-4 - log_k 8.5 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +1.000Nta-3 = Ni(Nta)- - log_k 12.75 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +2.000Nta-3 = Ni(Nta)2-4 - log_k 16.95 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 -1.000H+ +1.000Nta-3 +1.000H2O = Ni(OH)(Nta)-2 - log_k 1.47 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +1.000H+ +1.000Edta-4 = Ni(HEdta)- - log_k 24.2 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +1.000Edta-4 = Ni(Edta)-2 - log_k 20.54 #05HUM/AND - delta_h -26.1 kJ/mol # - # Enthalpy of formation: -1785.912 kJ/mol - - -+1.000Ni+2 +1.000NH3 = Ni(NH3)+2 - log_k 2.61 #70LET/ROC in 82HOG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +2.000NH3 = Ni(NH3)2+2 - log_k 4.76 #70LET/ROC in 82HOG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +3.000NH3 = Ni(NH3)3+2 - log_k 6.79 #70LET/ROC in 82HOG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +4.000NH3 = Ni(NH3)4+2 - log_k 8.34 #70LET/ROC in 82HOG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +1.000S2O3-2 = Ni(S2O3) - log_k 2.06 #51DEU/HEI in 64SIL/MAR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +1.000HS- = NiHS+ - log_k 5.5 #02HUM/BER - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +2.000HS- = Ni(HS)2 - log_k 11.1 #02HUM/BER - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +4.000Cn- = Ni(Cn)4-2 - log_k 30.2 # - delta_h -180.7 kJ/mol #05GAM/BUG - # Enthalpy of formation: 353.688 kJ/mol - - -+1.000Ni+2 +5.000Cn- = Ni(Cn)5-3 - log_k 28.5 # - delta_h -191.1 kJ/mol #05GAM/BUG - # Enthalpy of formation: 490.638 kJ/mol - - -+1.000Ni+2 +1.000Scn- = Ni(Scn)+ - log_k 1.81 # - delta_h -11.8 kJ/mol #05GAM/BUG - # Enthalpy of formation: 9.588 kJ/mol - - -+1.000Ni+2 +2.000Scn- = Ni(Scn)2 - log_k 2.69 # - delta_h -21 kJ/mol #05GAM/BUG - # Enthalpy of formation: 76.788 kJ/mol - - -+1.000Ni+2 +3.000Scn- = Ni(Scn)3- - log_k 3.02 # - delta_h -29 kJ/mol #05GAM/BUG - # Enthalpy of formation: 145.188 kJ/mol - - -+1.000Ni+2 +1.000H+ +1.000AsO4-3 = NiHAsO4 - log_k 14.5 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 -1.000H+ +1.000H2O = Ca(OH)+ - log_k -12.78 #87GAR/PAR - delta_h 77.206 kJ/mol # - # Enthalpy of formation: -751.624 kJ/mol - - -+1.000Ca+2 +1.000IO3- = Ca(IO3)+ - log_k 0.4 #estimation NEA87 08/2/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mg+2 +1.000CO3-2 = Mg(CO3) - log_k 2.98 #97SVE/SHO - delta_h 8.804 kJ/mol # - # Enthalpy of formation: -1133.426 kJ/mol - - -+1.000Mg+2 +1.000H+ +1.000CO3-2 = Mg(HCO3)+ - log_k 11.37 #95SHO/KOR - delta_h -12.859 kJ/mol # - # Enthalpy of formation: -1155.089 kJ/mol - - -+1.000Mg+2 +1.000SO4-2 = Mg(SO4) - log_k 2.23 #76SMI/MAR - delta_h 5.858 kJ/mol #76SMI/MAR - # Enthalpy of formation: -1370.482 kJ/mol - - -+1.000Mg+2 +1.000F- = MgF+ - log_k 1.8 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel - delta_h 13.389 kJ/mol # - # Enthalpy of formation: -788.961 kJ/mol - - -+1.000Mg+2 +1.000I- = MgI+ - log_k 0.18 #estimation NEA87 08/2/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mg+2 +1.000NH3 = Mg(NH3)+2 - log_k 0.1 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - #delta_h kJ/mol # - # Enthalpy of formation: -548.148 kJ/mol - - -+2.000Hg+2 +2.000e- = Hg2+2 - log_k 30.79 # - delta_h -173.55 kJ/mol # - # Enthalpy of formation: 166.87 kJ/mol 01LEM/FUG - - -+1.000Hg+2 -1.000H+ +1.000HSe- = HgSe - log_k 37.59 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Hg+2 -2.000H+ +2.000HSe- = HgSe2-2 - log_k 32.63 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mg+2 +3.000NH3 = Mg(NH3)3+2 - log_k -0.3 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - #delta_h kJ/mol # - # Enthalpy of formation: -710.444 kJ/mol - - -+1.000Mg+2 +4.000NH3 = Mg(NH3)4+2 - log_k -1 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - #delta_h kJ/mol # - # Enthalpy of formation: -791.592 kJ/mol - - -+1.000Mg+2 -2.000H+ +1.000H2(PO4)- = Mg(PO4)- - log_k -14.71 #81TUR/WHI - delta_h 31.17 kJ/mol #96BOU - # Enthalpy of formation: -1738.43 kJ/mol - - -+1.000Mg+2 -1.000H+ +1.000H2(PO4)- = Mg(HPO4) - log_k -4.3 #76SMI/MAR - delta_h 16.152 kJ/mol #76SMI/MAR - # Enthalpy of formation: -1753.448 kJ/mol - - -+1.000Mg+2 +1.000H2(PO4)- = Mg(H2PO4)+ - log_k 1.17 #81TUR/WHI - delta_h 13.514 kJ/mol #96BOU - # Enthalpy of formation: -1756.086 kJ/mol - - -+1.000Mg+2 +1.000Pyrophos-4 = Mg(Pyrophos)-2 - log_k 7.2 #76SMI/MAR - delta_h 12.542 kJ/mol # - # Enthalpy of formation: -2741.352 kJ/mol - - -+1.000Mg+2 +1.000S2O3-2 = Mg(S2O3) - log_k 1.82 #76SMI/MAR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pb+2 +2.000I- = PbI2 - log_k 3.15 #82HÖG - delta_h 7.106 kJ/mol # - # Enthalpy of formation: -105.534 kJ/mol - - -+1.000Pb+2 +1.000F- = PbF+ - log_k 2.27 #99LOT/OCH - delta_h -4.054 kJ/mol # - # Enthalpy of formation: -338.484 kJ/mol - - -+1.000Pb+2 +2.000F- = PbF2 - log_k 3.01 #99LOT/OCH - delta_h -8.881 kJ/mol # - # Enthalpy of formation: -678.661 kJ/mol - - -+1.000Pb+2 +2.000HS- = Pb(HS)2 - log_k 15.01 #06BLA/PIA - delta_h -65.579 kJ/mol # - # Enthalpy of formation: -97.259 kJ/mol - - -+1.000Pb+2 +3.000HS- = Pb(HS)3- - log_k 16.26 #06BLA/PIA - delta_h -73.328 kJ/mol # - # Enthalpy of formation: -121.308 kJ/mol - - -+1.000Pb+2 +1.000Pyrophos-4 = PbPyrophos-2 - log_k 8.33 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pb+2 -1.000H+ +1.000H2(PO4)- = PbHPO4 - log_k -4.11 #74NRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pb+2 +1.000H2(PO4)- = Pb(H2PO4)+ - log_k 1.5 #74NRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pb+2 -4.000H+ +4.000H2O = Pb(OH)4-2 - log_k -38.9 #01PER/HEF - delta_h 197.474 kJ/mol # - # Enthalpy of formation: -944.926 kJ/mol - - -+1.000Co+2 +1.000SeO4-2 = Co(SeO4) - log_k 2.7 #05OLI/NOL - delta_h -3.654 kJ/mol # - # Enthalpy of formation: -664.754 kJ/mol - - -+1.000Co+2 -2.000H+ +2.000H2O = Co(OH)2 - log_k -18.6 #98PLY/ZHA - delta_h 105.707 kJ/mol # - # Enthalpy of formation: -523.553 kJ/mol - - -+1.000Co+2 -3.000H+ +3.000H2O = Co(OH)3- - log_k -31.7 #98PLY/ZHA - delta_h 160.297 kJ/mol # - # Enthalpy of formation: -754.792 kJ/mol - - -+1.000Co+2 -4.000H+ +4.000H2O = Co(OH)4-2 - log_k -46.42 #98PLY/ZHA - delta_h 214.483 kJ/mol # - # Enthalpy of formation: -986.436 kJ/mol - - -+1.000Co+2 -1.000H+ +1.000H2O = Co(OH)+ - log_k -9.23 #98PLY/ZHA - delta_h 45.962 kJ/mol # - # Enthalpy of formation: -297.468 kJ/mol - - -+2.000Co+2 -1.000H+ +1.000H2O = Co2(OH)+3 - log_k -9.83 #98PLY/ZHA - delta_h 30.03 kJ/mol # - # Enthalpy of formation: -371 kJ/mol 98PLY/ZHA - - -+4.000Co+2 -4.000H+ +4.000H2O = Co4(OH)4+4 - log_k -29.88 #98PLY/ZHA - delta_h 149.72 kJ/mol # - # Enthalpy of formation: -1224 kJ/mol 98PLY/ZHA - - -+1.000Co+2 +1.000CO3-2 = CoCO3 - log_k 4.23 #97MAR/SMI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Co+2 +1.000H+ +1.000CO3-2 = CoHCO3+ - log_k 12.22 #97MAR/SMI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Co+2 -1.000H+ +1.000H2(PO4)- = CoHPO4 - log_k -4.15 #97MAR/SMI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Co+2 +1.000SO4-2 = CoSO4 - log_k 2.3 #97MAR/SMI - delta_h 2.092 kJ/mol #74NAU/RYZ - # Enthalpy of formation: -964.848 kJ/mol - - -+1.000Co+2 +1.000HS- = CoHS+ - log_k 5.67 #66KHO - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Co+2 +2.000HS- = Co(HS)2 - log_k 8.77 #66KHO - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Co+2 +1.000S2O3-2 = CoS2O3 - log_k 2.05 #51DEN/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Co+2 +1.000F- = CoF+ - log_k 1.5 #97MAR/SMI - delta_h -0.631 kJ/mol # - # Enthalpy of formation: -393.581 kJ/mol - - -+1.000Co+2 +1.000Cl- = CoCl+ - log_k 0.57 #81TUR/WHI - delta_h -2.18 kJ/mol # - # Enthalpy of formation: -226.859 kJ/mol - - -+1.000Co+2 +2.000Cl- = CoCl2 - log_k 0.02 #06BLA/ING - delta_h 4.074 kJ/mol #06BLA/ING - # Enthalpy of formation: -387.686 kJ/mol - - -+1.000Co+2 +3.000Cl- = CoCl3- - log_k -1.71 #06BLA/ING - delta_h 6.688 kJ/mol #06BLA/ING - # Enthalpy of formation: -552.152 kJ/mol - - -+1.000Co+2 +4.000Cl- = CoCl4-2 - log_k -2.09 #06BLA/ING - delta_h 22.57 kJ/mol #06BLA/ING - # Enthalpy of formation: -703.35 kJ/mol - - -+1.000Mg+2 +1.000IO3- = Mg(IO3)+ - log_k 0.7 #estimation NEA87 08/2/95 ; - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mg+2 -1.000H+ +1.000H2O = Mg(OH)+ - log_k -11.68 #97SHO/SAS - delta_h 62.835 kJ/mol # - # Enthalpy of formation: -689.995 kJ/mol - - -+1.000Sr+2 -1.000H+ +1.000H2(PO4)- = Sr(HPO4) - log_k -4.7 #97MAR/SMI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +1.000H2(PO4)- = Sr(H2PO4)+ - log_k 0.83 #97MAR/SMI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 -2.000H+ +1.000H2(PO4)- = Sr(PO4)- - log_k -13.56 #96BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +1.000Pyrophos-4 = Sr(Pyrophos)-2 - log_k 5.4 #76SMI/MAR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +1.000S2O3-2 = Sr(S2O3) - log_k 2.04 #76SMI/MAR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ag+ -2.000H+ +2.000H2O = Ag(OH)2- - log_k -24 #76BAE/MES - delta_h 111.634 kJ/mol # - # Enthalpy of formation: -354.236 kJ/mol - - -+1.000Ag+ +2.000CO3-2 = Ag(CO3)2-3 - log_k 2.16 #97SVE/SHO - delta_h -28.044 kJ/mol # - # Enthalpy of formation: -1272.714 kJ/mol - - -+1.000Ag+ +1.000CO3-2 = AgCO3- - log_k 2.69 #97SVE/SHO - delta_h -22.832 kJ/mol # - # Enthalpy of formation: -592.272 kJ/mol - - -+1.000Ag+ +1.000NO3- = AgNO3 - log_k -0.29 #91BAL/NOR, 68WAG - delta_h -0.74 kJ/mol # - # Enthalpy of formation: -101.8 kJ/mol 82WAG/EVA - - -+1.000Ag+ +4.000Cl- = AgCl4-3 - log_k 5.51 #91BAL/NOR - delta_h -26.094 kJ/mol # - # Enthalpy of formation: -588.624 kJ/mol - - -+1.000Sr+2 -1.000H+ +1.000H2O = Sr(OH)+ - log_k -13.29 #76BAE/MES - delta_h 82.609 kJ/mol # - # Enthalpy of formation: -754.12 kJ/mol - - -+1.000Sr+2 +1.000CO3-2 = Sr(CO3) - log_k 2.81 #84BUS/PLU - delta_h 21.824 kJ/mol # - # Enthalpy of formation: -1204.306 kJ/mol - - -+1.000Sr+2 +1.000H+ +1.000CO3-2 = Sr(HCO3)+ - log_k 11.51 #84BUS/PLUS - delta_h 10.598 kJ/mol # - # Enthalpy of formation: -1215.533 kJ/mol - - -+1.000Sr+2 +1.000SO4-2 = Sr(SO4) - log_k 2.3 #06BLA/ING - delta_h 7.029 kJ/mol #06BLA/ING - # Enthalpy of formation: -1453.211 kJ/mol - - -+1.000Sr+2 +1.000Cl- = SrCl+ - log_k 0.23 #96BOU - delta_h 4.924 kJ/mol # - # Enthalpy of formation: -713.054 kJ/mol - - -+1.000Sr+2 +1.000F- = SrF+ - log_k 0.3 # - delta_h 16.74 kJ/mol # - # Enthalpy of formation: -869.51 kJ/mol - - -+1.000Sr+2 +2.000F- = SrF2 - log_k 2.02 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +1.000I- = SrI+ - log_k 0.14 #estimation NEA87 01/02/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +2.000I- = SrI2 - log_k -0.04 #estimation NEA87 01/02/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +1.000NH3 = Sr(NH3)+2 - log_k -0.55 #estimation NEA87 08/02/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +1.000NO3- = Sr(NO3)+ - log_k 0.6 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +2.000NO3- = Sr(NO3)2 - log_k 0.31 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +1.000IO3- = Sr(IO3)+ - log_k 0.33 #estimation NEA87 01/02/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +2.000IO3- = Sr(IO3)2 - log_k -0.55 #estimation NEA87 01/02/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +1.000Cn- = Sr(Cn)+ - log_k 0.71 #estimation NEA87 08/02/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +2.000Cn- = Sr(Cn)2 - log_k 0.2 #estimation NEA87 08/02/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000K+ +1.000I- = KI - log_k -1.57 #estimation NEA87 08/2/95 - delta_h 9.011 kJ/mol # - # Enthalpy of formation: -299.909 kJ/mol - - -+1.000K+ -1.000H+ +1.000H2(PO4)- = K(HPO4)- - log_k -6.4 #97MAR/SMI - delta_h 31.589 kJ/mol #97MAR/SMI - # Enthalpy of formation: -1523.151 kJ/mol - - -+1.000K+ +1.000Pyrophos-4 = K(Pyrophos)-3 - log_k 2.1 #76MAR/SMI - delta_h 7.113 kJ/mol #76MAR/SMI - # Enthalpy of formation: -2531.921 kJ/mol - - -+1.000K+ +1.000IO3- = K(IO3) - log_k 0.02 #estimation NEA87 08/2/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Na+ +1.000CO3-2 = Na(CO3)- - log_k 1.27 #90NOR/PLU - delta_h 37.279 kJ/mol #90NOR/PLU - # Enthalpy of formation: -878.291 kJ/mol - - -+1.000Mg+2 +1.000Cl- = MgCl+ - log_k 0.35 #96BOU - delta_h -1.729 kJ/mol # - # Enthalpy of formation: -635.809 kJ/mol - - -+1.000Na+ +1.000I- = NaI - log_k -1.52 #estimation NEA87 08/2/95 - delta_h 7.252 kJ/mol # - # Enthalpy of formation: -289.868 kJ/mol - - -+1.000Al+3 +1.000Ox-2 = Al(Ox)+ - log_k 9.4 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 +2.000Ox-2 = Al(Ox)2- - log_k 15.39 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 +3.000Ox-2 = Al(Ox)3-3 - log_k 18.3 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000Al+3 -2.000H+ +4.000Ox-2 +2.000H2O = Al2(Ox)4(OH)2-4 - log_k -6 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000Al+3 -3.000H+ +3.000Ox-2 +3.000H2O = Al3(Ox)3(OH)3 - log_k 16 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+4.000Al+3 -4.000H+ +4.000Ox-2 +4.000H2O = Al4(Ox)4(OH)4 - log_k 21 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 +1.000H+ +1.000Cit-3 = Al(HCit)+ - log_k 12.9 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 +1.000Cit-3 = Al(Cit) - log_k 9.9 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 -1.000H+ +1.000Cit-3 +1.000H2O = Al(OH)(Cit)- - log_k 8.1 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 +2.000Cit-3 = Al(Cit)2-3 - log_k 14.13 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 -1.000H+ +2.000Cit-3 +1.000H2O = Al(Cit)2(OH)-4 - log_k 10.19 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000Al+3 -4.000H+ +3.000Cit-3 +4.000H2O = Al3(Cit)3(OH)4-4 - log_k 20.6 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 +1.000Nta-3 = Al(Nta) - log_k 13.23 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 +1.000H+ +1.000Nta-3 = Al(HNta)+ - log_k 15.13 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 -1.000H+ +1.000Nta-3 +1.000H2O = Al(OH)(Nta)- - log_k 6.79 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 -2.000H+ +1.000Nta-3 +2.000H2O = Al(Nta)(OH)2-2 - log_k -0.3 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 +2.000Nta-3 = Al(Nta)2-3 - log_k 20.8 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 +1.000H+ +1.000Edta-4 = Al(HEdta) - log_k 21.82 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 +1.000Edta-4 = Al(Edta)- - log_k 19.08 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 -1.000H+ +1.000Edta-4 +1.000H2O = Al(OH)(Edta)-2 - log_k 13 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Na+ +1.000S2O3-2 = Na(S2O3)- - log_k 0.61 # - delta_h 4.656 kJ/mol # - # Enthalpy of formation: -887.97 kJ/mol 82WAG/EVA - - -+1.000Al+3 -2.000H+ +1.000Edta-4 +2.000H2O = Al(OH)2(Edta)-3 - log_k 2.3 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 -2.000H+ +1.000F- +2.000H2O = Al(OH)2F - log_k -4.21 # - delta_h 118.636 kJ/mol # - # Enthalpy of formation: -1326.774 kJ/mol 01TAG/SCH - - -+1.000Al+3 -2.000H+ +2.000F- +2.000H2O = Al(OH)2F2- - log_k -1.99 # - delta_h 134.839 kJ/mol # - # Enthalpy of formation: -1645.921 kJ/mol 01TAG/SCH - - -+1.000Al+3 -1.000H+ +1.000H4(SiO4) = AlH3SiO4+2 - log_k -2.38 #01TAG/SCH - delta_h 77.389 kJ/mol # - # Enthalpy of formation: -1922.205 kJ/mol - - -+1.000Al+3 -1.000H+ +2.000F- +1.000H2O = AlOHF2 - log_k 0.21 # - delta_h 139.337 kJ/mol # - # Enthalpy of formation: -1355.593 kJ/mol 01TAG/SCH - - -+1.000Na+ +1.000Al+3 -4.000H+ +4.000H2O = NaAl(OH)4 - log_k -23.63 # - delta_h 190.348 kJ/mol # - # Enthalpy of formation: -1731.712 kJ/mol 95POK/HEL - - -+1.000Al+3 +1.000H+ +1.000Ox-2 = Al(HOx)+2 - log_k 7.5 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Na+ +1.000IO3- = Na(IO3) - log_k 0.06 #estimation NEA87 08/2/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000SO4-2 = Fe(SO4)+ - log_k 4.1 #95BOU in 98CHI - delta_h 16.359 kJ/mol # - # Enthalpy of formation: -941.981 kJ/mol - - -+1.000Fe+3 +1.000Cl- = FeCl+2 - log_k 1.4 #95BOU in 98CHI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +2.000Cl- = FeCl2+ - log_k 2.1 #95BOU in 98CHI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mg+2 -1.000H+ +1.000H4(SiO4) = Mg(H3SiO4)+ - log_k -8.58 #97SVE/SHO - delta_h 27.114 kJ/mol # - # Enthalpy of formation: -1901.08 kJ/mol - - -+1.000Cs+ +1.000Cit-3 = Cs(Cit)-2 - log_k 0.98 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mg+2 +1.000Br- = MgBr+ - log_k -0.14 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cs+ +1.000Edta-4 = Cs(Edta)-3 - log_k 1.3 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cs+ +1.000Nta-3 = Cs(Nta)-2 - log_k 0.85 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cs+ +1.000Br- = CsBr - log_k 0.09 # - delta_h 5.922 kJ/mol # - # Enthalpy of formation: -373.488 kJ/mol - - -+1.000Mg+2 +1.000SeO4-2 = Mg(SeO4) - log_k 2.2 #05OLI/NOL - delta_h -6.614 kJ/mol # - # Enthalpy of formation: -1077.114 kJ/mol - - -+1.000Fe+3 +1.000F- = FeF+2 - log_k 6.13 #92PEA/BER in 98CHI - delta_h 11.297 kJ/mol # - # Enthalpy of formation: -373.053 kJ/mol - - -+1.000Fe+3 +2.000F- = FeF2+ - log_k 10.8 #92PEA/BER in 98CHI - delta_h 19.665 kJ/mol # - # Enthalpy of formation: -700.035 kJ/mol - - -+1.000Mg+2 +2.000I- = MgI2 - log_k 0.03 #estimation NEA87 08/2/95 ; - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +3.000F- = FeF3 - log_k 14 #92PEA/BER in 98CHI - delta_h 22.595 kJ/mol # - # Enthalpy of formation: -1032.455 kJ/mol - - -+1.000Fe+3 -1.000H+ +1.000H2(PO4)- = Fe(HPO4)+ - log_k 1.63 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000H2(PO4)- = Fe(H2PO4)+2 - log_k 5.42 #USGS original - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 -1.000H+ +1.000H4(SiO4) = Fe(H3SiO4)+2 - log_k 0.36 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +1.000Ox-2 = Sn(Ox) - log_k 6.5 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +1.000H+ +1.000CO3-2 = SnHCO3+ - log_k 14.9 #87BRO/WAN estimated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +2.000Ox-2 = Sn(Ox)2-2 - log_k 12.9 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 -1.000H+ +1.000Cl- +1.000H2O = Sn(OH)Cl - log_k -3.1 #52VAN/RHO recalculated in 02HUM/BER - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +3.000Ox-2 = Sn(Ox)3-4 - log_k 17.1 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +1.000Cit-3 = Sn(Cit)- - log_k 8.7 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +2.000Cit-3 = Sn(Cit)2-4 - log_k 11.9 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +1.000Nta-3 = Sn(Nta)- - log_k 13.4 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +2.000H+ +1.000Edta-4 = Sn(H2Edta) - log_k 24.3 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +1.000H+ +1.000Edta-4 = Sn(HEdta)- - log_k 23.4 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +1.000Edta-4 = Sn(Edta)-2 - log_k 24.6 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +2.000CO3-2 = Sn(CO3)2-2 - log_k 17.85 #87BRO/WAN estimated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +1.000CO3-2 = Sn(CO3) - log_k 9.72 #87BRO/WAN estimated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 -1.000H+ +1.000H2(PO4)- = SnHPO4 - log_k 2.29 #00CIA/MUL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 -2.000H+ +1.000H2(PO4)- = SnPO4- - log_k -1.56 #00CIA/MUL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +4.000Cl- = SnCl4-2 - log_k 3.33 #62HAI/ZOL in 99LOT/OCH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000H+ +1.000SeO3-2 = Fe(HSeO3)+2 - log_k 12.35 #01SEB/POT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 -1.000H+ +1.000H2O = Fe(OH)+2 - log_k -2.19 #76BAE/MES in 98CHI - delta_h 43.514 kJ/mol # - # Enthalpy of formation: -291.316 kJ/mol - - -+1.000Fe+3 -2.000H+ +2.000H2O = Fe(OH)2+ - log_k -5.67 #76BAE/MES in 98CHI - delta_h 71.546 kJ/mol # - # Enthalpy of formation: -549.114 kJ/mol - - -+1.000Fe+3 -3.000H+ +3.000H2O = Fe(OH)3 - log_k -12.56 #91PEA/VER in 98CHI - delta_h 103.764 kJ/mol # - # Enthalpy of formation: -802.726 kJ/mol - - -+1.000Fe+3 -4.000H+ +4.000H2O = Fe(OH)4- - log_k -21.6 #76BAE/MES in 76CHI - delta_h 133.471 kJ/mol # - # Enthalpy of formation: -1058.849 kJ/mol - - -+1.000Sn+4 +4.000CO3-2 = Sn(CO3)4-4 - log_k 38.14 #87BRO/WAN estimated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+4 +5.000CO3-2 = Sn(CO3)5-6 - log_k 44.47 #87BRO/WAN estimated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+4 +2.000Cl- = SnCl2+2 - log_k 10.22 #78FAT/ROU recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+4 +3.000Cl- = SnCl3+ - log_k 13.62 #78FAT/ROU recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+4 +4.000Cl- = SnCl4 - log_k 14.85 #78FAT/ROU recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+4 +5.000Cl- = SnCl5- - log_k 16.6 #78FAT/ROU recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+4 +6.000Cl- = SnCl6-2 - log_k 17.24 #78FAT/ROU recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000Fe+3 -2.000H+ +2.000H2O = Fe2(OH)2+4 - log_k -2.95 #91PEA/BER in 98CHI - delta_h 56.484 kJ/mol # - # Enthalpy of formation: -613.175 kJ/mol - - -+1.000Fe+2 +1.000Cl- = FeCl+ - log_k 0.14 #91PEA/BER in 98CHI - delta_h -0.078 kJ/mol # - # Enthalpy of formation: -257.158 kJ/mol - - -+1.000Fe+2 -1.000H+ +1.000H2(PO4)- = Fe(HPO4) - log_k -3.61 #USGS original - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +1.000H2(PO4)- = Fe(H2PO4)+ - log_k 2.69 #USGS original - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +1.000H+ +1.000Ox-2 = Th(HOx)+3 - log_k 11 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +1.000Ox-2 = Th(Ox)+2 - log_k 9.8 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +2.000H+ +2.000Ox-2 = Th(HOx)2+2 - log_k 18.13 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +2.000Ox-2 = Th(Ox)2 - log_k 17.5 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +3.000Ox-2 = Th(Ox)3-2 - log_k 26.4 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +4.000Ox-2 = Th(Ox)4-4 - log_k 29.6 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +4.000H+ +4.000Ox-2 = Th(HOx)4 - log_k 24.3 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000Th+4 -1.000H+ +1.000Ox-2 +1.000H2O = Th2(Ox)(OH)+5 - log_k 26.24 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +1.000Cit-3 = Th(Cit)+ - log_k 16.8 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +2.000Cit-3 = Th(Cit)2-2 - log_k 25.8 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +1.000Nta-3 = Th(Nta)+ - log_k 17.15 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 -1.000H+ +1.000Nta-3 +1.000H2O = Th(OH)(Nta) - log_k 25.2 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 -2.000H+ +1.000Nta-3 +2.000H2O = Th(OH)2(Nta)- - log_k 35.2 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +1.000H+ +1.000Edta-4 = Th(HEdta)+ - log_k 28.7 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +1.000Edta-4 = Th(Edta) - log_k 26.95 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 -1.000H+ +1.000Edta-4 +1.000H2O = Th(OH)(Edta)- - log_k 19.5 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+4.000Th+4 -12.000H+ +12.000H2O = Th4(OH)12+4 - log_k -26.6 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +3.000SO4-2 = Th(SO4)3-2 - log_k 10.75 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 -1.000H+ +4.000CO3-2 +1.000H2O = Th(OH)(CO3)4-5 - log_k 21.6 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 -2.000H+ +1.000CO3-2 +2.000H2O = Th(OH)2(CO3) - log_k 2.5 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 -2.000H+ +2.000CO3-2 +2.000H2O = Th(OH)2(CO3)2-2 - log_k 8.8 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 -4.000H+ +1.000CO3-2 +4.000H2O = Th(OH)4(CO3)-2 - log_k -15.6 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 -3.000H+ +1.000HIsa- +3.000H2O = Th(OH)3(HIsa) - log_k -5.65 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 -3.000H+ +2.000HIsa- +3.000H2O = Th(OH)3(HIsa)2- - log_k -4.9 #09RAI/YUI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 -4.000H+ +1.000HIsa- +4.000H2O = Th(OH)4(HIsa)- - log_k -11.4 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 -4.000H+ +2.000HIsa- +4.000H2O = Th(OH)4(HIsa)2-2 - log_k -12.5 #09RAI/YUI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +1.000Th+4 -4.000H+ +2.000HIsa- +4.000H2O = CaTh(OH)4(HIsa)2 - log_k -3.6 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 -3.000H+ +1.000HGlu- +3.000H2O = Th(OH)3(HGlu) - log_k -6.7 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 -4.000H+ +1.000HGlu- +4.000H2O = Th(OH)4(HGlu)- - log_k -11.5 #11COL/GRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000Th+4 -2.000H+ +2.000Edta-4 +2.000H2O = (Th(OH)(Edta))2-2 - log_k 43.7 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+4.000Ca+2 +1.000Th+4 -8.000H+ +8.000H2O = Ca4Th(OH)8+4 - log_k -63.1 #08ALT/NEC - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000Th+4 -3.000H+ +3.000H2O = Th2(OH)3+5 - log_k -6.8 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+6.000Th+4 -14.000H+ +14.000H2O = Th6(OH)14+10 - log_k -36.8 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +2.000NO3- = Th(NO3)2+2 - log_k 2.3 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +1.000H+ +2.000H2(PO4)- = Th(H3PO4)(H2PO4)+3 - log_k 9.7 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +1.000H2(PO4)- = Th(H2PO4)+3 - log_k 5.59 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +2.000H2(PO4)- = Th(H2PO4)2+2 - log_k 10.48 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +1.000H+ +1.000H2(PO4)- = Th(H3PO4)+4 - log_k 4.03 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 -1.000H+ +1.000H4(SiO4) = UO2SiO(OH)3+ - log_k -1.84 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000UO2+2 +2.000Cit-3 = (UO2)2(Cit)2-2 - log_k 21.3 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+11.000UO2+2 -12.000H+ +6.000CO3-2 +12.000H2O = (UO2)11(CO3)6(OH)12-2 - log_k 36.43 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 -6.000H+ -6.000e- +1.000Br- +3.000H2O = UO2BrO3+ - log_k -145.54 #92GRE/FUG - delta_h 912.3 kJ/mol # - # Enthalpy of formation: -1085.6 kJ/mol - - -+1.000UO2+2 -6.000H+ -6.000e- +1.000Cl- +3.000H2O = UO2ClO3+ - log_k -145.74 #92GRE/FUG - delta_h 916.67 kJ/mol #92GRE/FUG - # Enthalpy of formation: -1126.9 kJ/mol - - -+1.000UO2+2 +1.000Ox-2 = UO2(Ox) - log_k 7.13 #05HUM/AND - delta_h 25.36 kJ/mol # - # Enthalpy of formation: -1824.3 kJ/mol 05HUM/AND - - -+1.000UO2+2 +2.000Ox-2 = UO2(Ox)2-2 - log_k 11.65 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +3.000Ox-2 = UO2(Ox)3-4 - log_k 13.8 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +1.000H+ +1.000Cit-3 = UO2(HCit) - log_k 11.36 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +1.000Cit-3 = UO2(Cit)- - log_k 8.96 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +1.000H+ +1.000Nta-3 = UO2(HNta) - log_k 9 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +1.000Nta-3 = UO2(Nta)- - log_k 10.8 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +1.000H+ +1.000Edta-4 = UO2(HEdta)- - log_k 19.61 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +1.000Edta-4 = UO2(Edta)-2 - log_k 13.7 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000UO2+2 +1.000Edta-4 = (UO2)2(Edta) - log_k 20.6 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +3.000SO4-2 = UO2(SO4)3-4 - log_k 3.02 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +2.000SeO4-2 = UO2(SeO4)2-2 - log_k 3.1 #99DJO/PIZ recalculated in 05OLI/NOL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 -6.000H+ -6.000e- +1.000I- +3.000H2O = UO2IO3+ - log_k -109.56 #92GRE/FUG - delta_h 704.37 kJ/mol # - # Enthalpy of formation: -1228.9 kJ/mol - - -+1.000UO2+2 -12.000H+ -12.000e- +2.000I- +6.000H2O = UO2(IO3)2 - log_k -219.54 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +1.000HIsa- = UO2(HIsa)+ - log_k 3.7 #04RAO/GAR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +2.000HIsa- = UO2(HIsa)2 - log_k 6.6 #04RAO/GAR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +3.000HIsa- = UO2(HIsa)3- - log_k 8.5 #04RAO/GAR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 -4.000H+ +1.000HIsa- +4.000H2O = UO2(OH)4(HIsa)-3 - log_k -28.1 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 -1.000H+ +1.000H2O = Fe(OH)+ - log_k -9.5 #76BAE/MES in 99CHIa - delta_h 55.304 kJ/mol # - # Enthalpy of formation: -320.526 kJ/mol - - -+1.000Fe+2 +1.000SeO4-2 = Fe(SeO4) - log_k 2.71 #01SEB/POT - delta_h -12.601 kJ/mol # - # Enthalpy of formation: -706.101 kJ/mol - - -+1.000Mn+2 +1.000H+ +1.000CO3-2 = Mn(HCO3)+ - log_k 11.61 #95CHI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +1.000SO4-2 = Mn(SO4) - log_k 2.25 #95CHI - delta_h 14.1 kJ/mol # - # Enthalpy of formation: -1115.99 kJ/mol - - -+1.000Mn+2 +1.000Cl- = MnCl+ - log_k 0.3 # - delta_h 18.466 kJ/mol # - # Enthalpy of formation: -369.364 kJ/mol - - -+1.000Mn+2 +2.000Cl- = MnCl2 - log_k 0.25 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +3.000Cl- = MnCl3- - log_k -0.31 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +1.000I- = MnI+ - log_k 0.23 #estimation NEA87 08/2/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +1.000NH3 = Mn(NH3)+2 - log_k 0.7 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +2.000NH3 = Mn(NH3)2+2 - log_k 1.2 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 -1.000H+ +1.000H2(PO4)- = Mn(HPO4) - log_k -3.26 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +1.000Pyrophos-4 = Mn(Pyrophos)-2 - log_k 6 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +1.000S2O3-2 = Mn(S2O3) - log_k 1.9 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000PuO2+2 +1.000NO3- = PuO2NO3+ - log_k 0.3 #In analogy to U - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000PuO2+2 +1.000Ox-2 = PuO2(Ox) - log_k 7 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000PuO2+2 +2.000Ox-2 = PuO2(Ox)2-2 - log_k 10.5 #73POR/PAO in 96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000PuO2+2 +1.000Nta-3 = PuO2(Nta)- - log_k 11 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000PuO2+ -1.000H+ +1.000H2O = PuO2OH - log_k -11.3 #01LEM/FUG - delta_h 71.826 kJ/mol # - # Enthalpy of formation: -1124.131 kJ/mol - - -+1.000PuO2+ +1.000CO3-2 = PuO2CO3- - log_k 5.12 #01LEM/FUG - delta_h 44.874 kJ/mol # - # Enthalpy of formation: -1540.483 kJ/mol - - -+1.000PuO2+ +1.000Nta-3 = PuO2(Nta)-2 - log_k 7.5 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000PuO2+ +4.000H+ +1.000e- -2.000H2O = Pu+4 - log_k 17.45 # - delta_h -201.428 kJ/mol # - # Enthalpy of formation: -539.895 kJ/mol 01LEM/FUG - - -+1.000Pu+4 +1.000Ox-2 = Pu(Ox)+2 - log_k 11.4 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 +2.000Ox-2 = Pu(Ox)2 - log_k 20.6 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 +3.000Ox-2 = Pu(Ox)3-2 - log_k 26.5 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 +4.000Ox-2 = Pu(Ox)4-4 - log_k 28.3 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 +1.000Nta-3 = Pu(Nta)+ - log_k 21 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 +1.000Edta-4 = Pu(Edta) - log_k 31.8 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 -2.000H+ +2.000CO3-2 +2.000H2O = Pu(CO3)2(OH)2-2 - log_k 16.76 #99RAI/HES - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 +1.000H+ +1.000H2(PO4)- = PuH3PO4+4 - log_k 4.54 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 -3.000H+ +1.000HIsa- +3.000H2O = Pu(OH)3(HIsa) - log_k 4.75 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 -3.000H+ +2.000HIsa- +3.000H2O = Pu(OH)3(HIsa)2- - log_k 6.86 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 -4.000H+ +1.000HIsa- +4.000H2O = Pu(OH)4(HIsa)- - log_k -3.6 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 -4.000H+ +2.000HIsa- +4.000H2O = Pu(OH)4(HIsa)2-2 - log_k 0.7 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 -3.000H+ +1.000HGlu- +3.000H2O = Pu(OH)3(HGlu) - log_k 4.75 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 -4.000H+ +1.000HGlu- +4.000H2O = Pu(OH)4(HGlu)- - log_k -2.7 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+3 -2.000H+ +1.000H2(PO4)- = PuPO4 - log_k -7.92 #Estimated by correlation with An(III) in function of ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+3 -4.000H+ +2.000H2(PO4)- = Pu(PO4)2-3 - log_k -19.73 #Estimated by correlation with An(III) in function of ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+3 +1.000H2(PO4)- = Pu(H2PO4)+2 - log_k 2.2 #10RAI/MOO - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+3 +1.000Nta-3 = Pu(Nta) - log_k 13.1 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+3 +1.000H+ +1.000Edta-4 = Pu(HEdta) - log_k 22.02 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+3 +1.000Edta-4 = Pu(Edta)- - log_k 20.18 #05HUM/AND - delta_h -8.7 kJ/mol # - # Enthalpy of formation: -2305.29 kJ/mol - - -+1.000Mn+2 +1.000Scn- = Mn(Scn)+ - log_k 1.4 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +1.000IO3- = Mn(IO3)+ - log_k 0.84 #estimation NEA87 08/2/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +2.000IO3- = Mn(IO3)2 - log_k 0.13 #estimation NEA87 08/2/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +1.000SeO4-2 = Mn(SeO4) - log_k 2.43 #05OLI/NOL - delta_h -1.282 kJ/mol # - # Enthalpy of formation: -825.582 kJ/mol - - -+1.000Mn+2 -1.000H+ +1.000H2O = Mn(OH)+ - log_k -10.59 #95CHI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 -3.000H+ +3.000H2O = Mn(OH)3- - log_k -34.8 #95CHI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000U+4 -2.000H+ +2.000H2O = U(OH)2+2 - log_k -1.1 #01NEC/KIM - delta_h 59.974 kJ/mol # - # Enthalpy of formation: -1102.886 kJ/mol - - -+1.000U+4 -3.000H+ +3.000H2O = U(OH)3+ - log_k -4.7 #01NEC/KIM - delta_h 82.944 kJ/mol # - # Enthalpy of formation: -1365.746 kJ/mol - - -+1.000U+4 +1.000Nta-3 = U(Nta)+ - log_k 20 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000U+4 +1.000Edta-4 = U(Edta) - log_k 29.5 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000U+4 -1.000H+ +1.000Edta-4 +1.000H2O = U(OH)(Edta)- - log_k 24.6 #63ERM/KRO - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000U+4 -3.000H+ +1.000HIsa- +3.000H2O = U(OH)3(HIsa) - log_k 0.29 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000U+4 -3.000H+ +2.000HIsa- +3.000H2O = U(OH)3(HIsa)2- - log_k 2.4 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000U+4 -4.000H+ +1.000HIsa- +4.000H2O = U(OH)4(HIsa)- - log_k -6.7 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000U+4 -4.000H+ +2.000HIsa- +4.000H2O = U(OH)4(HIsa)2-2 - log_k -5.1 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000U+4 -3.000H+ +1.000HGlu- +3.000H2O = U(OH)3(HGlu) - log_k 0.29 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000U+4 -4.000H+ +1.000HGlu- +4.000H2O = U(OH)4(HGlu)- - log_k -5.94 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000U+4 -2.000H+ +1.000Edta-4 +2.000H2O = U(OH)2(Edta)-2 - log_k 16.5 #63ERM/KRO - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000U+4 -2.000H+ +2.000Edta-4 +2.000H2O = (U(OH)(Edta))2-2 - log_k 51.7 #63ERM/KRO - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+3 -2.000H+ +1.000H2(PO4)- = NpPO4 - log_k -7.83 #Estimated by correlation with An(III) in function of ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+3 -4.000H+ +2.000H2(PO4)- = Np(PO4)2-3 - log_k -19.57 #Estimated by correlation with An(III) in function of ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+3 -1.000H+ +1.000H2(PO4)- = NpHPO4+ - log_k -1.78 #Estimated by correlation with An(III) in function of ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+3 +1.000Nta-3 = Np(Nta) - log_k 13 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+3 +1.000Edta-4 = Np(Edta)- - log_k 19.9 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+3 -2.000H+ +2.000H2(PO4)- = Np(HPO4)2- - log_k -5.38 #Estimated by correlation with An(III) in function of ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 -2.000H+ +2.000H2O = Np(OH)2+2 - log_k 0.35 #03GUI/FAN - delta_h 54.53 kJ/mol # - # Enthalpy of formation: -1073.152 kJ/mol - - -+1.000Np+4 -3.000H+ +3.000H2O = Np(OH)3+ - log_k -2.8 #01NEC/KIM, 99NEC - delta_h 74.932 kJ/mol # - # Enthalpy of formation: -1338.58 kJ/mol - - -+1.000Np+4 -4.000H+ +1.000CO3-2 +4.000H2O = Np(OH)4(CO3)-2 - log_k -6.83 #93ERI/NDA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 -2.000H+ +2.000CO3-2 +2.000H2O = Np(OH)2(CO3)2-2 - log_k 15.17 #99RAI/HES - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 +1.000Br- = NpBr+3 - log_k 1.55 #Estimated by correlation with An(IV) in function of ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 +1.000Ox-2 = Np(Ox)+2 - log_k 12.4 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 +1.000Nta-3 = Np(Nta)+ - log_k 20.7 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 +2.000Nta-3 = Np(Nta)2-2 - log_k 36.3 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 +1.000Edta-4 = Np(Edta) - log_k 31.2 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 -4.000H+ +1.000HIsa- +4.000H2O = Np(OH)4(HIsa)- - log_k -4.06 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 -4.000H+ +2.000HIsa- +4.000H2O = Np(OH)4(HIsa)2-2 - log_k -2.2 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 -3.000H+ +1.000HIsa- +3.000H2O = Np(OH)3(HIsa) - log_k 3.27 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 -3.000H+ +2.000HIsa- +3.000H2O = Np(OH)3(HIsa)2- - log_k 5.38 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 -3.000H+ +1.000HGlu- +3.000H2O = Np(OH)3(HGlu) - log_k 3.27 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 -4.000H+ +1.000HGlu- +4.000H2O = Np(OH)4(HGlu)- - log_k -3.7 #06GAO/MON - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+ -2.000H+ +2.000H2O = NpO2(OH)2- - log_k -23.6 #01LEM/FUG - delta_h 118.61 kJ/mol # - # Enthalpy of formation: -1431.23 kJ/mol - - -+1.000NpO2+ -1.000H+ +2.000CO3-2 +1.000H2O = NpO2(CO3)2OH-4 - log_k -5.31 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+ +1.000Ox-2 = NpO2(Ox)- - log_k 3.9 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+ +2.000Ox-2 = NpO2(Ox)2-3 - log_k 5.8 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+ +1.000Cit-3 = NpO2(Cit)-2 - log_k 3.68 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+ +1.000H+ +1.000Nta-3 = NpO2(HNta)- - log_k 11.7 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+ +1.000Nta-3 = NpO2(Nta)-2 - log_k 7.46 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+ -1.000H+ +1.000Nta-3 +1.000H2O = NpO2(OH)(Nta)-3 - log_k -4.7 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+ +1.000H+ +1.000Edta-4 = NpO2(HEdta)-2 - log_k 17.06 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+ +1.000Edta-4 = NpO2(Edta)-3 - log_k 9.23 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+ +4.000H+ +1.000e- -2.000H2O = Np+4 - log_k 10.21 # - delta_h -149.501 kJ/mol # - # Enthalpy of formation: -556.022 kJ/mol 01LEM/FUG - - -+1.000NpO2+ -1.000H+ +1.000H2(PO4)- = NpO2HPO4- - log_k -4.26 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+ +2.000H+ +1.000Edta-4 = NpO2(H2Edta)- - log_k 22.51 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000NpO2+2 -3.000H+ +1.000CO3-2 +3.000H2O = (NpO2)2CO3(OH)3- - log_k -2.87 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000NpO2+2 -2.000H+ +2.000H2O = (NpO2)2(OH)2+2 - log_k -6.27 #01LEM/FUG - delta_h 44.996 kJ/mol # - # Enthalpy of formation: -2248.13 kJ/mol - - -+1.000NpO2+2 -2.000H+ +2.000H2(PO4)- = NpO2(HPO4)2-2 - log_k -4.92 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+2 +1.000Nta-3 = NpO2(Nta)- - log_k 11 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+2 +1.000H2(PO4)- = NpO2H2PO4+ - log_k 3.32 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000NpO2+2 -5.000H+ +5.000H2O = (NpO2)3(OH)5+ - log_k -17.12 #01LEM/FUG - delta_h 110.667 kJ/mol # - # Enthalpy of formation: -3900.682 kJ/mol - - -+1.000TcO(OH)2 +1.000H+ +1.000Nta-3 -1.000H2O = TcO(OH)(Nta)-2 - log_k 13.3 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000TcO(OH)2 +2.000H+ +1.000CO3-2 -1.000H2O = Tc(OH)2CO3 - log_k 19.26 #99RAR/RAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000TcO(OH)2 +1.000H+ +1.000CO3-2 = Tc(OH)3CO3- - log_k 10.96 #99RAR/RAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000TcO(OH)2 +2.000H+ -2.000H2O = TcO+2 - log_k 2.58 #97NGU/LAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000TcO(OH)2 +1.000H+ +2.000Nta-3 -1.000H2O = TcO(OH)(Nta)2-5 - log_k 11.7 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000TcO(OH)2 +1.000H+ +1.000Edta-4 -1.000H2O = TcO(OH)(Edta)-3 - log_k 19 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000TcO(OH)2 -4.000H+ -3.000e- +1.000H2O = TcO4- - log_k -29.43 # - delta_h 305.75 kJ/mol # - # Enthalpy of formation: -729.4 kJ/mol 99RAR/RAN - - -+1.000Eu+3 +3.000CO3-2 = Eu(CO3)3-3 - log_k 14.8 #05VER/VIT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Eu+3 +1.000e- = Eu+2 - log_k -5.97 # - delta_h 77.729 kJ/mol # - # Enthalpy of formation: -527.602 kJ/mol 92JOH/OEL - - -+1.000Eu+3 -1.000H+ +1.000H4(SiO4) = EuSiO(OH)3+2 - log_k -2.62 #Original data 07THA/SIN and 96JEN/CHO - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Eu+3 +1.000NO3- = Eu(NO3)+2 - log_k 0.8 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Eu+3 +3.000F- = EuF3 - log_k 10.6 #95SPA/BRU - delta_h -8.343 kJ/mol # - # Enthalpy of formation: -1619.724 kJ/mol - - -+1.000Ba+2 +1.000CO3-2 = Ba(CO3) - log_k 2.71 #86BUS/PLU - delta_h 14.841 kJ/mol #86BUS/PLU - # Enthalpy of formation: -1195.189 kJ/mol - - -+1.000Ba+2 +1.000SO4-2 = Ba(SO4) - log_k 2.7 #76SMI/MAR - delta_h 7.367 kJ/mol # - # Enthalpy of formation: -1436.773 kJ/mol - - -+1.000Sm+3 +3.000CO3-2 = Sm(CO3)3-3 - log_k 14.8 #05VER/VIT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sm+3 -1.000H+ +1.000H4(SiO4) = SmSiO(OH)3+2 - log_k -2.62 #Orginal data 07THA/SIN and 96JEN/CHO - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sm+3 +2.000F- = SmF2+ - log_k 6.43 #Original data 99SCH/BYR and 04LUO/BYR - delta_h 18.85 kJ/mol # - # Enthalpy of formation: -1343.049 kJ/mol - - --2.000H+ -2.000e- +1.000I- +1.000H2O = IO- - log_k -44 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Na+ +1.000H+ +1.000CO3-2 = Na(HCO3) - log_k 10.08 #90NOR/PLU - delta_h -26.127 kJ/mol # - # Enthalpy of formation: -941.697 kJ/mol - - -+1.000H+ +1.000Cit-3 = H(Cit)-2 - log_k 6.36 #05HUM/AND - delta_h 3.3 kJ/mol # - # Enthalpy of formation: -1516.62 kJ/mol - - -+1.000Na+ +1.000F- = NaF - log_k -0.45 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel - delta_h -12.552 kJ/mol # - # Enthalpy of formation: -588.242 kJ/mol - - -+1.000Na+ -1.000H+ +1.000H2(PO4)- = Na(HPO4)- - log_k -6.34 #97MAR/SMI - delta_h 34.936 kJ/mol #97MAR/SMI - # Enthalpy of formation: -1508.004 kJ/mol - - -+2.000H+ +1.000Cit-3 = H2(Cit)- - log_k 11.14 #05HUM/AND - delta_h 0.9 kJ/mol # - # Enthalpy of formation: -1519.02 kJ/mol - - -+2.000H+ +2.000e- = H2 - log_k -3.08 # - delta_h -4.2 kJ/mol # - # Enthalpy of formation: -4.2 kJ/mol 82WAG/EVA - - -+3.000H+ +1.000Cit-3 = H3(Cit) - log_k 14.27 #05HUM/AND - delta_h -3.6 kJ/mol # - # Enthalpy of formation: -1523.52 kJ/mol - - -+1.000Eu+3 -4.000H+ +4.000H2O = Eu(OH)4- - log_k -40.7 #07NEC/ALT - delta_h 296.791 kJ/mol # - # Enthalpy of formation: -1451.86 kJ/mol - - -+1.000H+ +1.000Ox-2 = H(Ox)- - log_k 4.25 #05HUM/AND - delta_h 7.3 kJ/mol # - # Enthalpy of formation: -823.36 kJ/mol - - -+2.000H+ +1.000Ox-2 = H2(Ox) - log_k 5.65 #05HUM/AND - delta_h 10.6 kJ/mol #05HUM/AND - # Enthalpy of formation: -820.06 kJ/mol - - -+1.000H+ +1.000Nta-3 = H(Nta)-2 - log_k 10.28 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000H+ +1.000Nta-3 = H2(Nta)- - log_k 13.2 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000H+ +1.000Nta-3 = H3(Nta) - log_k 15.33 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+4.000H+ +1.000Nta-3 = H4(Nta)+ - log_k 16.13 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H+ +1.000Edta-4 = H(Edta)-3 - log_k 11.24 #05HUM/AND - delta_h -19.8 kJ/mol # - # Enthalpy of formation: -1724.6 kJ/mol - - -+2.000H+ +1.000Edta-4 = H2(Edta)-2 - log_k 18.04 #05HUM/AND - delta_h -35 kJ/mol # - # Enthalpy of formation: -1739.8 kJ/mol - - -+3.000H+ +1.000Edta-4 = H3(Edta)- - log_k 21.19 #05HUM/AND - delta_h -27.9 kJ/mol # - # Enthalpy of formation: -1732.7 kJ/mol - - -+4.000H+ +1.000Edta-4 = H4(Edta) - log_k 23.42 #05HUM/AND - delta_h -26 kJ/mol # - # Enthalpy of formation: -1730.8 kJ/mol - - -+5.000H+ +1.000Edta-4 = H5(Edta)+ - log_k 24.72 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+6.000H+ +1.000Edta-4 = H6(Edta)+2 - log_k 24.22 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H+ +1.000HIsa- = H2Isa - log_k 4 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H+ +1.000HGlu- = H2Glu - log_k 3.9 #98ZUB/CAS - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H+ +1.000Cl- = HCl - log_k -0.71 #97TAG/ZOT - delta_h -12.298 kJ/mol # - # Enthalpy of formation: -179.378 kJ/mol - - -+2.000H+ +2.000e- +0.500O2 = H2O - log_k 42.99 # - delta_h -279.763 kJ/mol # - # Enthalpy of formation: -285.83 kJ/mol 89COX/WAG - - -+1.000Ba+2 +1.000NO3- = Ba(NO3)+ - log_k -0.31 # - delta_h 6.819 kJ/mol # - # Enthalpy of formation: -734.831 kJ/mol - - -+1.000Ba+2 -1.000H+ +1.000H2O = Ba(OH)+ - log_k -13.47 #76BAE/MES - delta_h 87.395 kJ/mol # - # Enthalpy of formation: -733.235 kJ/mol - - -+1.000Cd+2 +1.000CO3-2 = Cd(CO3) - log_k 4.7 #91RAI/FEL - delta_h 4.299 kJ/mol # - # Enthalpy of formation: -746.851 kJ/mol - - -+1.000Cd+2 +1.000SO4-2 = Cd(SO4) - log_k 2.37 #97MAR/SMI - delta_h 8.7 kJ/mol #97MAR/SMI - # Enthalpy of formation: -976.56 kJ/mol - - -+1.000Cd+2 +2.000SO4-2 = Cd(SO4)2-2 - log_k 3.44 #76SMI/MAR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 +1.000Cl- = CdCl+ - log_k 1.97 #76BAE/MES - delta_h -5.52 kJ/mol # - # Enthalpy of formation: -248.52 kJ/mol - - -+1.000Cd+2 +2.000Cl- = CdCl2 - log_k 2.59 #76BAE/MES - delta_h -14.068 kJ/mol # - # Enthalpy of formation: -424.148 kJ/mol - - -+1.000Cd+2 +3.000Cl- = CdCl3- - log_k 2.4 #76BAE/MES - delta_h -25.804 kJ/mol # - # Enthalpy of formation: -602.964 kJ/mol - - -+1.000Cd+2 +4.000Cl- = CdCl4-2 - log_k 1.47 #76BAE/MES - delta_h -44.765 kJ/mol # - # Enthalpy of formation: -789.005 kJ/mol - - -+1.000Cd+2 +1.000Br- = CdBr+ - log_k 2.16 # - delta_h -7.959 kJ/mol # - # Enthalpy of formation: -205.289 kJ/mol - - -+1.000Cd+2 +2.000Br- = CdBr2 - log_k 2.92 # - delta_h -15.742 kJ/mol # - # Enthalpy of formation: -334.482 kJ/mol - - -+1.000Cd+2 +3.000Br- = CdBr3- - log_k 3.19 # - delta_h -28.845 kJ/mol # - # Enthalpy of formation: -468.995 kJ/mol - - -+1.000Cd+2 +1.000I- = CdI+ - log_k 2.09 # - delta_h -8.739 kJ/mol # - # Enthalpy of formation: -141.439 kJ/mol - - -+1.000Cd+2 +2.000I- = CdI2 - log_k 3.52 # - delta_h -18.988 kJ/mol # - # Enthalpy of formation: -208.468 kJ/mol - - -+1.000Cd+2 +3.000I- = CdI3- - log_k 4.64 # - delta_h -38.647 kJ/mol # - # Enthalpy of formation: -284.907 kJ/mol - - -+1.000Cd+2 +4.000I- = CdI4-2 - log_k 5.48 # - delta_h -75.609 kJ/mol # - # Enthalpy of formation: -378.649 kJ/mol - - -+1.000Pd+2 +3.000Br- = PdBr3- - log_k 13.75 #72ELD - delta_h -92.385 kJ/mol # - # Enthalpy of formation: -266.731 kJ/mol - - -+1.000Pd+2 +4.000Br- = PdBr4-2 - log_k 15.11 #72ELD - delta_h -126.683 kJ/mol # - # Enthalpy of formation: -422.439 kJ/mol - - -+1.000Pd+2 +3.000NH3 = Pd(NH3)3+2 - log_k 26 #68RAS/JOR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pd+2 +4.000NH3 = Pd(NH3)4+2 - log_k 32.8 #68RAS/JOR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000Pd+2 +3.000Cl- +1.000H2O = PdCl3(OH)-2 - log_k 2.31 #00BYR/YAO - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +2.000F- = SnF2 - log_k 7.74 #99LOT/OCH - delta_h -3.405 kJ/mol # - # Enthalpy of formation: -683.004 kJ/mol - - -+1.000Sn+2 +3.000F- = SnF3- - log_k 9.61 #99LOT/OCH - delta_h 6.309 kJ/mol # - # Enthalpy of formation: -1008.64 kJ/mol - - -+1.000Sn+2 +1.000Br- = SnBr+ - log_k 1.07 #01SEB/POT2 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +2.000Br- = SnBr2 - log_k 1.88 #01SEB/POT2 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +3.000Br- = SnBr3- - log_k 1.5 #01SEB/POT2 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +1.000I- = SnI+ - log_k 1.74 #68HAI/JOH recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 -1.000H+ +1.000H2O = Sn(OH)+ - log_k -3.8 #02HUM/BER - delta_h 20.153 kJ/mol # - # Enthalpy of formation: -274.577 kJ/mol - - -+1.000Sn+2 -2.000H+ +2.000H2O = Sn(OH)2 - log_k -7.7 #02HUM/BER - delta_h 40.876 kJ/mol # - # Enthalpy of formation: -539.684 kJ/mol - - -+1.000Sn+2 -3.000H+ +3.000H2O = Sn(OH)3- - log_k -17.5 #02HUM/BER - delta_h 95.277 kJ/mol # - # Enthalpy of formation: -771.113 kJ/mol - - -+3.000Sn+2 -4.000H+ +4.000H2O = Sn3(OH)4+2 - log_k -5.6 #02HUM/BER - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+4 -4.000H+ +4.000H2O = Sn(OH)4 - log_k -0.49 # - delta_h -3.35 kJ/mol # - # Enthalpy of formation: -1116.169 kJ/mol - - -+1.000Sn+4 +1.000Cl- = SnCl+3 - log_k 5.86 #78FAT/ROU recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 +1.000H+ +1.000CO3-2 = Cd(HCO3)+ - log_k 11.83 #93STI/PAR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 +2.000CO3-2 = Cd(CO3)2-2 - log_k 6.5 #91RAI/FEL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 +1.000H2(PO4)- = Cd(H2PO4)+ - log_k 1.8 #01AYA/MAD - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --2.000H+ +2.000H4(SiO4) -1.000H2O = Si2O3(OH)4-2 - log_k -19 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +2.000H4(SiO4) -1.000H2O = Si2O2(OH)5- - log_k -8.1 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --3.000H+ +3.000H4(SiO4) -3.000H2O = Si3O6(OH)3-3 - log_k -28.6 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --3.000H+ +3.000H4(SiO4) -2.000H2O = Si3O5(OH)5-3 - log_k -27.5 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --4.000H+ +4.000H4(SiO4) -4.000H2O = Si4O8(OH)4-4 - log_k -36.3 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --3.000H+ +4.000H4(SiO4) -4.000H2O = Si4O7(OH)5-3 - log_k -25.5 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --2.000H+ +1.000H4(SiO4) = H2(SiO4)-2 - log_k -23.14 #92GRE/FUG - delta_h 75 kJ/mol #92GRE/FUG - # Enthalpy of formation: -1386.194 kJ/mol - - -+1.000H+ +1.000SO4-2 = H(SO4)- - log_k 1.98 # - delta_h 22.44 kJ/mol # - # Enthalpy of formation: -886.9 kJ/mol - - -+1.000H+ +1.000NH3 = NH4+ - log_k 9.23 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: -133.26 kJ/mol 92GRE/FUG - - --1.000H+ +1.000H2(PO4)- = HPO4-2 - log_k -7.21 # - delta_h 3.6 kJ/mol # - # Enthalpy of formation: -1299 kJ/mol 89COX/WAG - - -+1.000Pd+2 +2.000Br- = PdBr2 - log_k 10.06 #72ELD - delta_h -57.708 kJ/mol # - # Enthalpy of formation: -110.645 kJ/mol - - -+1.000Pd+2 +1.000CO3-2 = Pd(CO3) - log_k 6.83 #87BRO/WAN - delta_h -8.829 kJ/mol # - # Enthalpy of formation: -494.175 kJ/mol - - -+1.000Cd+2 +1.000NH3 = Cd(NH3)+2 - log_k 2.52 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pd+2 +2.000CO3-2 = Pd(CO3)2-2 - log_k 12.53 #87BRO/WAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 +2.000NH3 = Cd(NH3)2+2 - log_k 4.87 # - delta_h -27.965 kJ/mol # - # Enthalpy of formation: -266.225 kJ/mol - - -+1.000Cd+2 +3.000NH3 = Cd(NH3)3+2 - log_k 5.93 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 +4.000NH3 = Cd(NH3)4+2 - log_k 7.3 # - delta_h -49.714 kJ/mol # - # Enthalpy of formation: -450.314 kJ/mol - - -+1.000Cd+2 +1.000Pyrophos-4 = Cd(Pyrophos)-2 - log_k 8.7 #92CLE/JOH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 +1.000Cn- = Cd(Cn)+ - log_k 5.3 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 +2.000Cn- = Cd(Cn)2 - log_k 10.34 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 +3.000Cn- = Cd(Cn)3- - log_k 14.81 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 +4.000Cn- = Cd(Cn)4-2 - log_k 18.25 # - delta_h -98.48 kJ/mol # - # Enthalpy of formation: 428.096 kJ/mol - - -+1.000Am+3 +1.000e- = Am+2 - log_k -38.88 #95SIL/BID - delta_h 262.076 kJ/mol # - # Enthalpy of formation: -354.624 kJ/mol - - -+1.000Am+3 -1.000e- +5.000CO3-2 = Am(CO3)5-6 - log_k -5.1 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000Am+3 +1.000H4(SiO4) = AmOSi(OH)3+2 - log_k -2.31 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --2.000H+ +1.000Am+3 +1.000H2(PO4)- = AmPO4 - log_k -7.76 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --4.000H+ +1.000Am+3 +2.000H2(PO4)- = Am(PO4)2-3 - log_k -19.43 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000Am+3 +1.000H2(PO4)- = Am(HPO4)+ - log_k -1.74 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --2.000H+ +1.000Am+3 +2.000H2(PO4)- = Am(HPO4)2- - log_k -5.31 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Am+3 +3.000F- = AmF3 - log_k 10.82 #69AZI/LYL - delta_h -12.119 kJ/mol # - # Enthalpy of formation: -1634.869 kJ/mol - - --3.000H+ +1.000Am+3 +1.000HIsa- +3.000H2O = Am(OH)3(HIsa)- - log_k -21.5 #05TIT/WIE - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --3.000H+ +1.000Am+3 +1.000HGlu- +3.000H2O = Am(OH)3(HGlu)- - log_k -19.7 #05TIT/WIE - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Am+3 +1.000Ox-2 = Am(Ox)+ - log_k 6.51 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Am+3 +2.000Ox-2 = Am(Ox)2- - log_k 10.71 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Am+3 +3.000Ox-2 = Am(Ox)3-3 - log_k 13 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H+ +1.000Am+3 +1.000Cit-3 = Am(HCit)+ - log_k 12.86 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Am+3 +1.000Cit-3 = Am(Cit) - log_k 8.55 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000H+ +1.000Am+3 +2.000Cit-3 = Am(HCit)2- - log_k 23.52 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Am+3 +2.000Cit-3 = Am(Cit)2-3 - log_k 13.9 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Am+3 +1.000Nta-3 = Am(Nta) - log_k 13 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Am+3 +2.000Nta-3 = Am(Nta)2-3 - log_k 22 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H+ +1.000Am+3 +1.000Edta-4 = Am(HEdta) - log_k 21.84 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Am+3 +1.000Edta-4 = Am(Edta)- - log_k 19.67 #05HUM/AND - delta_h -10.6 kJ/mol # - # Enthalpy of formation: -2332.1 kJ/mol - - -+1.000H+ +1.000Am+3 +1.000CO3-2 = Am(HCO3)+2 - log_k 13.43 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --4.000H+ +1.000Am+3 +4.000H2O = Am(OH)4- - log_k -40.7 #07NEC/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H+ +1.000Ra+2 +1.000CO3-2 = Ra(HCO3)+ - log_k 10.92 #01ILE/TWE - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ra+2 +2.000Cl- = RaCl2 - log_k -0.1 # - delta_h 0.496 kJ/mol # - # Enthalpy of formation: -861.689 kJ/mol - - -+1.000Cd+2 +1.000NO3- = Cd(NO3)+ - log_k 0.46 #74FED/ROB in 82HÖG - delta_h -21.757 kJ/mol #74NAU/RYZ in 91BAL/NOR - # Enthalpy of formation: -304.527 kJ/mol - - -+1.000Cd+2 +2.000NO3- = Cd(NO3)2 - log_k 0.17 #97CRO - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cd+2 -1.000H+ +1.000H2O = Cd(OH)+ - log_k -10.08 #81BAE/MES - delta_h 54.81 kJ/mol #81BAE/MES - # Enthalpy of formation: -306.94 kJ/mol - - -+1.000Cd+2 -2.000H+ +2.000H2O = Cd(OH)2 - log_k -20.9 #91RAI/FEL - delta_h 114.9 kJ/mol # - # Enthalpy of formation: -532.68 kJ/mol - - -+1.000Cd+2 -3.000H+ +3.000H2O = Cd(OH)3- - log_k -33.3 #81BAE/MES - delta_h 156.416 kJ/mol # - # Enthalpy of formation: -776.994 kJ/mol - - -+1.000Cd+2 -4.000H+ +4.000H2O = Cd(OH)4-2 - log_k -47.48 #91RAI/FEL - delta_h 229.571 kJ/mol # - # Enthalpy of formation: -989.669 kJ/mol - - -+4.000Cd+2 -4.000H+ +4.000H2O = Cd4(OH)4+4 - log_k -32.07 # - delta_h 172.135 kJ/mol # - # Enthalpy of formation: -1274.865 kJ/mol 99YUN/GLU - - -+1.000Fe+3 +2.000SO4-2 = Fe(SO4)2- - log_k 5.4 #91PEA/BER in 98CHI - delta_h 19.248 kJ/mol # - # Enthalpy of formation: -1848.432 kJ/mol - - -+3.000Fe+3 -4.000H+ +4.000H2O = Fe3(OH)4+5 - log_k -6.3 #76BAE/MES in 98CHI - delta_h 59.831 kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000SeO3-2 = Fe(SeO3)+ - log_k 11.15 #05OLI/NOL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000Ho+3 +1.000H2O = Ho(OH)+2 - log_k -7.9 #95SPA/BRU - delta_h 79.9 kJ/mol # - # Enthalpy of formation: -912.972 kJ/mol - - --2.000H+ +1.000Ho+3 +2.000H2O = Ho(OH)2+ - log_k -15.7 #07NEC/ALT - delta_h 143.846 kJ/mol # - # Enthalpy of formation: -1134.856 kJ/mol - - --3.000H+ +1.000Ho+3 +3.000H2O = Ho(OH)3 - log_k -26.2 #07NEC/ALT - delta_h 226.067 kJ/mol # - # Enthalpy of formation: -1338.465 kJ/mol - - --4.000H+ +1.000Ho+3 +4.000H2O = Ho(OH)4- - log_k -40.7 #07NEC/ALT - delta_h 295.822 kJ/mol # - # Enthalpy of formation: -1554.54 kJ/mol - - -+1.000Ho+3 +3.000CO3-2 = Ho(CO3)3-3 - log_k 14.8 #05VER/VIT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000Ho+3 +1.000H4(SiO4) = HoSiO(OH)3+2 - log_k -2.62 #Original data from 07THA/SIN and 96JEN/CHO - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ho+3 +2.000F- = HoF2+ - log_k 6.52 #Original data from 99SCH/BYR and 04LUO/BYR - delta_h 21.11 kJ/mol #04LUO/MIL - # Enthalpy of formation: -1356.632 kJ/mol - - -+1.000Zn+2 +1.000SeO4-2 = Zn(SeO4) - log_k 2.16 #05OLI/NOL - delta_h 4.6 kJ/mol #05OLI/NOL - # Enthalpy of formation: -752.29 kJ/mol - - -+1.000Ni+2 +1.000CO3-2 = Ni(CO3) - log_k 4.2 #03BAE/BRA in 05GAM/BUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +2.000CO3-2 = Ni(CO3)2-2 - log_k 6.2 #03BAE/BRA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +1.000H+ +1.000CO3-2 = Ni(HCO3)+ - log_k 11.73 #03BAE/BRA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +1.000SO4-2 = Ni(SO4) - log_k 2.35 #05GAM/BUG - delta_h 5.66 kJ/mol #05GAM/BUG - # Enthalpy of formation: -958.692 kJ/mol - - -+1.000Ni+2 +2.000SO4-2 = Ni(SO4)2-2 - log_k 3.01 #89BAE/McK - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +1.000F- = NiF+ - log_k 1.43 #05GAM/BUG - delta_h 9.5 kJ/mol #05GAM/BUG - # Enthalpy of formation: -380.862 kJ/mol - - -+1.000Ni+2 -1.000H+ +1.000H2(PO4)- = Ni(HPO4) - log_k -4.16 #05GAM/BUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000AmO2+ +1.000H2O = AmO2OH - log_k -11.3 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --2.000H+ +1.000AmO2+ +2.000H2O = AmO2(OH)2- - log_k -23.6 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000AmO2+ +1.000CO3-2 = AmO2(CO3)- - log_k 5.1 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000AmO2+ +2.000CO3-2 = AmO2(CO3)2-3 - log_k 6.7 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000AmO2+ +3.000CO3-2 = AmO2(CO3)3-5 - log_k 5.1 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 -2.000H+ +2.000H2O = Fe(OH)2 - log_k -20.6 #76BAE/MES in 99CHIa - delta_h 119.662 kJ/mol # - # Enthalpy of formation: -541.998 kJ/mol - - -+1.000Fe+2 -3.000H+ +3.000H2O = Fe(OH)3- - log_k -31.9 #76BAE/MES in 99CHIa - delta_h 138.072 kJ/mol # - # Enthalpy of formation: -809.418 kJ/mol - - -+1.000Fe+2 +1.000H+ +1.000SO4-2 = Fe(HSO4)+ - log_k 3.07 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +1.000CO3-2 = Fe(CO3) - log_k 5.69 #99CHIb - delta_h -5.764 kJ/mol # - # Enthalpy of formation: -770.994 kJ/mol - - -+1.000Fe+2 +1.000F- = FeF+ - log_k 1 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+2 +1.000SO4-2 = Fe(SO4) - log_k 2.2 #91PEA/BER in 98CHI - delta_h 13.514 kJ/mol # - # Enthalpy of formation: -985.826 kJ/mol - - -+3.000H+ +1.000Nb(OH)6- +1.000Ox-2 -4.000H2O = NbO2(HOx) - log_k 13.7 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000H+ +1.000Nb(OH)6- -3.000H2O = Nb(OH)3+2 - log_k 7.5 #97PEI/NGU - delta_h -10.23 kJ/mol #97PEI/NGU - # Enthalpy of formation: -1078.405 kJ/mol - - -+4.000H+ +1.000Nb(OH)6- +2.000Ox-2 -4.000H2O = NbO2(HOx)2- - log_k 20.96 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000H+ +1.000Nb(OH)6- +1.000Ox-2 -4.000H2O = NbO2(Ox)- - log_k 10.94 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+5.000H+ +1.000Nb(OH)6- +1.000Cit-3 -4.000H2O = NbO2(H3Cit)+ - log_k 25.64 #96AKR/BOU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +1.000NO3- = Ni(NO3)+ - log_k 0.5 #05GAM/BUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +2.000NO3- = Ni(NO3)2 - log_k -0.6 #76SMI/MAR in 89BAE/McK - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 +1.000SeO4-2 = Ni(SeO4) - log_k 2.67 #05OLI/NOL - delta_h -0.675 kJ/mol # - # Enthalpy of formation: -659.187 kJ/mol - - -+1.000Ni+2 -1.000H+ +1.000H2O = Ni(OH)+ - log_k -9.54 #05GAM/BUG - delta_h 53.8 kJ/mol #05GAM/BUG - # Enthalpy of formation: -287.042 kJ/mol - - -+1.000Ni+2 -2.000H+ +2.000H2O = Ni(OH)2 - log_k -18 #49GAY/GAR reevaluated in 05GAM/BUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 -3.000H+ +3.000H2O = Ni(OH)3- - log_k -29.38 #49GAY/GAR reevaluated in 05GAM/BUG - delta_h 121.2 kJ/mol #05GAM/BUG - # Enthalpy of formation: -791.302 kJ/mol - - -+2.000Ni+2 -1.000H+ +1.000H2O = Ni2(OH)+3 - log_k -10.6 #05GAM/BUG - delta_h 45.9 kJ/mol #05GAM/BUG - # Enthalpy of formation: -349.954 kJ/mol - - -+4.000Ni+2 -4.000H+ +4.000H2O = Ni4(OH)4+4 - log_k -27.52 #05GAM/BUG - delta_h 190 kJ/mol #05GAM/BUG - # Enthalpy of formation: -1173.368 kJ/mol - - -+1.000Pb+2 +1.000CO3-2 = Pb(CO3) - log_k 7 #06BLA/PIA - delta_h -3.015 kJ/mol # - # Enthalpy of formation: -677.325 kJ/mol - - -+1.000Pb+2 +2.000CO3-2 = Pb(CO3)2-2 - log_k 10.13 #99LOT/OCH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pb+2 +1.000SO4-2 = Pb(SO4) - log_k 2.82 #99LOT/OCH - delta_h 6.861 kJ/mol # - # Enthalpy of formation: -901.559 kJ/mol - - -+1.000Pb+2 +2.000SO4-2 = Pb(SO4)2-2 - log_k 3.47 #97MAR/SMI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pb+2 +1.000Cl- = PbCl+ - log_k 1.44 #97SVE/SHO - delta_h 4.318 kJ/mol # - # Enthalpy of formation: -161.842 kJ/mol - - -+1.000Pb+2 +2.000Cl- = PbCl2 - log_k 2 #97SVE/SHO - delta_h 7.949 kJ/mol # - # Enthalpy of formation: -325.291 kJ/mol - - -+1.000Pb+2 +3.000Cl- = PbCl3- - log_k 1.69 #97SVE/SHO - delta_h 7.813 kJ/mol # - # Enthalpy of formation: -492.507 kJ/mol - - -+1.000Pb+2 +4.000Cl- = PbCl4-2 - log_k 1.4 #97SVE/SHO - delta_h 1.323 kJ/mol # - # Enthalpy of formation: -666.077 kJ/mol - - -+1.000Mn+2 -1.000e- = Mn+3 - log_k -25.51 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 -8.000H+ -4.000e- +4.000H2O = MnO4-2 - log_k -118.4 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - delta_h 711.366 kJ/mol # - # Enthalpy of formation: -652.704 kJ/mol - - -+1.000Mn+2 -8.000H+ -5.000e- +4.000H2O = MnO4- - log_k -127.78 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - delta_h 822.66 kJ/mol # - # Enthalpy of formation: -541.41 kJ/mol - - -+1.000Mn+2 -2.000H+ +2.000H2O = Mn(OH)2 - log_k -22.2 #95CHI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pb+2 +1.000Br- = PbBr+ - log_k 1.7 #82HÖG - delta_h 4.228 kJ/mol # - # Enthalpy of formation: -116.262 kJ/mol - - -+1.000Mn+2 -4.000H+ +4.000H2O = Mn(OH)4-2 - log_k -48.3 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92EUR 11891 EN ; Nagra TR 91-18 (mai 1992, Hatches 3.0) (provient de la base 0391 MINEQL- PSY) - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000Mn+2 -3.000H+ +3.000H2O = Mn2(OH)3+ - log_k -24.9 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +1.000CO3-2 = Mn(CO3) - log_k 6.5 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +1.000NO3- = Mn(NO3)+ - log_k 0.16 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +2.000NO3- = Mn(NO3)2 - log_k 0.5 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +1.000F- = MnF+ - log_k 0.85 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +2.000F- = MnF2 - log_k 9.04 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +3.000F- = MnF3- - log_k 11.64 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pb+2 +2.000Br- = PbBr2 - log_k 1.9 #82HÖG - delta_h 10.991 kJ/mol # - # Enthalpy of formation: -230.909 kJ/mol - - -+1.000Mn+2 +4.000F- = MnF4-2 - log_k 13.4 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +6.000F- = MnF6-4 - log_k 15.5 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +1.000Br- = MnBr+ - log_k 0.13 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000Mn+2 -1.000H+ +1.000H2O = Mn2(OH)+3 - log_k -10.1 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 -2.000H+ +2.000H2(PO4)- = Mn(HPO4)2-2 - log_k -9.12 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Mn+2 +5.000F- = MnF5-3 - log_k 14.7 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pb+2 +3.000Br- = PbBr3- - log_k 2.9 #82HÖG - delta_h 10.653 kJ/mol # - # Enthalpy of formation: -352.657 kJ/mol - - -+1.000Pb+2 +1.000I- = PbI+ - log_k 1.98 #82HÖG - delta_h 3.874 kJ/mol # - # Enthalpy of formation: -51.986 kJ/mol - - -+1.000Pb+2 +3.000I- = PbI3- - log_k 3.81 #82HÖG - delta_h 3.163 kJ/mol # - # Enthalpy of formation: -166.257 kJ/mol - - -+1.000Pb+2 +4.000I- = PbI4-2 - log_k 3.75 #82HÖG - delta_h -15.561 kJ/mol # - # Enthalpy of formation: -241.761 kJ/mol - - -+1.000Pb+2 +1.000NO3- = Pb(NO3)+ - log_k 1.06 #99LOT/OCH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pb+2 +2.000NO3- = Pb(NO3)2 - log_k 1.48 #99LOT/OCH - delta_h -11.012 kJ/mol # - # Enthalpy of formation: 401.768 kJ/mol - - -+1.000Pb+2 -1.000H+ +1.000H2O = Pb(OH)+ - log_k -7.51 #99LOT/OCH - delta_h 53.92 kJ/mol # - # Enthalpy of formation: -230.99 kJ/mol - - -+1.000Pb+2 -2.000H+ +2.000H2O = Pb(OH)2 - log_k -16.95 #99LOT/OCH - delta_h 97.824 kJ/mol # - # Enthalpy of formation: -472.916 kJ/mol - - -+1.000Pb+2 -3.000H+ +3.000H2O = Pb(OH)3- - log_k -27.2 #01PER/HEF - delta_h 130.485 kJ/mol # - # Enthalpy of formation: -726.085 kJ/mol - - -+2.000Pb+2 -1.000H+ +1.000H2O = Pb2(OH)+3 - log_k -7.18 #99LOT/OCH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+4.000Pb+2 -4.000H+ +4.000H2O = Pb4(OH)4+4 - log_k -20.63 #99LOT/OCH - delta_h 82.038 kJ/mol # - # Enthalpy of formation: -1057.602 kJ/mol - - -+1.000Ag+ +1.000SO4-2 = Ag(SO4)- - log_k 1.38 # - delta_h 4.646 kJ/mol # - # Enthalpy of formation: -798.904 kJ/mol - - -+1.000Ag+ +1.000Cl- = AgCl - log_k 3.27 #91BAL/NOR - delta_h -17.099 kJ/mol # - # Enthalpy of formation: -78.389 kJ/mol - - -+1.000Ag+ +2.000Cl- = AgCl2- - log_k 5.27 #91BAL/NOR - delta_h -28.752 kJ/mol # - # Enthalpy of formation: -257.122 kJ/mol - - -+1.000Ag+ +3.000Cl- = AgCl3-2 - log_k 5.29 #91BAL/NOR - delta_h -29.163 kJ/mol # - # Enthalpy of formation: -424.613 kJ/mol - - -+1.000Ag+ +1.000Br- = AgBr - log_k 4.24 #91BAL/NOR, 68WAG - delta_h -23.129 kJ/mol # - # Enthalpy of formation: -38.749 kJ/mol - - -+1.000Ag+ +2.000Br- = AgBr2- - log_k 7.28 #91BAL/NOR, 68WAG - delta_h -45.296 kJ/mol # - # Enthalpy of formation: -182.326 kJ/mol - - -+1.000Ag+ +3.000Br- = AgBr3-2 - log_k 8.71 #91BAL/NOR, 68WAG - delta_h -66.741 kJ/mol # - # Enthalpy of formation: -325.181 kJ/mol - - -+1.000Ag+ +1.000I- = AgI - log_k 6.58 #76SMI/MAR - delta_h -36.962 kJ/mol # - # Enthalpy of formation: 12.048 kJ/mol - - -+1.000Ag+ +2.000I- = AgI2- - log_k 11.7 #76SMI/MAR - delta_h -76.578 kJ/mol # - # Enthalpy of formation: -84.348 kJ/mol - - -+1.000Ag+ +3.000I- = AgI3-2 - log_k 13.28 # - delta_h -114.911 kJ/mol # - # Enthalpy of formation: -179.461 kJ/mol - - -+1.000Ag+ +1.000HS- = Ag(HS) - log_k 14.05 #74NAU/RYZ in 91BAL/NOR - delta_h -78.826 kJ/mol # - # Enthalpy of formation: 10.664 kJ/mol - - -+1.000Ag+ +2.000HS- = Ag(HS)2- - log_k 18.45 #74NAU/RYZ in 91BAL/NOR - delta_h -105.805 kJ/mol # - # Enthalpy of formation: -32.615 kJ/mol - - -+1.000Ag+ +1.000S2O3-2 = Ag(S2O3)- - log_k 9.23 #74BEL/MAR in 82HÖG - delta_h -58.994 kJ/mol #74BEL/MAR in 82HÖG - # Enthalpy of formation: -601.724 kJ/mol - - -+1.000Ag+ +2.000S2O3-2 = Ag(S2O3)2-3 - log_k 13.64 #72POU/RIG in 82HÖG - delta_h -94.45 kJ/mol # - # Enthalpy of formation: -1285.7 kJ/mol 82WAG/EVA - - -+1.000Ag+ +1.000SO3-2 = Ag(SO3)- - log_k 5.21 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ag+ -1.000H+ +1.000H2O = Ag(OH) - log_k -12 #76BAE/MES - delta_h 47.178 kJ/mol # - # Enthalpy of formation: -132.862 kJ/mol - - -+1.000Al+3 +1.000SO4-2 = Al(SO4)+ - log_k 3.17 #01TAG/SCH - delta_h 18.87 kJ/mol # - # Enthalpy of formation: -1428.87 kJ/mol - - -+1.000Al+3 +1.000F- = AlF+2 - log_k 6.98 #01TAG/SCH - delta_h -0.346 kJ/mol # - # Enthalpy of formation: -874.096 kJ/mol - - -+1.000Al+3 +2.000F- = AlF2+ - log_k 12.5 #01TAG/SCH - delta_h 0.42 kJ/mol # - # Enthalpy of formation: -1208.68 kJ/mol - - -+1.000Al+3 +3.000F- = AlF3 - log_k 16.55 #01TAG/SCH - delta_h 0.615 kJ/mol # - # Enthalpy of formation: -1543.835 kJ/mol - - -+1.000Al+3 +4.000F- = AlF4- - log_k 18.93 #01TAG/SCH - delta_h 0.823 kJ/mol # - # Enthalpy of formation: -1878.977 kJ/mol - - -+1.000H+ +1.000CO3-2 = HCO3- - log_k 10.33 # - delta_h -14.7 kJ/mol # - # Enthalpy of formation: -689.93 kJ/mol 89COX/WAG - - -+4.000H+ +2.000e- +1.000CO3-2 -2.000H2O = CO - log_k 11.6 # - delta_h -17.39 kJ/mol # - # Enthalpy of formation: -120.96 kJ/mol 82WAG/EVA - - -+2.000H+ +1.000CO3-2 -1.000H2O = CO2 - log_k 16.68 # - delta_h -23.86 kJ/mol # - # Enthalpy of formation: -413.26 kJ/mol 89COX/WAG - - -+10.000H+ +8.000e- +1.000CO3-2 -3.000H2O = CH4 - log_k 38.19 # - delta_h -270.166 kJ/mol # - # Enthalpy of formation: -87.906 kJ/mol 01SCH/SHO - - -+1.000Ba+2 +1.000H+ +1.000CO3-2 = Ba(HCO3)+ - log_k 11.31 #86BUS/PLU - delta_h 8.56 kJ/mol #86BUS/PLU - # Enthalpy of formation: -1201.47 kJ/mol - - -+10.000H+ +8.000e- +2.000SO4-2 -5.000H2O = S2O3-2 - log_k 38.56 # - delta_h -262.756 kJ/mol # - # Enthalpy of formation: -652.286 kJ/mol 04CHI - - -+8.000H+ +6.000e- +2.000SO4-2 -4.000H2O = S2O4-2 - log_k 10.7 # - delta_h -78.14 kJ/mol # - # Enthalpy of formation: -735.5 kJ/mol 82WAG/EVA - - -+4.000H+ +2.000e- +1.000SO4-2 -2.000H2O = SO2 - log_k 5.41 # - delta_h 13.9 kJ/mol # - # Enthalpy of formation: -323.78 kJ/mol 85GOL/PAR - - -+16.000H+ +14.000e- +2.000SO4-2 -8.000H2O = S2-2 - log_k 56.85 # - delta_h -432.92 kJ/mol # - # Enthalpy of formation: 35.04 kJ/mol 04CHI - - -+24.000H+ +20.000e- +3.000SO4-2 -12.000H2O = S3-2 - log_k 94.57 # - delta_h -676 kJ/mol # - # Enthalpy of formation: 25.94 kJ/mol 74NAU/RYZ - - -+32.000H+ +26.000e- +4.000SO4-2 -16.000H2O = S4-2 - log_k 131.19 # - delta_h -912.91 kJ/mol # - # Enthalpy of formation: 23.01 kJ/mol 74NAU/RYZ - - -+40.000H+ +32.000e- +5.000SO4-2 -20.000H2O = S5-2 - log_k 167.59 # - delta_h -1148.56 kJ/mol # - # Enthalpy of formation: 21.34 kJ/mol 74NAU/RYZ - - -+12.000H+ +8.000e- +3.000SO4-2 -6.000H2O = S3O6-2 - log_k 25.96 # - delta_h -154.296 kJ/mol # - # Enthalpy of formation: -1167.336 kJ/mol 04CHI - - -+20.000H+ +14.000e- +4.000SO4-2 -10.000H2O = S4O6-2 - log_k 76.32 # - delta_h -445.178 kJ/mol # - # Enthalpy of formation: -1224.238 kJ/mol 04CHI - - -+28.000H+ +20.000e- +5.000SO4-2 -14.000H2O = S5O6-2 - log_k 97.28 # - delta_h -630.624 kJ/mol # - # Enthalpy of formation: -1175.704 kJ/mol 04CHI - - --2.000e- +2.000SO4-2 = S2O8-2 - log_k -65.38 # - delta_h 473.98 kJ/mol # - # Enthalpy of formation: -1344.7 kJ/mol 82WAG/EVA - - --1.000H+ -2.000e- +1.000SO4-2 +1.000H2O = HSO5- - log_k -60.21 # - delta_h 419.54 kJ/mol # - # Enthalpy of formation: -775.63 kJ/mol 88SHO/HEL - - -+9.000H+ +8.000e- +1.000SO4-2 -4.000H2O = HS- - log_k 33.69 # - delta_h -250.28 kJ/mol # - # Enthalpy of formation: -16.3 kJ/mol 89COX/WAG - - --2.000e- +2.000Cl- = Cl2 - log_k -47.21 # - delta_h 310.76 kJ/mol # - # Enthalpy of formation: -23.4 kJ/mol 82WAG/EVA - - -+1.000Ho+3 +2.000Cl- = HoCl2+ - log_k -0.29 #81TUR/WHI - delta_h 36.3 kJ/mol # - # Enthalpy of formation: -1004.902 kJ/mol - - --8.000H+ -8.000e- +1.000Cl- +4.000H2O = ClO4- - log_k -188.09 # - delta_h 1182.3 kJ/mol # - # Enthalpy of formation: -128.1 kJ/mol 89COX/WAG - - -+1.000Al+3 +1.000IO3- = Al(IO3)+2 - log_k 2.46 #estimation NEA87 08/2/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 +2.000IO3- = Al(IO3)2+ - log_k 4.3 #estimation NEA87 08/2/95 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Al+3 -1.000H+ +1.000H2O = Al(OH)+2 - log_k -4.95 #95POK/HEL - delta_h 49.76 kJ/mol # - # Enthalpy of formation: -774.47 kJ/mol - - -+1.000Al+3 -2.000H+ +2.000H2O = Al(OH)2+ - log_k -10.58 # - delta_h 98.264 kJ/mol # - # Enthalpy of formation: -1011.796 kJ/mol 95POK/HEL - - -+1.000Al+3 -3.000H+ +3.000H2O = Al(OH)3 - log_k -16.42 # - delta_h 144.686 kJ/mol # - # Enthalpy of formation: -1251.204 kJ/mol 95POK/HEL - - -+1.000Al+3 -4.000H+ +4.000H2O = Al(OH)4- - log_k -22.87 # - delta_h 180.881 kJ/mol # - # Enthalpy of formation: -1500.839 kJ/mol 95POK/HEL - - -+1.000Cs+ -1.000H+ +1.000H2O = Cs(OH) - log_k -15.64 # - delta_h 65.736 kJ/mol # - # Enthalpy of formation: -478.094 kJ/mol 97SHO/SAS - - -+1.000Cs+ +1.000Cl- = CsCl - log_k -0.09 # - delta_h 7.523 kJ/mol # - # Enthalpy of formation: -417.557 kJ/mol - - -+1.000Cs+ +1.000F- = CsF - log_k -0.38 # - delta_h 2.446 kJ/mol # - # Enthalpy of formation: -590.904 kJ/mol - - -+1.000Cs+ +1.000I- = CsI - log_k 1.05 # - delta_h -0.055 kJ/mol # - # Enthalpy of formation: -314.835 kJ/mol - - --2.000e- +2.000Cl- +1.000I- = ICl2- - log_k -26.8 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --2.000e- +3.000I- = I3- - log_k -18.17 # - delta_h 118.877 kJ/mol # - # Enthalpy of formation: -51.463 kJ/mol - - --8.000H+ -8.000e- +1.000I- +4.000H2O = IO4- - log_k -164.98 # - delta_h 1048.639 kJ/mol # - # Enthalpy of formation: -151.461 kJ/mol - - -+9.000H+ +8.000e- +1.000NO3- -3.000H2O = NH3 - log_k 110 #95SIL/BID - delta_h -731.81 kJ/mol # - # Enthalpy of formation: -81.17 kJ/mol 95SIL/BID - - --1.000H+ +1.000HS- = S-2 - log_k -17.1 #04CHI - delta_h 73.278 kJ/mol # - # Enthalpy of formation: 56.978 kJ/mol - - -+1.000H+ +1.000HS- = H2S - log_k 6.99 # - delta_h -22.3 kJ/mol # - # Enthalpy of formation: -38.6 kJ/mol 89COX/WAG - - -+1.000Sn+2 +1.000SO4-2 = Sn(SO4) - log_k 2.6 #81PET/MIL recalculated in 02HUM/BER - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +1.000Cl- = SnCl+ - log_k 1.7 #02HUM/BER - delta_h 7.023 kJ/mol # - # Enthalpy of formation: -168.956 kJ/mol - - -+1.000Sn+2 +2.000Cl- = SnCl2 - log_k 2.36 #02HUM/BER - delta_h 9.039 kJ/mol # - # Enthalpy of formation: -334.018 kJ/mol - - -+1.000Sn+2 +3.000Cl- = SnCl3- - log_k 2.1 #02HUM/BER - delta_h 19.587 kJ/mol # - # Enthalpy of formation: -490.549 kJ/mol - - -+1.000Sn+2 +1.000F- = SnF+ - log_k 5 #02HUM/BER - delta_h -8.152 kJ/mol # - # Enthalpy of formation: -352.402 kJ/mol - - -+1.000H+ +1.000H2(PO4)- = H3(PO4) - log_k 2.14 #92GRE/FUG - delta_h 8.48 kJ/mol #92GRE/FUG - # Enthalpy of formation: -1294.12 kJ/mol - - -+1.000H+ +1.000Pyrophos-4 = H(Pyrophos)-3 - log_k 9.4 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000H+ +1.000Pyrophos-4 = H2(Pyrophos)-2 - log_k 16.05 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000H+ +1.000Pyrophos-4 = H3(Pyrophos)- - log_k 18.3 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+4.000H+ +1.000Pyrophos-4 = H4(Pyrophos) - log_k 19.3 #92GRE/FUG - delta_h 6.684 kJ/mol # - # Enthalpy of formation: -2280.21 kJ/mol 92GRE/FUG - - --1.000H+ +1.000H4(SiO4) = H3(SiO4)- - log_k -9.84 #06BLA/PIA - delta_h 29.363 kJ/mol # - # Enthalpy of formation: -1431.831 kJ/mol - - -+1.000H+ +1.000S2O3-2 = H(S2O3)- - log_k 1.72 #04CHI - delta_h 8.253 kJ/mol # - # Enthalpy of formation: -644.033 kJ/mol - - -+2.000H+ +1.000S2O3-2 = H2(S2O3) - log_k 2.32 #04CHI - delta_h 22.917 kJ/mol # - # Enthalpy of formation: -629.369 kJ/mol - - -+1.000H+ +1.000SO3-2 = H(SO3)- - log_k 7.17 #85GOL/PAR - delta_h 3.668 kJ/mol # - # Enthalpy of formation: -627.392 kJ/mol - - -+2.000H+ +1.000SO3-2 = H2(SO3) - log_k 9.03 #85GOL/PAR - delta_h 21.453 kJ/mol # - # Enthalpy of formation: -609.607 kJ/mol - - -+1.000H+ +1.000AsO4-3 = H(AsO4)-2 - log_k 11.6 # - delta_h -18.2 kJ/mol # - # Enthalpy of formation: -906.34 kJ/mol 01LEM/FUG - - -+2.000H+ +1.000AsO4-3 = H2(AsO4)- - log_k 18.37 # - delta_h -21.42 kJ/mol # - # Enthalpy of formation: -909.56 kJ/mol 01LEM/FUG - - -+3.000H+ +1.000AsO4-3 = H3(AsO4) - log_k 20.63 # - delta_h -14.36 kJ/mol # - # Enthalpy of formation: -902.5 kJ/mol 01LEM/FUG - - -+1.000H+ +1.000SeO3-2 = H(SeO3)- - log_k 8.36 #05OLI/NOL - delta_h -5.17 kJ/mol # - # Enthalpy of formation: -512.33 kJ/mol 05OLI/NOL - - -+2.000H+ +1.000SeO3-2 = H2(SeO3) - log_k 11 #05OLI/NOL - delta_h 1.84 kJ/mol # - # Enthalpy of formation: -505.32 kJ/mol 05OLI/NOL - - -+1.000H+ +1.000SeO4-2 = H(SeO4)- - log_k 1.75 #05OLI/NOL - delta_h 20.8 kJ/mol #05OLI/NOL - # Enthalpy of formation: -582.7 kJ/mol - - -+1.000H+ +1.000HSe- = H2Se - log_k 3.85 # - delta_h 0 kJ/mol # - # Enthalpy of formation: 14.3 kJ/mol 05OLI/NOL - - --1.000H+ +1.000H2O = OH- - log_k -14 # - delta_h 55.815 kJ/mol # - # Enthalpy of formation: -230.015 kJ/mol 89COX/WAG - - -+1.000Hg+2 +2.000SeO3-2 = Hg(SeO3)2-2 - log_k 14.85 #05OLI/NOL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H+ +2.000B(OH)4- -4.000H2O = HB2O4- - log_k 9.17 #97CRO - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000H+ +3.000B(OH)4- -7.000H2O = B3O5- - log_k 20.9 #97CRO - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000H+ +4.000B(OH)4- -9.000H2O = B4O7-2 - log_k 21.9 #97CRO - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H+ +1.000B(OH)4- -1.000H2O = B(OH)3 - log_k 9.24 # - delta_h -13.514 kJ/mol # - # Enthalpy of formation: -1072.8 kJ/mol 01LEM/FUG - - -+1.000Cu+2 +1.000B(OH)4- = Cu(B(OH)4)+ - log_k 7.13 #80BAS - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cu+2 +2.000B(OH)4- = Cu(B(OH)4)2 - log_k 12.45 #80BAS - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cu+2 +3.000B(OH)4- = Cu(B(OH)4)3- - log_k 15.17 #80BAS - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +1.000B(OH)4- = Fe(B(OH)4)+2 - log_k 8.58 #80BAS - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Fe+3 +2.000B(OH)4- = Fe(B(OH)4)2+ - log_k 15.54 #80BAS - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pb+2 +1.000B(OH)4- = Pb(B(OH)4)+ - log_k 5.2 #80BAS - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pb+2 +3.000B(OH)4- = Pb(B(OH)4)3- - log_k 11.18 #80BAS - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ba+2 +1.000B(OH)4- = BaB(OH)4+ - log_k 1.49 #80BAS - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sr+2 +1.000B(OH)4- = SrB(OH)4+ - log_k 1.55 #80BAS - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H+ +1.000F- +1.000B(OH)4- -1.000H2O = BF(OH)3- - log_k 8.94 #77NOR/JEN - delta_h -39.078 kJ/mol #77NOR/JEN - # Enthalpy of formation: -1433.714 kJ/mol - - -+2.000H+ +2.000F- +1.000B(OH)4- -2.000H2O = BF2(OH)2- - log_k 16.97 #77NOR/JEN - delta_h -38.702 kJ/mol #77NOR/JEN - # Enthalpy of formation: -1482.858 kJ/mol - - -+3.000H+ +3.000F- +1.000B(OH)4- -3.000H2O = BF3(OH)- - log_k 23.01 #77NOR/JEN - delta_h -38.326 kJ/mol #77NOR/JEN - # Enthalpy of formation: -1532.002 kJ/mol - - -+4.000H+ +4.000F- +1.000B(OH)4- -4.000H2O = BF4- - log_k 29.62 #77NOR/JEN - delta_h 73.68 kJ/mol #77NOR/JEN - # Enthalpy of formation: -1616.876 kJ/mol - - -+2.000H+ +2.000SO3-2 -1.000H2O = S2O5-2 - log_k 12.85 #85GOL/PAR - delta_h 2.606 kJ/mol # - # Enthalpy of formation: -973.684 kJ/mol - - -+1.000Sn+2 -2.000e- = Sn+4 - log_k -5.07 #calculated from 34HUE/TAR, 79VAS/GLA - delta_h 39.4 kJ/mol # - # Enthalpy of formation: 30.5 kJ/mol 82WAG/EVA - - -+6.000Pb+2 -8.000H+ +8.000H2O = Pb6(OH)8+4 - log_k -42.68 #99LOT/OCH - delta_h 192.157 kJ/mol # - # Enthalpy of formation: -2088.963 kJ/mol - - -+1.000H+ +1.000MoO4-2 = HMoO4- - log_k 4.11 #68SAS/SIL, 64AVE/ANA - delta_h 58.576 kJ/mol #68ARN/SZI in 76BAE/MES - # Enthalpy of formation: -938.424 kJ/mol - - -+2.000H+ +1.000MoO4-2 = H2MoO4 - log_k 8.15 #68SAS/SIL, 64AVE/ANA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+8.000H+ +7.000MoO4-2 -4.000H2O = Mo7O24-6 - log_k 50.35 #68SAS/SIL, 64AVE/ANA - delta_h -234.304 kJ/mol #68ARN/SZI in 76BAE/MES - # Enthalpy of formation: -6069.984 kJ/mol - - -+9.000H+ +7.000MoO4-2 -4.000H2O = Mo7O23(OH)-5 - log_k 57.21 #68SAS/SIL, 64AVE/ANA - delta_h -223.426 kJ/mol #68ARN/SZI in 76BAE/MES - # Enthalpy of formation: -6059.106 kJ/mol - - -+10.000H+ +7.000MoO4-2 -4.000H2O = Mo7O22(OH)2-4 - log_k 62.71 #68SAS/SIL, 64AVE/ANA - delta_h -220.079 kJ/mol #68ARN/SZI in 76BAE/MES - # Enthalpy of formation: -6055.759 kJ/mol - - -+11.000H+ +7.000MoO4-2 -4.000H2O = Mo7O21(OH)3-3 - log_k 66.48 #68SAS/SIL, 64AVE/ANA - delta_h -222.589 kJ/mol #68ARN/SZI in 76BAE/MES - # Enthalpy of formation: -6058.269 kJ/mol - - -+34.000H+ +19.000MoO4-2 -17.000H2O = Mo19O59-4 - log_k 196.3 #68SAS/SIL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+5.000H+ +2.000MoO4-2 -2.000H2O = Mo2O5(OH)+ - log_k 19 #68SAS/SIL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+8.000H+ +3.000e- +1.000MoO4-2 -4.000H2O = Mo+3 - log_k 21.76 #68SAS/SIL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --6.000H+ +12.000Sb(OH)5 +6.000H2O = Sb12(OH)66-6 - log_k 11.89 #63LEF/MAR in 76BAE/MES - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --7.000H+ +12.000Sb(OH)5 +7.000H2O = Sb12(OH)67-7 - log_k 6.07 #63LEF/MAR in 76BAE/MES - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000Cm+3 +1.000H2O = Cm(OH)+2 - log_k -7.2 #03GUI/FAN - delta_h 79.365 kJ/mol # - # Enthalpy of formation: -821.465 kJ/mol - - --2.000H+ +1.000Cm+3 +2.000H2O = Cm(OH)2+ - log_k -15.1 #03GUI/FAN - delta_h 144.956 kJ/mol # - # Enthalpy of formation: -1041.704 kJ/mol - - --3.000H+ +1.000Cm+3 +3.000H2O = Cm(OH)3 - log_k -26.2 #03GUI/FAN - delta_h 231.675 kJ/mol # - # Enthalpy of formation: -1240.815 kJ/mol - - -+1.000CO3-2 +1.000Cm+3 = CmCO3+ - log_k 7.9 #06DUR/CER - delta_h 153.982 kJ/mol # - # Enthalpy of formation: -1136.248 kJ/mol - - -+2.000CO3-2 +1.000Cm+3 = Cm(CO3)2- - log_k 12.6 #06DUR/CER - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000CO3-2 +1.000Cm+3 = Cm(CO3)3-3 - log_k 14.6 #06DUR/CER - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H+ +1.000CO3-2 +1.000Cm+3 = CmHCO3+2 - log_k 13.43 #03GUI/FAN, same as Am - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000H4(SiO4) +1.000Cm+3 = CmSiO(OH)3+2 - log_k -2.31 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NO3- +1.000Cm+3 = CmNO3+2 - log_k 1.33 #95SIL/BID - delta_h 1.8 kJ/mol #09SKE/PAN - # Enthalpy of formation: -819.926 kJ/mol - - --2.000H+ +1.000H2(PO4)- +1.000Cm+3 = CmPO4 - log_k -7.66 #estimated by correlation with Ln(III) - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --4.000H+ +2.000H2(PO4)- +1.000Cm+3 = Cm(PO4)2-3 - log_k -19.23 #estimated by corrlation with Ln(III) - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000H2(PO4)- +1.000Cm+3 = Cm(HPO4)+ - log_k -1.7 #estimated by correlation with Ln(III) - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --2.000H+ +2.000H2(PO4)- +1.000Cm+3 = Cm(HPO4)2- - log_k -5.21 #estimated by correlation with Ln(III) - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --4.000H+ +1.000Cm+3 +4.000H2O = Cm(OH)4- - log_k -40.7 #07NEC/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000SO4-2 +1.000Cm+3 = CmSO4+ - log_k 3.3 #03GUI/FAN, same as Am - delta_h 15.64 kJ/mol # - # Enthalpy of formation: -1508.7 kJ/mol estimated by analogy with Ln - - -+2.000SO4-2 +1.000Cm+3 = Cm(SO4)2- - log_k 3.7 #03GUI/FAN, same as Am - delta_h 20.88 kJ/mol # - # Enthalpy of formation: -2412.8 kJ/mol estimated by analogy with Ln - - -+1.000F- +1.000Cm+3 = CmF+2 - log_k 3.4 #03GUI/FAN, same as Am - delta_h 25.613 kJ/mol # - # Enthalpy of formation: -924.737 kJ/mol - - -+2.000F- +1.000Cm+3 = CmF2+ - log_k 5.8 #03GUI/FAN, same as Am - delta_h 20.62 kJ/mol # - # Enthalpy of formation: -1265.08 kJ/mol - - -+3.000F- +1.000Cm+3 = CmF3 - log_k 11.18 #69AZI/LYL - delta_h -15.485 kJ/mol # - # Enthalpy of formation: -1636.535 kJ/mol - - -+1.000Cl- +1.000Cm+3 = CmCl+2 - log_k 0.24 #03GUI/FAN, same as Am - delta_h 22.512 kJ/mol # - # Enthalpy of formation: -759.568 kJ/mol - - -+2.000Cl- +1.000Cm+3 = CmCl2+ - log_k -0.74 #03GUI/FAN, same as Am - delta_h 41.165 kJ/mol # - # Enthalpy of formation: -907.995 kJ/mol - - -+1.000H2(PO4)- +1.000Cm+3 = Cm(H2PO4)+2 - log_k 2.4 #estimated by correlation with Ln(III) - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000H+ +1.000S2O4-2 = H2S2O4 - log_k 2.8 #04CHI - delta_h 20.207 kJ/mol # - # Enthalpy of formation: -733.293 kJ/mol - - -+1.000H+ +1.000S2O4-2 = HS2O4- - log_k 2.5 #04CHI - delta_h 3.834 kJ/mol # - # Enthalpy of formation: -749.666 kJ/mol - - -+3.000H+ +2.000e- +1.000AsO4-3 -1.000H2O = H(AsO3)-2 - log_k 19.8 # - delta_h -86.969 kJ/mol # - # Enthalpy of formation: -689.279 kJ/mol - - -#+4.000H+ +2.000e- +1.000AsO4-3 -1.000H2O = H2(AsO3)- -# log_k 30.81 # -# delta_h -112.48 kJ/mol # -# # Enthalpy of formation: -714.79 kJ/mol 01LEM/FUG -+1.000H+ +1.000H(AsO3)-2 = H2(AsO3)- - log_k 11.01 # - delta_h -25.511 kJ/mol # - - -#+5.000H+ +2.000e- +1.000AsO4-3 -1.000H2O = H3(AsO3) -# log_k 40.02 # -# delta_h -139.89 kJ/mol # -# # Enthalpy of formation: -742.2 kJ/mol 01LEM/FUG -+2.000H+ +1.000H(AsO3)-2 = H3(AsO3) - log_k 20.22 # - delta_h -52.921 kJ/mol # - - -+1.000Pb+2 +1.000SeO3-2 = Pb(SeO3) - log_k 5.73 #01SEB/POT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000e- +1.000TcO4- = TcO4-2 - log_k -10.8 #99RAR/RAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000HSe- = Se-2 - log_k -14.91 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --4.000H+ -6.000e- +4.000HSe- = Se4-2 - log_k 13.38 #05OLI/NOL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --2.000H+ -2.000e- +2.000HSe- = Se2-2 - log_k -4.5 #05OLI/NOL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --3.000H+ -4.000e- +3.000HSe- = Se3-2 - log_k 5.24 #05OLI/NOL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ -2.000e- +1.000Cn- +1.000HSe- = SeCn- - log_k 13.03 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Hg+2 -2.000H+ -4.000e- +2.000Cn- +2.000HSe- = Hg(SeCn)2 - log_k 48.35 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Hg+2 -3.000H+ -6.000e- +3.000Cn- +3.000HSe- = Hg(SeCn)3- - log_k 65.88 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Hg+2 -4.000H+ -8.000e- +4.000Cn- +4.000HSe- = Hg(SeCn)4-2 - log_k 81.41 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ag+ -3.000H+ -6.000e- +3.000Cn- +3.000HSe- = Ag(SeCn)3-2 - log_k 52.93 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 -1.000H+ -2.000e- +1.000Cn- +1.000HSe- = Ni(SeCn)+ - log_k 14.8 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ni+2 -2.000H+ -4.000e- +2.000Cn- +2.000HSe- = Ni(SeCn)2 - log_k 28.29 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Co+2 -1.000H+ -2.000e- +1.000Cn- +1.000HSe- = Co(SeCn)+ - log_k 14.53 #75SAT/SAH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +1.000SeO4-2 = UO2(SeO4) - log_k 2.74 #05OLI/NOL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+9.000H+ +8.000e- +1.000SeO4-2 -4.000H2O = HSe- - log_k 81.57 # - delta_h -525.52 kJ/mol # - # Enthalpy of formation: 14.3 kJ/mol 05OLI/NOL - - -+1.000Ca+2 +1.000SeO4-2 = Ca(SeO4) - log_k 2 #05OLI/NOL - delta_h 1.475 kJ/mol # - # Enthalpy of formation: -1145.025 kJ/mol - - -+1.000Ag+ +1.000SeO3-2 = Ag(SeO3)- - log_k 3.2 #Data from 68MEH and 69MEH/GUB in 05OLI/NOL corrected to I=0 by DH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --4.000H+ -4.000e- +2.000H2O = O2 - log_k -85.98 #89COX/WAG - delta_h 559.526 kJ/mol # - # Enthalpy of formation: -12.134 kJ/mol 01SCH/SHO - - --1.000H+ +1.000Rb+ +1.000H2O = RbOH - log_k -14.26 # - delta_h 64.158 kJ/mol # - # Enthalpy of formation: -472.792 kJ/mol 97SHO/SAS - - -+1.000F- +1.000Rb+ = RbF - log_k 0.94 # - delta_h 1.923 kJ/mol # - # Enthalpy of formation: -584.547 kJ/mol 97SVE/SHO - - -+1.000Cl- +1.000Rb+ = RbCl - log_k -1.01 # - delta_h 13.189 kJ/mol # - # Enthalpy of formation: -405.011 kJ/mol 97SVE/SHO - - -+1.000Br- +1.000Rb+ = RbBr - log_k -1.24 # - delta_h 13.836 kJ/mol # - # Enthalpy of formation: -358.694 kJ/mol 97SVE/SHO - - -+1.000I- +1.000Rb+ = RbI - log_k -0.84 # - delta_h 6.987 kJ/mol # - # Enthalpy of formation: -300.913 kJ/mol 97SVE/SHO - - --4.000H+ -1.000e- +1.000Pa+4 +2.000H2O = PaO2+ - log_k 4.22 #85BAR/PAR, 76BAE/MES - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000Pa+4 +1.000H2O = Pa(OH)+3 - log_k 0.84 #76BAE/MES - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --2.000H+ +1.000Pa+4 +2.000H2O = Pa(OH)2+2 - log_k -0.02 #76BAE/MES - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --3.000H+ +1.000Pa+4 +3.000H2O = Pa(OH)3+ - log_k -1.5 #76BAE/MES - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H+ +1.000PaO2+ = PaO(OH)+2 - log_k 1.25 #Original data 03TRU/LEN and 04FOU/PER - delta_h -5.7 kJ/mol #03TRU/LEN - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000PaO2+ +1.000H2O = PaO2(OH) - log_k -7 #Original data 03TRU/LEN and 04FOU/PER - delta_h 61 kJ/mol #03TRU/LEN - # Enthalpy of formation: kJ/mol - - -+2.000H+ +1.000SO4-2 +1.000PaO2+ -1.000H2O = PaO(SO4)+ - log_k 5.13 #07GIA/TRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000H+ +2.000SO4-2 +1.000PaO2+ -1.000H2O = PaO(SO4)2- - log_k 8.24 #07GIA/TRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000H+ +3.000SO4-2 +1.000PaO2+ -1.000H2O = PaO(SO4)3-3 - log_k 9.83 #07GIA/TRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --2.000H+ +1.000PaO2+ +2.000H2O = PaO2(OH)2- - log_k -16.4 #04FOU/PER - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000Zr+4 +1.000H2O = Zr(OH)+3 - log_k 0.32 #05BRO/CUR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --2.000H+ +1.000Zr+4 +2.000H2O = Zr(OH)2+2 - log_k 0.98 #05BRO/CUR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --4.000H+ +1.000Zr+4 +4.000H2O = Zr(OH)4 - log_k -2.19 #05BRO/CUR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --6.000H+ +1.000Zr+4 +6.000H2O = Zr(OH)6-2 - log_k -29 #05BRO/CUR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --15.000H+ +4.000Zr+4 +15.000H2O = Zr4(OH)15+ - log_k 12.58 #05BRO/CUR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --16.000H+ +4.000Zr+4 +16.000H2O = Zr4(OH)16 - log_k 8.39 #05BRO/CUR - delta_h 301.12 kJ/mol # - # Enthalpy of formation: -6706.16 kJ/mol 05BRO/CUR - - -+1.000NO3- +1.000Zr+4 = ZrNO3+3 - log_k 1.59 #05BRO/CUR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000NO3- +1.000Zr+4 = Zr(NO3)2+2 - log_k 2.64 #05BRO/CUR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000SO4-2 +1.000Zr+4 = ZrSO4+2 - log_k 7.04 #05BRO/CUR - delta_h 36.94 kJ/mol # - # Enthalpy of formation: -1480.9 kJ/mol 05BRO/CUR - - -+1.000F- +1.000Zr+4 = ZrF+3 - log_k 10.12 #05BRO/CUR - delta_h -17.5 kJ/mol #05BRO/CUR - # Enthalpy of formation: -961.35 kJ/mol - - -+2.000F- +1.000Zr+4 = ZrF2+2 - log_k 18.55 #05BRO/CUR - delta_h -16.8 kJ/mol #05BRO/CUR - # Enthalpy of formation: -1296 kJ/mol - - -+3.000F- +1.000Zr+4 = ZrF3+ - log_k 24.72 #05BRO/CUR - delta_h -11.2 kJ/mol #05BRO/CUR - # Enthalpy of formation: -1625.75 kJ/mol - - -+4.000F- +1.000Zr+4 = ZrF4 - log_k 30.11 #05BRO/CUR - delta_h -22 kJ/mol #05BRO/CUR - # Enthalpy of formation: -1971.9 kJ/mol - - -+5.000F- +1.000Zr+4 = ZrF5- - log_k 34.6 #05BRO/CUR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+6.000F- +1.000Zr+4 = ZrF6-2 - log_k 38.11 #05BRO/CUR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cl- +1.000Zr+4 = ZrCl+3 - log_k 1.59 #05BRO/CUR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000Cl- +1.000Zr+4 = ZrCl2+2 - log_k 2.17 #05BRO/CUR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --4.000H+ +3.000Zr+4 +4.000H2O = Zr3(OH)4+8 - log_k 0.4 #05BRO/CUR - delta_h -1.98 kJ/mol # - # Enthalpy of formation: -2970.8 kJ/mol 05BRO/CUR - - -+4.000CO3-2 +1.000Zr+4 = Zr(CO3)4-4 - log_k 42.9 #05BRO/CUR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000SO4-2 +1.000Zr+4 = Zr(SO4)2 - log_k 11.54 #05BRO/CUR - delta_h 67.38 kJ/mol # - # Enthalpy of formation: -2359.8 kJ/mol 05BRO/CUR - - -+3.000SO4-2 +1.000Zr+4 = Zr(SO4)3-2 - log_k 14.3 #05BRO/CUR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000Hf+4 +1.000H2O = Hf(OH)+3 - log_k -0.2 #01RAI/XIA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --4.000H+ +1.000Hf+4 +4.000H2O = Hf(OH)4 - log_k -11.2 #01RAI/XIA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --5.000H+ +1.000Hf+4 +5.000H2O = Hf(OH)5- - log_k -20.3 #01RAI/XIA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --6.000H+ +1.000Hf+4 +6.000H2O = Hf(OH)6-2 - log_k -32.8 #01RAI/XIA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+4.000CO3-2 +1.000Hf+4 = Hf(CO3)4-4 - log_k 42.9 #analogy with Zr - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NO3- +1.000Hf+4 = HfNO3+3 - log_k 1.85 #65DES/KHO 69HAL/SMO recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000NO3- +1.000Hf+4 = Hf(NO3)2+2 - log_k 2.49 #65DES/KHO recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000SO4-2 +1.000Hf+4 = HfSO4+2 - log_k 6.06 #65DES/KHO recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000SO4-2 +1.000Hf+4 = Hf(SO4)2 - log_k 10.11 #65DES/KHO recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000F- +1.000Hf+4 = HfF+3 - log_k 9.29 #05SAW/THA and others recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000F- +1.000Hf+4 = HfF2+2 - log_k 17.85 #05SAW/THA and others recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000F- +1.000Hf+4 = HfF3+ - log_k 25.08 #05SAW/THA and others recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+4.000F- +1.000Hf+4 = HfF4 - log_k 31.41 #05SAW/THA and others recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cl- +1.000Hf+4 = HfCl+3 - log_k 2.2 #65DES/KHO and others recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000Cl- +1.000Hf+4 = HfCl2+2 - log_k 2.05 #65DES/KHO and others recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Br- +1.000Hf+4 = HfBr+3 - log_k 0.38 #67HAL/POH recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000I- +1.000Hf+4 = HfI+3 - log_k 0.02 #67HAL/POH recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --2.000H+ -2.000e- +1.000Sb(OH)3 +2.000H2O = Sb(OH)5 - log_k -21.74 #99LOT/OCH recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000H+ +1.000Sb(OH)3 -3.000H2O = Sb+3 - log_k -0.73 #99LOT/OCH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000H+ +1.000Sb(OH)3 -2.000H2O = Sb(OH)+2 - log_k 0.74 #99LOT/OCH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H+ +1.000Sb(OH)3 -1.000H2O = Sb(OH)2+ - log_k 1.33 #77ANT/NET and others recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000Sb(OH)3 +1.000H2O = Sb(OH)4- - log_k -11.82 #52GAY/GAR recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000H+ +4.000HS- +2.000Sb(OH)3 -6.000H2O = Sb2S4-2 - log_k 43.38 #88KRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000H+ +4.000HS- +2.000Sb(OH)3 -6.000H2O = Sb2HS4- - log_k 52.9 #88KRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+4.000H+ +4.000HS- +2.000Sb(OH)3 -6.000H2O = Sb2H2S4 - log_k 57.81 #88KRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000H+ +1.000F- +1.000Sb(OH)3 -3.000H2O = SbF+2 - log_k 6.37 #70BON recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000H+ +2.000F- +1.000Sb(OH)3 -3.000H2O = SbF2+ - log_k 12.42 #70BON recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000H+ +3.000F- +1.000Sb(OH)3 -3.000H2O = SbF3 - log_k 18.2 #70BON recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000H+ +1.000Cl- +1.000Sb(OH)3 -3.000H2O = SbCl+2 - log_k 2.8 #70BON/WAU and others recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000H+ +2.000Cl- +1.000Sb(OH)3 -3.000H2O = SbCl2+ - log_k 3.27 #70BON/WAU and others recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H+ +1.000Sb(OH)5 -1.000H2O = Sb(OH)4+ - log_k -3.26 #57PIT/POU in 99LOT/OCH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000Sb(OH)5 +1.000H2O = Sb(OH)6- - log_k -2.72 #63LEF/MAR in 76BAE/MES - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --4.000H+ +12.000Sb(OH)5 +4.000H2O = Sb12(OH)64-4 - log_k 20.34 #63LEF/MAR in 76BAE/MES - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --5.000H+ +12.000Sb(OH)5 +5.000H2O = Sb12(OH)65-5 - log_k 16.72 #63LEF/MAR in 76BAE/MES - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+8.000H+ +4.000e- +1.000CrO4-2 -4.000H2O = Cr+2 - log_k 67.22 #04CHI - delta_h -421.939 kJ/mol # - # Enthalpy of formation: -157.62 kJ/mol - - -+8.000H+ +3.000e- +1.000CrO4-2 -4.000H2O = Cr+3 - log_k 73.62 # - delta_h -504.82 kJ/mol # - # Enthalpy of formation: -240.5 kJ/mol 04CHI - - -+1.000H+ +1.000CrO4-2 = HCrO4- - log_k 6.52 #87PAL/WES, 04CHI - delta_h 6.016 kJ/mol # - # Enthalpy of formation: -872.984 kJ/mol - - -+2.000H+ +1.000CrO4-2 = H2CrO4 - log_k 6.32 #76BAE/MES, 04CHI - delta_h 39.596 kJ/mol # - # Enthalpy of formation: -839.404 kJ/mol - - -+2.000H+ +2.000CrO4-2 -1.000H2O = Cr2O7-2 - log_k 14.75 #87PAL/WES, 04CHI - delta_h -3.752 kJ/mol # - # Enthalpy of formation: -1475.923 kJ/mol - - -+1.000H+ +1.000H2(PO4)- +1.000CrO4-2 -1.000H2O = HCrPO7-2 - log_k 6.37 # - delta_h -36.39 kJ/mol # - # Enthalpy of formation: -1932.16 kJ/mol 76DEL/HEP - - -+2.000H+ +1.000H2(PO4)- +1.000CrO4-2 -1.000H2O = H2CrPO7- - log_k 9.02 # - delta_h -51.49 kJ/mol # - # Enthalpy of formation: -1947.26 kJ/mol 76DEL/HWP - - -+2.000H+ +1.000Cl- +1.000CrO4-2 -1.000H2O = CrO3Cl- - log_k 8.08 # - delta_h 5.5 kJ/mol # - # Enthalpy of formation: -754.8 kJ/mol 76DEL/HEP - - --1.000H+ +1.000Cr+2 +1.000H2O = Cr(OH)+ - log_k -5.3 #83MIC/DEB, 04CHI - delta_h 30.327 kJ/mol # - # Enthalpy of formation: -413.123 kJ/mol - - -+1.000Cl- +1.000Cr+2 = CrCl+ - log_k 5.6 #91ALL/BRO - delta_h -20.2 kJ/mol #91ALL/BRO - # Enthalpy of formation: -344.9 kJ/mol - - --1.000H+ +1.000Cr+3 +1.000H2O = Cr(OH)+2 - log_k -3.57 #87RAI/SAS, 04CHI - delta_h 38.079 kJ/mol # - # Enthalpy of formation: -488.251 kJ/mol - - --2.000H+ +1.000Cr+3 +2.000H2O = Cr(OH)2+ - log_k -9.84 #87RAI/SAS, 04CHI - delta_h 98.567 kJ/mol # - # Enthalpy of formation: -713.593 kJ/mol - - --3.000H+ +1.000Cr+3 +3.000H2O = Cr(OH)3 - log_k -16.19 #87RAI/SAS, 04CHI - delta_h 154.249 kJ/mol # - # Enthalpy of formation: -943.74 kJ/mol - - --4.000H+ +1.000Cr+3 +4.000H2O = Cr(OH)4- - log_k -27.65 #87RAI/SAS, 04CHI - delta_h 203.822 kJ/mol # - # Enthalpy of formation: -1179.997 kJ/mol - - --2.000H+ +2.000Cr+3 +2.000H2O = Cr2(OH)2+4 - log_k -5 #87RAI/SAS, 04CHI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --4.000H+ +3.000Cr+3 +4.000H2O = Cr3(OH)4+5 - log_k -10.75 #87RAI/SAS, 04CHI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000H2(PO4)- +1.000Cr+3 = Cr(HPO4)+ - log_k 2.25 #76ALE/MAS - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H2(PO4)- +1.000Cr+3 = Cr(H2PO4)+2 - log_k 2.56 #66LAH/ADI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --3.000H+ +1.000H2(PO4)- +1.000Cr+3 +3.000H2O = Cr(OH)3(H2PO4)- - log_k -7.87 #98ZIE/JON - delta_h 12.2 kJ/mol #98ZIE/JON - # Enthalpy of formation: -2388.42 kJ/mol - - --4.000H+ +1.000H2(PO4)- +1.000Cr+3 +3.000H2O = Cr(OH)3(HPO4)-2 - log_k -17.92 #98ZIE/JON - delta_h 13.9 kJ/mol #98ZIE/JON - # Enthalpy of formation: -2386.7 kJ/mol - - --5.000H+ +1.000H2(PO4)- +1.000Cr+3 +3.000H2O = Cr(OH)3(PO4)-3 - log_k -30.39 #98ZIE/JON - delta_h 23.8 kJ/mol #98ZIE/JON - # Enthalpy of formation: -2376.8 kJ/mol - - --5.000H+ +2.000H2(PO4)- +1.000Cr+3 +4.000H2O = Cr(OH)4(HPO4)(H2PO4)-4 - log_k -28.76 #98ZIE/JON - delta_h 14 kJ/mol #98ZIE/JON - # Enthalpy of formation: -3975.04 kJ/mol - - -+1.000SO4-2 +1.000Cr+3 = CrSO4+ - log_k 4.61 #81TUR/WHI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Cl- +1.000Cr+3 = CrCl+2 - log_k 0.62 #64SIL/MAR - delta_h 20.92 kJ/mol #64SIL/MAR - # Enthalpy of formation: -386.66 kJ/mol - - -+2.000Cl- +1.000Cr+3 = CrCl2+ - log_k -0.71 #64SIL/MAR - delta_h 20.92 kJ/mol #64SIL/MAR - # Enthalpy of formation: -553.74 kJ/mol - - --1.000H+ +2.000Cl- +1.000Cr+3 +1.000H2O = Cr(OH)Cl2 - log_k -5.73 # - delta_h 32.72 kJ/mol # - # Enthalpy of formation: -827.77 kJ/mol 76DEL/HEP - - -+1.000Br- +1.000Cr+3 = CrBr+2 - log_k -0.62 # - delta_h 22.6 kJ/mol # - # Enthalpy of formation: -339.322 kJ/mol 76DEL/HEP - - -+1.000F- +1.000Cr+3 = CrF+2 - log_k 5.21 #81TUR/WHI - delta_h -2.51 kJ/mol #53HEP/JOL - # Enthalpy of formation: -578.36 kJ/mol - - -+2.000F- +1.000Cr+3 = CrF2+ - log_k 9.31 #81TUR/WHI - delta_h -0.418 kJ/mol #53HEP/JOL - # Enthalpy of formation: -911.618 kJ/mol - - -+3.000F- +1.000Cr+3 = CrF3 - log_k 11.91 #81TUR/WHI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+3 +2.000CO3-2 = Np(CO3)2- - log_k 12.6 #Estimated by correlation with An(III) in function of ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+3 +3.000CO3-2 = Np(CO3)3-3 - log_k 15.66 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+3 +1.000SO4-2 = Np(SO4)+ - log_k 3.86 #Estimated by correlation with An(III) in function of ionic radii - delta_h 17.886 kJ/mol # - # Enthalpy of formation: -1418.638 kJ/mol - - -+1.000Np+3 +2.000SO4-2 = Np(SO4)2- - log_k 5.56 #Estimated by correlation with An(III) in function of ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 -1.000H+ +1.000H2O = Np(OH)+3 - log_k 0.55 #03GUI/FAN - delta_h 38.192 kJ/mol # - # Enthalpy of formation: -803.66 kJ/mol - - -+1.000Np+4 -4.000H+ +4.000H2O = Np(OH)4 - log_k -8.3 #03GUI/FAN - delta_h 101.442 kJ/mol # - # Enthalpy of formation: -1597.9 kJ/mol - - -+1.000PuO2+2 -1.000H+ +1.000H4(SiO4) = PuO2(OSi(OH)3)+ - log_k -3.64 #03YUS/FED - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H+ +1.000Acetate- = HAcetate - log_k 4.76 # - delta_h 0.25 kJ/mol # - # Enthalpy of formation: -485.76 kJ/mol 82WAG/EVA - - -+1.000Ca+2 +1.000Acetate- = Ca(Acetate)+ - log_k 1.12 #95DER/DIG - delta_h 0.143 kJ/mol # - # Enthalpy of formation: -1028.867 kJ/mol - - -+1.000TcO(OH)2 +1.000H+ -1.000H2O +1.000Acetate- = TcO(OH)(Acetate) - log_k 5.55 #11RIC/GRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +1.000Acetate- = Th(Acetate)+3 - log_k 5.24 #11RIC/GRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +2.000Acetate- = Th(Acetate)2+2 - log_k 9.44 #11RIC/GRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +3.000Acetate- = Th(Acetate)3+ - log_k 12.56 #11RIC/GRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +4.000Acetate- = Th(Acetate)4 - log_k 14.38 #11RIC/GRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +5.000Acetate- = Th(Acetate)5- - log_k 15.37 #11RIC/GRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +1.000Acetate- = UO2(Acetate)+ - log_k 3.02 #11RIC/GRI - delta_h -15.885 kJ/mol # - # Enthalpy of formation: -1520.895 kJ/mol - - -+1.000UO2+2 +2.000Acetate- = UO2(Acetate)2 - log_k 5.2 #11RIC/GRI - delta_h -34.958 kJ/mol # - # Enthalpy of formation: -2025.978 kJ/mol - - -+1.000UO2+2 +3.000Acetate- = UO2(Acetate)3- - log_k 7.03 #11RIC/GRI - delta_h -65.428 kJ/mol # - # Enthalpy of formation: -2542.458 kJ/mol - - -+1.000NpO2+ +1.000Acetate- = NpO2(Acetate) - log_k 1.32 #11RIC/GRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+3 +1.000Acetate- = Pu(Acetate)+2 - log_k 2.85 #69MOS - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+3 +2.000Acetate- = Pu(Acetate)2+ - log_k 5.06 #69MOS - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000PuO2+2 +1.000Acetate- = PuO2(Acetate)+ - log_k 2.87 #11RIC/GRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000PuO2+2 +2.000Acetate- = PuO2(Acetate)2 - log_k 4.77 #11RIC/GRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000PuO2+2 +3.000Acetate- = PuO2(Acetate)3- - log_k 6.19 #11RIC/GRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Am+3 +1.000Acetate- = Am(Acetate)+2 - log_k 2.94 #11RIC/GRI - delta_h -14.092 kJ/mol # - # Enthalpy of formation: -1116.802 kJ/mol - - -+1.000Cm+3 +1.000Acetate- = Cm(Acetate)+2 - log_k 3.01 #11RIC/GRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H+ +1.000Phthalat-2 = HPhthalat- - log_k 5.34 #10RIC/SAB - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000H+ +1.000Phthalat-2 = H2Phthalat - log_k 8.32 #10RIC/SAB - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +1.000Phthalat-2 = Ca(Phthalat) - log_k 2.49 #85DAN/DER - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ca+2 +1.000H+ +1.000Phthalat-2 = Ca(HPhthalat)+ - log_k 6.42 #85DAN/DER - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+2 +2.000I- = SnI2 - log_k 2.69 #68HAI/JOH recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+4 -6.000H+ +6.000H2O = Sn(OH)6-2 - log_k -18.88 #98ODA/AMA in 99LOT/OCH recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sn+4 -5.000H+ +5.000H2O = Sn(OH)5- - log_k -8.46 #98ODA/AMA in 99 LOT/OCH recalculated - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 -1.000H+ +1.000H2O = Th(OH)+3 - log_k -2.5 #09RAN/FUG - delta_h 44.2 kJ/mol #09RAN/FUG - # Enthalpy of formation: -1010.33 kJ/mol - - -+1.000Th+4 -2.000H+ +2.000H2O = Th(OH)2+2 - log_k -6.2 #09RAN/FUG - delta_h 85.7 kJ/mol #09RAN/FUG - # Enthalpy of formation: -1254.66 kJ/mol - - -+1.000Th+4 -3.000H+ +3.000H2O = Th(OH)3+ - log_k -11 #09GRI/RIB - delta_h 125.623 kJ/mol # - # Enthalpy of formation: -1500.554 kJ/mol - - -+2.000Th+4 -2.000H+ +2.000H2O = Th2(OH)2+6 - log_k -5.9 #09RAN/FUG - delta_h 58.3 kJ/mol #09RAN/FUG - # Enthalpy of formation: -2050.76 kJ/mol - - -+4.000Th+4 -8.000H+ +8.000H2O = Th4(OH)8+8 - log_k -20.4 #09RAN/FUG - delta_h 243 kJ/mol #09RAN/FUG - # Enthalpy of formation: -5118.44 kJ/mol - - -+1.000Th+4 +1.000F- = ThF+3 - log_k 8.87 #09RAN/FUG - delta_h -0.4 kJ/mol #09RAN/FUG - # Enthalpy of formation: -1104.45 kJ/mol - - -+1.000Th+4 +2.000F- = ThF2+2 - log_k 15.63 #09RAN/FUG - delta_h -3.3 kJ/mol #09RAN/FUG - # Enthalpy of formation: -1442.7 kJ/mol - - -+1.000Th+4 +3.000F- = ThF3+ - log_k 20.67 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +4.000F- = ThF4 - log_k 25.58 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +1.000Cl- = ThCl+3 - log_k 1.7 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +1.000SO4-2 = Th(SO4)+2 - log_k 6.17 #09RAN/FUG - delta_h 20.92 kJ/mol #09RAN/FUG - # Enthalpy of formation: -1657.12 kJ/mol - - -+1.000Th+4 +2.000SO4-2 = Th(SO4)2 - log_k 9.69 #09RAN/FUG - delta_h 40.38 kJ/mol #09RAN/FUG - # Enthalpy of formation: -2547 kJ/mol - - -+1.000Th+4 +1.000NO3- = Th(NO3)+3 - log_k 1.3 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 +5.000CO3-2 = Th(CO3)5-6 - log_k 31 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+6.000Th+4 -15.000H+ +15.000H2O = Th6(OH)15+9 - log_k -36.8 #09RAN/FUG - delta_h 472.8 kJ/mol #09RAN/FUG - # Enthalpy of formation: -8426.85 kJ/mol - - -+1.000Th+4 -3.000H+ +1.000CO3-2 +3.000H2O = Th(OH)3(CO3)- - log_k -3.7 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Th+4 -4.000H+ +4.000H2O = Th(OH)4 - log_k -17.4 #09RAN/FUG - delta_h 152.688 kJ/mol # - # Enthalpy of formation: -1759.319 kJ/mol - - -+1.000UO2+2 -1.000H+ +1.000H2O = UO2(OH)+ - log_k -5.25 #03GUI/FAN - delta_h 43.458 kJ/mol # - # Enthalpy of formation: -1261.372 kJ/mol - - -+2.000UO2+2 -1.000H+ +1.000H2O = (UO2)2(OH)+3 - log_k -2.7 #92GRE/FUG - delta_h 14.354 kJ/mol # - # Enthalpy of formation: -2309.476 kJ/mol - - -+2.000UO2+2 -2.000H+ +2.000H2O = (UO2)2(OH)2+2 - log_k -5.62 #92GRE/FUG - delta_h 37.595 kJ/mol # - # Enthalpy of formation: -2572.065 kJ/mol - - -+3.000UO2+2 -5.000H+ +5.000H2O = (UO2)3(OH)5+ - log_k -15.55 #92GRE/FUG - delta_h 97.063 kJ/mol # - # Enthalpy of formation: -4389.086 kJ/mol - - -+3.000UO2+2 -7.000H+ +7.000H2O = (UO2)3(OH)7- - log_k -32.2 #92SAN/BRU - delta_h 229.868 kJ/mol # - # Enthalpy of formation: -4827.942 kJ/mol - - -+1.000UO2+2 -2.000H+ +2.000H2O = UO2(OH)2 - log_k -12.15 #03GUI/FAN - delta_h 111.16 kJ/mol # - # Enthalpy of formation: -1479.5 kJ/mol 82WAG/EVA - - -+1.000UO2+2 -3.000H+ +3.000H2O = UO2(OH)3- - log_k -20.25 #03GUI/FAN - delta_h 148.06 kJ/mol #Estimated by linear correlations - # Enthalpy of formation: -1728.43 kJ/mol - - -+1.000UO2+2 -4.000H+ +4.000H2O = UO2(OH)4-2 - log_k -32.4 #03GUI/FAN - delta_h 156.138 kJ/mol # - # Enthalpy of formation: -2006.182 kJ/mol - - -+1.000UO2+2 +1.000SO4-2 = UO2(SO4) - log_k 3.15 #03GUI/FAN - delta_h 19.5 kJ/mol #03GUI/FAN - # Enthalpy of formation: -1908.84 kJ/mol - - -+1.000UO2+2 +2.000SO4-2 = UO2(SO4)2-2 - log_k 4.14 #03GUI/FAN - delta_h 35.1 kJ/mol #03GUI/FAN - # Enthalpy of formation: -2802.58 kJ/mol - - -+1.000UO2+2 +1.000Cl- = UO2Cl+ - log_k 0.17 #92GRE/FUG - delta_h 8 kJ/mol #92GRE/FUG - # Enthalpy of formation: -1178.08 kJ/mol - - -+1.000UO2+2 +2.000Cl- = UO2Cl2 - log_k -1.1 #92GRE/FUG - delta_h 15 kJ/mol #92GRE/FUG - # Enthalpy of formation: -1338.16 kJ/mol - - -+1.000UO2+2 +1.000F- = UO2F+ - log_k 5.16 #03GUI/FAN - delta_h 1.7 kJ/mol #92GRE/FUG - # Enthalpy of formation: -1352.65 kJ/mol - - -+1.000UO2+2 +2.000F- = UO2F2 - log_k 8.83 #03GUI/FAN - delta_h 2.1 kJ/mol #92GRE/FUG - # Enthalpy of formation: -1687.6 kJ/mol - - -+1.000UO2+2 +3.000F- = UO2F3- - log_k 10.9 #03GUI/FAN - delta_h 2.35 kJ/mol #92GRE/FUG - # Enthalpy of formation: -2022.7 kJ/mol - - -+1.000UO2+2 +4.000F- = UO2F4-2 - log_k 11.84 #03GUI/FAN - delta_h 0.29 kJ/mol #92GRE/FUG - # Enthalpy of formation: -2360.11 kJ/mol - - -+1.000UO2+2 +1.000Br- = UO2Br+ - log_k 0.22 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +1.000NO3- = UO2(NO3)+ - log_k 0.3 #92GRE/FUG - delta_h 3.9 kJ/mol #08RAO/TIA - # Enthalpy of formation: -1221.95 kJ/mol - - -+1.000UO2+2 +2.000CO3-2 = UO2(CO3)2-2 - log_k 16.61 #03GUI/FAN - delta_h 18.5 kJ/mol #92GRE/FUG - # Enthalpy of formation: -2350.96 kJ/mol - - -+1.000UO2+2 +3.000CO3-2 = UO2(CO3)3-4 - log_k 21.84 #03GUI/FAN - delta_h -39.2 kJ/mol # - # Enthalpy of formation: -3083.89 kJ/mol - - -+1.000UO2+2 +1.000S2O3-2 = UO2(S2O3) - log_k 2.8 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000UO2+2 +6.000CO3-2 = (UO2)3(CO3)6-6 - log_k 54 #92GRE/FUG - delta_h -62.7 kJ/mol #92GRE/FUG - # Enthalpy of formation: -7171.08 kJ/mol - - -+1.000UO2+2 +1.000CO3-2 = UO2(CO3) - log_k 9.94 #03GUI/FAN - delta_h 5 kJ/mol #92GRE/FUG - # Enthalpy of formation: -1689.23 kJ/mol - - -+1.000UO2+2 +1.000H2(PO4)- = UO2(H2PO4)+ - log_k 3.26 #92GRE/FUG - delta_h -15.34 kJ/mol # - # Enthalpy of formation: -2336.94 kJ/mol - - -+1.000UO2+2 +2.000H2(PO4)- = UO2(H2PO4)2 - log_k 4.92 #92GRE/FUG - delta_h -51.871 kJ/mol # - # Enthalpy of formation: -6902.925 kJ/mol - - -+1.000UO2+2 -2.000H+ +1.000H2(PO4)- = UO2(PO4)- - log_k -6.33 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 -1.000H+ +1.000H2(PO4)- = UO2(HPO4) - log_k 0.03 #92GRE/FUG - delta_h 2.795 kJ/mol # - # Enthalpy of formation: -4408.507 kJ/mol - - -+1.000UO2+2 +1.000H+ +1.000H2(PO4)- = UO2(H3PO4)+2 - log_k 2.9 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +1.000H+ +2.000H2(PO4)- = UO2(H2PO4)(H3PO4)+ - log_k 5.93 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +1.000SO3-2 = UO2(SO3) - log_k 6.6 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000UO2+2 +1.000NpO2+2 +6.000CO3-2 = (UO2)2(NpO2)(CO3)6-6 - log_k 53.59 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000UO2+2 -3.000H+ +1.000CO3-2 +3.000H2O = (UO2)2(CO3)(OH)3- - log_k -0.86 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+3.000UO2+2 -3.000H+ +1.000CO3-2 +3.000H2O = (UO2)3(CO3)(OH)3+ - log_k 0.66 #92GRE/FUG - delta_h 81.159 kJ/mol # - # Enthalpy of formation: -4361.23 kJ/mol - - -+3.000UO2+2 -4.000H+ +4.000H2O = (UO2)3(OH)4+2 - log_k -11.9 #92GRE/FUG - delta_h 84.264 kJ/mol # - # Enthalpy of formation: -4251.906 kJ/mol - - -+4.000UO2+2 -7.000H+ +7.000H2O = (UO2)4(OH)7+ - log_k -21.9 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000PuO2+2 -1.000H+ +1.000H2O = PuO2(OH)+ - log_k -5.5 #01LEM/FUG - delta_h 28 kJ/mol #01LEM/FUG - # Enthalpy of formation: -1079.866 kJ/mol - - -+1.000PuO2+2 -2.000H+ +2.000H2O = PuO2(OH)2 - log_k -13.2 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000PuO2+2 -2.000H+ +2.000H2O = (PuO2)2(OH)2+2 - log_k -7.5 #01LEM/FUG - delta_h 43.583 kJ/mol # - # Enthalpy of formation: -2172.149 kJ/mol - - -+1.000PuO2+2 +1.000CO3-2 = PuO2(CO3) - log_k 9.5 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000PuO2+2 +2.000CO3-2 = PuO2(CO3)2-2 - log_k 14.7 #03GUI/FAN - delta_h -27 kJ/mol #03GUI/FAN - # Enthalpy of formation: -2199.496 kJ/mol - - -+1.000PuO2+2 +3.000CO3-2 = PuO2(CO3)3-4 - log_k 18 #03GUI/FAN - delta_h -38.6 kJ/mol #03GUI/FAN - # Enthalpy of formation: -2886.326 kJ/mol - - -+3.000PuO2+2 +6.000CO3-2 = (PuO2)3(CO3)6-6 - log_k 46.02 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000UO2+2 +1.000PuO2+2 +6.000CO3-2 = PuO2(CO3)6(UO2)2-6 - log_k 53.48 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000PuO2+2 +1.000Cl- = PuO2Cl+ - log_k 0.23 #03GUI/FAN - delta_h 4.187 kJ/mol # - # Enthalpy of formation: -984.929 kJ/mol - - -+1.000PuO2+2 +2.000Cl- = PuO2Cl2 - log_k -1.15 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000PuO2+2 +1.000F- = PuO2F+ - log_k 4.56 #01LEM/FUG - delta_h -3.653 kJ/mol # - # Enthalpy of formation: -1161.039 kJ/mol - - -+1.000PuO2+2 +2.000F- = PuO2F2 - log_k 7.25 #01LEM/FUG - delta_h 1.208 kJ/mol # - # Enthalpy of formation: -1491.528 kJ/mol - - -+1.000PuO2+2 +3.000F- = PuO2F3- - log_k 9.59 #85SAW/CHA - delta_h 2.401 kJ/mol # - # Enthalpy of formation: -1825.685 kJ/mol - - -+1.000PuO2+2 +1.000SO4-2 = PuO2(SO4) - log_k 3.38 #01LEM/FUG - delta_h 16.1 kJ/mol #01LEM/FUG - # Enthalpy of formation: -1715.276 kJ/mol - - -+1.000PuO2+2 +2.000SO4-2 = PuO2(SO4)2-2 - log_k 4.4 #01LEM/FUG - delta_h 43 kJ/mol #01LEM/FUG - # Enthalpy of formation: -2597.716 kJ/mol - - -+1.000PuO2+2 +1.000e- = PuO2+ - log_k 15.82 # - delta_h -88.091 kJ/mol #01LEM/FUG - # Enthalpy of formation: -910.127 kJ/mol - - -+1.000PuO2+ +3.000CO3-2 = PuO2(CO3)3-5 - log_k 5.03 # - delta_h -19.11 kJ/mol #01LEM/FUG - # Enthalpy of formation: -2954.927 kJ/mol - - -+1.000PuO2+ +1.000SO4-2 = PuO2(SO4)- - log_k 0.44 #In analogy to NpO2)(SO4)- - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000PuO2+ +1.000F- = PuO2F - log_k 1.2 #In analogy to NpO2)F - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000PuO2+ -1.000H+ +1.000H2(PO4)- = PuO2(HPO4)- - log_k -4.86 #NEA Guidelines in 01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 -1.000H+ +1.000H2O = Pu(OH)+3 - log_k 0.6 #99NEC, 01NEC/KIM, 03GUI/FAN - delta_h 36 kJ/mol #01LEM/FUG - # Enthalpy of formation: -789.725 kJ/mol - - -+1.000Pu+4 -2.000H+ +2.000H2O = Pu(OH)2+2 - log_k 0.6 #99NEC, 01NEC/KIM, 03GUI/FAN - delta_h 49.569 kJ/mol # - # Enthalpy of formation: -1061.986 kJ/mol - - -+1.000Pu+4 -3.000H+ +3.000H2O = Pu(OH)3+ - log_k -2.3 #99NEC, 01NEC/KIM, 03GUI/FAN - delta_h 68.543 kJ/mol # - # Enthalpy of formation: -1328.842 kJ/mol - - -+1.000Pu+4 -4.000H+ +4.000H2O = Pu(OH)4 - log_k -8.5 #03GUI/FAN - delta_h 99.049 kJ/mol # - # Enthalpy of formation: -1584.166 kJ/mol - - -+1.000Pu+4 +5.000CO3-2 = Pu(CO3)5-6 - log_k 35.65 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 +4.000CO3-2 = Pu(CO3)4-4 - log_k 37 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 +1.000SO4-2 = Pu(SO4)+2 - log_k 6.89 #01LEM/FUG - delta_h 13.753 kJ/mol # - # Enthalpy of formation: -1435.482 kJ/mol - - -+1.000Pu+4 +2.000SO4-2 = Pu(SO4)2 - log_k 11.14 #01LEM/FUG - delta_h 43.906 kJ/mol # - # Enthalpy of formation: -2314.669 kJ/mol - - -+1.000Pu+4 +1.000Cl- = PuCl+3 - log_k 1.8 #01LEM/FUG - delta_h 19.82 kJ/mol # - # Enthalpy of formation: -687.155 kJ/mol - - -+1.000Pu+4 +1.000F- = PuF+3 - log_k 8.84 #01LEM/FUG - delta_h 9.1 kJ/mol #01LEM/FUG - # Enthalpy of formation: -866.145 kJ/mol - - -+1.000Pu+4 +2.000F- = PuF2+2 - log_k 15.7 #01LEM/FUG - delta_h 11 kJ/mol #01LEM/FUG - # Enthalpy of formation: -1199.595 kJ/mol - - -+1.000Pu+4 +1.000I- = PuI+3 - log_k 1.62 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 +1.000NO3- = Pu(NO3)+3 - log_k 1.95 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 +1.000Br- = PuBr+3 - log_k 1.6 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 +3.000F- = PuF3+ - log_k 20.11 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+4 +1.000e- = Pu+3 - log_k 17.69 # - delta_h -51.895 kJ/mol # - # Enthalpy of formation: -591.79 kJ/mol 01LEM/FUG - - -+1.000Pu+3 -1.000H+ +1.000H2O = Pu(OH)+2 - log_k -6.9 #01LEM/FUG - delta_h 78.274 kJ/mol # - # Enthalpy of formation: -799.346 kJ/mol - - -+1.000Pu+3 -2.000H+ +2.000H2O = Pu(OH)2+ - log_k -15.9 #80ALL/KIP - delta_h 150.342 kJ/mol # - # Enthalpy of formation: -1013.108 kJ/mol - - -+1.000Pu+3 -3.000H+ +3.000H2O = Pu(OH)3 - log_k -25.3 #80ALL/KIP - delta_h 227.54 kJ/mol # - # Enthalpy of formation: -1221.74 kJ/mol - - -+1.000Pu+3 +1.000CO3-2 = Pu(CO3)+ - log_k 7.64 #Estimated by correlation with An(III) in function of ionic radii - delta_h 152.754 kJ/mol # - # Enthalpy of formation: -1114.266 kJ/mol - - -+1.000Pu+3 +2.000CO3-2 = Pu(CO3)2- - log_k 12.54 #Estimated by correlation with An(III) in function of ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+3 +3.000CO3-2 = Pu(CO3)3-3 - log_k 16.4 #Estimated by correlation with An(III) in function of ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+3 +1.000SO4-2 = Pu(SO4)+ - log_k 3.91 #01LEM/FUG - delta_h 17.24 kJ/mol #01LEM/FUG - # Enthalpy of formation: -1483.89 kJ/mol - - -+1.000Pu+3 +2.000SO4-2 = Pu(SO4)2- - log_k 5.7 #01LEM/FUG - delta_h 11.88 kJ/mol #01LEM/FUG - # Enthalpy of formation: -2398.59 kJ/mol - - -+1.000Pu+3 +1.000I- = PuI+2 - log_k 1.1 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+3 -1.000H+ +1.000H2(PO4)- = Pu(HPO4)+ - log_k -1.82 #Estimated by correlation with An(III) in function of ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+3 -2.000H+ +2.000H2(PO4)- = Pu(HPO4)2- - log_k -5.46 #Estimated by correlation with An(III) in function of ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pu+3 +1.000NO3- = Pu(NO3)+2 - log_k 1.33 #95SIL/BID - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000U+4 +1.000e- = U+3 - log_k -9.35 #92GRE/FUG - delta_h 102.1 kJ/mol #92GRE/FUG - # Enthalpy of formation: -489.1 kJ/mol - - -+1.000UO2+2 +4.000H+ +2.000e- -2.000H2O = U+4 - log_k 9.04 #92GRE/FUG - delta_h -143.86 kJ/mol # - # Enthalpy of formation: -591.2 kJ/mol 92GRE/FUG - - -+1.000U+4 -1.000H+ +1.000H2O = U(OH)+3 - log_k -0.54 #92GRE/FUG - delta_h 46.91 kJ/mol # - # Enthalpy of formation: -830.12 kJ/mol - - -+1.000U+4 -4.000H+ +4.000H2O = U(OH)4 - log_k -10 #03GUI/FAN - delta_h 109.881 kJ/mol # - # Enthalpy of formation: -1624.639 kJ/mol - - -+1.000U+4 +5.000CO3-2 = U(CO3)5-6 - log_k 34 #03GUI/FAN - delta_h -20 kJ/mol #03GUI/FAN - # Enthalpy of formation: -3987.35 kJ/mol - - -+1.000U+4 +1.000SO4-2 = U(SO4)+2 - log_k 6.58 #92GRE/FUG - delta_h 8 kJ/mol #92GRE/FUG - # Enthalpy of formation: -1492.54 kJ/mol - - -+1.000U+4 +2.000SO4-2 = U(SO4)2 - log_k 10.51 #92GRE/FUG - delta_h 32.7 kJ/mol #92GRE/FUG - # Enthalpy of formation: -2377.18 kJ/mol - - -+1.000U+4 +1.000Cl- = UCl+3 - log_k 1.72 #92GRE/FUG - delta_h -19 kJ/mol #92GRE/FUG - # Enthalpy of formation: -777.28 kJ/mol - - -+1.000U+4 +1.000Br- = UBr+3 - log_k 1.46 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000U+4 +1.000F- = UF+3 - log_k 9.42 #03GUI/FAN - delta_h -5.6 kJ/mol #92GRE/FUG - # Enthalpy of formation: -932.15 kJ/mol - - -+1.000U+4 +2.000F- = UF2+2 - log_k 16.56 #03GUI/FAN - delta_h -3.5 kJ/mol #92GRE/FUG - # Enthalpy of formation: -1265.4 kJ/mol - - -+1.000U+4 +3.000F- = UF3+ - log_k 21.89 #03GUI/FAN - delta_h 0.5 kJ/mol #92GRE/FUG - # Enthalpy of formation: -1596.75 kJ/mol - - -+1.000U+4 +4.000F- = UF4 - log_k 26.34 #03GUI/FAN - delta_h -8.429 kJ/mol # - # Enthalpy of formation: -1941.029 kJ/mol - - -+1.000U+4 +5.000F- = UF5- - log_k 27.73 #03GUI/FAN - delta_h -11.624 kJ/mol # - # Enthalpy of formation: -2279.574 kJ/mol - - -+1.000U+4 +6.000F- = UF6-2 - log_k 29.8 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000U+4 +1.000I- = UI+3 - log_k 1.25 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000U+4 +1.000NO3- = U(NO3)+3 - log_k 1.47 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000U+4 +2.000NO3- = U(NO3)2+2 - log_k 2.3 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000U+4 +4.000CO3-2 = U(CO3)4-4 - log_k 35.12 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000UO2+2 +1.000e- = UO2+ - log_k 1.48 # - delta_h -6.127 kJ/mol # - # Enthalpy of formation: -1025.127 kJ/mol - - -+1.000UO2+ +3.000CO3-2 = UO2(CO3)3-5 - log_k 6.95 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 +1.000e- = Np+3 - log_k 3.7 # - delta_h 28.838 kJ/mol # - # Enthalpy of formation: -527.184 kJ/mol 01LEM/FUG - - -+1.000Np+3 -1.000H+ +1.000H2O = Np(OH)+2 - log_k -6.8 #01LEM/FUG - delta_h 77.089 kJ/mol # - # Enthalpy of formation: -735.925 kJ/mol - - -+1.000Np+3 -2.000H+ +2.000H2O = Np(OH)2+ - log_k -17 #80ALL/KIP - delta_h 155.529 kJ/mol # - # Enthalpy of formation: -943.315 kJ/mol - - -+1.000Np+3 -3.000H+ +3.000H2O = Np(OH)3 - log_k -27 #80ALL/KIP - delta_h 235.824 kJ/mol # - # Enthalpy of formation: -1148.85 kJ/mol - - -+1.000Np+3 +1.000CO3-2 = Np(CO3)+ - log_k 7.67 #Estimated by correlation with An(III) in function of ionic radii - delta_h 156.37 kJ/mol # - # Enthalpy of formation: -1046.044 kJ/mol - - -+1.000Np+4 +4.000CO3-2 = Np(CO3)4-4 - log_k 36.68 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 +5.000CO3-2 = Np(CO3)5-6 - log_k 35.61 #01LEM/FUG - delta_h -1.612 kJ/mol # - # Enthalpy of formation: -3933.784 kJ/mol - - -+1.000Np+4 +1.000SO4-2 = Np(SO4)+2 - log_k 6.85 #01LEM/FUG - delta_h 29.84 kJ/mol #01LEM/FUG - # Enthalpy of formation: -1435.522 kJ/mol 01LEM/FUG - - -+1.000Np+4 +2.000SO4-2 = Np(SO4)2 - log_k 11.05 #01LEM/FUG - delta_h 55.38 kJ/mol #01LEM/FUG - # Enthalpy of formation: -2319.322 kJ/mol - - -+1.000Np+4 +1.000Cl- = NpCl+3 - log_k 1.5 #01LEM/FUG - delta_h 24.173 kJ/mol # - # Enthalpy of formation: -698.929 kJ/mol - - -+1.000Np+4 +1.000F- = NpF+3 - log_k 8.96 #01LEM/FUG - delta_h 1.5 kJ/mol #01LEM/FUG - # Enthalpy of formation: -889.872 kJ/mol - - -+1.000Np+4 +2.000F- = NpF2+2 - log_k 15.7 #01LEM/FUG - delta_h 15.93 kJ/mol # - # Enthalpy of formation: -1210.792 kJ/mol - - -+1.000Np+4 +3.000F- = NpF3+ - log_k 20.05 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 +4.000F- = NpF4 - log_k 25.95 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 +1.000I- = NpI+3 - log_k 1.5 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 +1.000NO3- = Np(NO3)+3 - log_k 1.9 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Np+4 -3.000H+ +1.000CO3-2 +3.000H2O = Np(CO3)(OH)3- - log_k 3.82 #93ERI/NDA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+2 +1.000e- = NpO2+ - log_k 19.59 # - delta_h -117.448 kJ/mol # - # Enthalpy of formation: -978.181 kJ/mol 01LEM/FUG - - -+1.000NpO2+ -1.000H+ +1.000H2O = NpO2(OH) - log_k -11.3 #01LEM/FUG - delta_h 64.785 kJ/mol # - # Enthalpy of formation: -1199.226 kJ/mol - - -+1.000NpO2+ +1.000CO3-2 = NpO2(CO3)- - log_k 4.96 #01LEM/FUG - delta_h 59.904 kJ/mol # - # Enthalpy of formation: -1593.507 kJ/mol - - -+1.000NpO2+ +2.000CO3-2 = NpO2(CO3)2-3 - log_k 6.53 #01LEM/FUG - delta_h 39.027 kJ/mol # - # Enthalpy of formation: -2289.614 kJ/mol - - -+1.000NpO2+ +3.000CO3-2 = NpO2(CO3)3-5 - log_k 5.5 # - delta_h -13.249 kJ/mol # - # Enthalpy of formation: -3017.12 kJ/mol 01LEM/FUG - - -+1.000NpO2+ +1.000SO4-2 = NpO2(SO4)- - log_k 0.44 #01LEM/FUG - delta_h 23.2 kJ/mol #01LEM/FUG - # Enthalpy of formation: -1864.321 kJ/mol - - -+1.000NpO2+ +1.000Cl- = NpO2Cl - log_k -0.93 #94NEC/KIM - delta_h 25.972 kJ/mol # - # Enthalpy of formation: -1119.289 kJ/mol - - -+1.000NpO2+ +1.000F- = NpO2F - log_k 1.2 #01LEM/FUG - delta_h 40.768 kJ/mol # - # Enthalpy of formation: -1272.763 kJ/mol - - -+1.000NpO2+2 +3.000CO3-2 = NpO2(CO3)3-4 - log_k 19.37 # - delta_h -41.9 kJ/mol # - # Enthalpy of formation: -2928.323 kJ/mol 01LEM/FUG - - -+1.000NpO2+2 -1.000H+ +1.000H2O = NpO2(OH)+ - log_k -5.1 #01LEM/FUG - delta_h 42.957 kJ/mol # - # Enthalpy of formation: -1103.606 kJ/mol - - -+1.000NpO2+2 -2.000H+ +2.000H2O = NpO2(OH)2 - log_k -12.21 #Estimated by correlation with An(VI) in funciton of ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+2 +1.000CO3-2 = NpO2(CO3) - log_k 9.32 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+2 +2.000CO3-2 = NpO2(CO3)2-2 - log_k 16.52 #01LEM/FUG - delta_h 13.776 kJ/mol # - # Enthalpy of formation: -2197.417 kJ/mol - - -+3.000NpO2+2 +6.000CO3-2 = (NpO2)3(CO3)6-6 - log_k 49.84 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+2 +1.000SO4-2 = NpO2(SO4) - log_k 3.28 #01LEM/FUG - delta_h 16.7 kJ/mol #01LEM/FUG - # Enthalpy of formation: -1753.373 kJ/mol - - -+1.000NpO2+2 +2.000SO4-2 = NpO2(SO4)2-2 - log_k 4.7 #01LEM/FUG - delta_h 26 kJ/mol #01LEM/FUG - # Enthalpy of formation: -2653.413 kJ/mol - - -+1.000NpO2+2 +1.000Cl- = NpO2Cl+ - log_k 0.4 #01LEM/FUG - delta_h 8.387 kJ/mol # - # Enthalpy of formation: -1019.426 kJ/mol - - -+1.000NpO2+2 +1.000F- = NpO2F+ - log_k 4.57 #01LEM/FUG - delta_h 1.4 kJ/mol # - # Enthalpy of formation: -1194.683 kJ/mol - - -+1.000NpO2+2 +2.000F- = NpO2F2 - log_k 7.6 #01LEM/FUG - delta_h 4.321 kJ/mol # - # Enthalpy of formation: -1527.112 kJ/mol - - -+1.000NpO2+2 -1.000H+ +1.000H2(PO4)- = NpO2(HPO4) - log_k -1.01 #01LEM/FUG - delta_h 92.209 kJ/mol # - # Enthalpy of formation: -2071.124 kJ/mol - - -+1.000NpO2+2 +1.000NO3- = NpO2(NO3)+ - log_k 0.3 #logK value in analogy to UO2NO3+ - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000NpO2+2 -2.000H+ +1.000CO3-2 +2.000H2O = NpO2(CO3)(OH)2-2 - log_k -7.69 #99CHO/BRO - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000TcO(OH)2 +1.000H+ -1.000H2O = TcO(OH)+ - log_k 2.79 # - delta_h 4.02 kJ/mol #97NGU/LAN - # Enthalpy of formation: -459.47 kJ/mol - - -+1.000TcO(OH)2 -1.000H+ +1.000H2O = (TcO)(OH)3- - log_k -10.8 # - delta_h 39.03 kJ/mol #97NGU/LAN - # Enthalpy of formation: -996.12 kJ/mol - - -+1.000Eu+3 -1.000H+ +1.000H2O = Eu(OH)+2 - log_k -7.8 #95SPA/BRU - delta_h 79.824 kJ/mol # - # Enthalpy of formation: -811.337 kJ/mol - - -+1.000Eu+3 -2.000H+ +2.000H2O = Eu(OH)2+ - log_k -15.7 #07NEC/ALT - delta_h 144.521 kJ/mol # - # Enthalpy of formation: -1032.471 kJ/mol - - -+1.000Eu+3 -3.000H+ +3.000H2O = Eu(OH)3 - log_k -26.2 #07NEC/ALT - delta_h 226.86 kJ/mol # - # Enthalpy of formation: -1235.961 kJ/mol - - -+1.000Eu+3 +1.000CO3-2 = Eu(CO3)+ - log_k 7.9 #95SPA/BRU - delta_h 167.549 kJ/mol # - # Enthalpy of formation: -1113.013 kJ/mol - - -+1.000Eu+3 +1.000F- = EuF+2 - log_k 4.33 #07LUO/BYR - delta_h 24.956 kJ/mol # - # Enthalpy of formation: -915.725 kJ/mol - - -+1.000Eu+3 +2.000F- = EuF2+ - log_k 6.55 #Original data from 99SCH/BYR and 04LUO/BYR - delta_h 21.483 kJ/mol # - # Enthalpy of formation: -1254.548 kJ/mol - - -+1.000Eu+3 +1.000Br- = EuBr+2 - log_k 0.25 #95SPA/BRU - delta_h 16.223 kJ/mol # - # Enthalpy of formation: -710.518 kJ/mol - - -+1.000Eu+3 +2.000Br- = EuBr2+ - log_k -0.09 #95SPA/BRU - delta_h 26.498 kJ/mol # - # Enthalpy of formation: -821.653 kJ/mol - - -+1.000Eu+3 +2.000CO3-2 = Eu(CO3)2- - log_k 12.9 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Eu+3 +1.000H+ +1.000CO3-2 = Eu(HCO3)+2 - log_k 12.43 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Eu+3 -2.000H+ +1.000H2(PO4)- = Eu(PO4) - log_k -7.36 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Eu+3 -4.000H+ +2.000H2(PO4)- = Eu(PO4)2-3 - log_k -18.46 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Eu+3 +1.000SO4-2 = Eu(SO4)+ - log_k 3.5 #95SPA/BRU - delta_h 15.577 kJ/mol # - # Enthalpy of formation: -1499.094 kJ/mol - - -+1.000Eu+3 +2.000SO4-2 = Eu(SO4)2- - log_k 5.2 #95SPA/BRU - delta_h 27.787 kJ/mol # - # Enthalpy of formation: -2396.224 kJ/mol - - -+1.000Eu+3 -1.000H+ +1.000H2(PO4)- = Eu(HPO4)+ - log_k -1.51 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Eu+3 -2.000H+ +2.000H2(PO4)- = Eu(HPO4)2- - log_k -4.82 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Eu+3 +1.000H2(PO4)- = Eu(H2PO4)+2 - log_k 2.4 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Eu+3 +1.000Cl- = EuCl+2 - log_k 0.76 #Original data 01LUO/BYR and 04LUO/BYR - delta_h 21.929 kJ/mol # - # Enthalpy of formation: -750.482 kJ/mol - - -+1.000Eu+3 +2.000Cl- = EuCl2+ - log_k -0.05 #95SPA/BRU - delta_h 35.334 kJ/mol # - # Enthalpy of formation: -904.158 kJ/mol - - -+1.000Sm+3 -1.000H+ +1.000H2O = Sm(OH)+2 - log_k -7.9 #95SPA/BRU - delta_h 81.304 kJ/mol # - # Enthalpy of formation: -895.725 kJ/mol - - -+1.000Sm+3 +1.000Cl- = SmCl+2 - log_k 0.72 #Original data 01LUO/BYR and 07LUO/BYR - delta_h 22.277 kJ/mol # - # Enthalpy of formation: -836.002 kJ/mol - - -+1.000Sm+3 +1.000F- = SmF+2 - log_k 4.21 #07LUO/BYR - delta_h 24.18 kJ/mol # - # Enthalpy of formation: -1002.369 kJ/mol - - -+1.000Sm+3 +1.000Br- = SmBr+2 - log_k 0.23 #96FAL/REA - delta_h 17.023 kJ/mol # - # Enthalpy of formation: -795.586 kJ/mol - - -+1.000Sm+3 +1.000H+ +1.000CO3-2 = Sm(HCO3)+2 - log_k 12.43 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sm+3 +1.000NO3- = Sm(NO3)+2 - log_k 0.9 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sm+3 -2.000H+ +1.000H2(PO4)- = Sm(PO4) - log_k -7.46 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sm+3 -4.000H+ +2.000H2(PO4)- = Sm(PO4)2-3 - log_k -18.72 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sm+3 -1.000H+ +1.000H2(PO4)- = Sm(HPO4)+ - log_k -1.61 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sm+3 -2.000H+ +2.000H2(PO4)- = Sm(HPO4)2- - log_k -5.02 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sm+3 +1.000H2(PO4)- = Sm(H2PO4)+2 - log_k 2.35 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sm+3 -4.000H+ +4.000H2O = Sm(OH)4- - log_k -40.7 #07NEC/ALT - delta_h 298.594 kJ/mol # - # Enthalpy of formation: -1535.925 kJ/mol - - -+1.000Sm+3 -2.000H+ +2.000H2O = Sm(OH)2+ - log_k -15.7 #07NEC/ALT - delta_h 145.698 kJ/mol # - # Enthalpy of formation: -1117.161 kJ/mol - - -+1.000Sm+3 -3.000H+ +3.000H2O = Sm(OH)3 - log_k -26.2 #07NEC/ALT - delta_h 228.395 kJ/mol # - # Enthalpy of formation: -1320.294 kJ/mol - - -+1.000Sm+3 +1.000CO3-2 = Sm(CO3)+ - log_k 7.8 #95SPA/BRU - delta_h 163.392 kJ/mol # - # Enthalpy of formation: -1203.037 kJ/mol - - -+1.000Sm+3 +2.000CO3-2 = Sm(CO3)2- - log_k 12.8 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Sm+3 +1.000SO4-2 = Sm(SO4)+ - log_k 3.5 #95SPA/BRU - delta_h 16.575 kJ/mol # - # Enthalpy of formation: -1583.964 kJ/mol - - -+1.000Sm+3 +2.000SO4-2 = Sm(SO4)2- - log_k 5.2 #95SPA/BRU - delta_h 24.91 kJ/mol # - # Enthalpy of formation: -2484.969 kJ/mol - - --1.000H+ +1.000Pd+2 +1.000H2O = Pd(OH)+ - log_k -1.86 #70NAB/KAL - delta_h 11.9 kJ/mol # - # Enthalpy of formation: -84.047 kJ/mol - - --2.000H+ +1.000Pd+2 +2.000H2O = Pd(OH)2 - log_k -3.79 #70NAB/KAL - delta_h 15.293 kJ/mol # - # Enthalpy of formation: -366.483 kJ/mol - - --3.000H+ +1.000Pd+2 +3.000H2O = Pd(OH)3- - log_k -15.93 #70NAB/KAL - delta_h 54.863 kJ/mol # - # Enthalpy of formation: -612.744 kJ/mol - - --4.000H+ +1.000Pd+2 +4.000H2O = Pd(OH)4-2 - log_k -29.36 #70NAB/KAL - delta_h 118.563 kJ/mol # - # Enthalpy of formation: -834.874 kJ/mol - - -+1.000Pd+2 +1.000SO4-2 = Pd(SO4) - log_k 2.91 #87BRO/WAN - delta_h 4.596 kJ/mol # - # Enthalpy of formation: -714.86 kJ/mol - - -+1.000Pd+2 +2.000SO4-2 = Pd(SO4)2-2 - log_k 4.17 #82HOG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pd+2 +1.000Cl- = PdCl+ - log_k 5.1 #99LOT/OCH - delta_h -24.542 kJ/mol # - # Enthalpy of formation: -1.739 kJ/mol - - -+1.000Pd+2 +2.000Cl- = PdCl2 - log_k 8.3 #99LOT/OCH - delta_h -47.297 kJ/mol # - # Enthalpy of formation: -191.573 kJ/mol - - -+1.000Pd+2 +3.000Cl- = PdCl3- - log_k 10.9 #99LOT/OCH - delta_h -77.344 kJ/mol # - # Enthalpy of formation: -388.7 kJ/mol - - -+1.000Pd+2 +4.000Cl- = PdCl4-2 - log_k 11.7 #99LOT/OCH - delta_h -112.469 kJ/mol # - # Enthalpy of formation: -590.906 kJ/mol - - -+1.000Pd+2 +1.000Br- = PdBr+ - log_k 5.77 #72ELD - delta_h -30.14 kJ/mol # - # Enthalpy of formation: 38.344 kJ/mol - - -+1.000Pd+2 +1.000NH3 = Pd(NH3)+2 - log_k 9.6 #68RAS/JOR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pd+2 +2.000NH3 = Pd(NH3)2+2 - log_k 18.5 #68RAS/JOR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Pd+2 +1.000I- = PdI+ - log_k 10.4 #89BAE/McK - delta_h -58.201 kJ/mol # - # Enthalpy of formation: 74.902 kJ/mol - - -+1.000Pd+2 +2.000I- = PdI2 - log_k 14.5 #97BOU - delta_h -83.42 kJ/mol # - # Enthalpy of formation: -7.096 kJ/mol - - -+1.000Pd+2 +3.000I- = PdI3- - log_k 18.6 #97BOU - delta_h -121.75 kJ/mol # - # Enthalpy of formation: -102.207 kJ/mol - - -+1.000Pd+2 +4.000I- = PdI4-2 - log_k 24.64 # - delta_h -190.052 kJ/mol # - # Enthalpy of formation: -227.288 kJ/mol - - --1.000H+ +1.000Am+3 +1.000H2O = Am(OH)+2 - log_k -7.2 #03GUI/FAN, 88STA/KIM, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE - delta_h 78.411 kJ/mol # - # Enthalpy of formation: -824.119 kJ/mol - - --2.000H+ +1.000Am+3 +2.000H2O = Am(OH)2+ - log_k -15.1 #03GUI/FAN, 88STA/KIM, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE - delta_h 143.704 kJ/mol # - # Enthalpy of formation: -1044.656 kJ/mol - - --3.000H+ +1.000Am+3 +3.000H2O = Am(OH)3 - log_k -26.2 #03GUI/FAN, 88STA/KIM, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE - delta_h 230.125 kJ/mol # - # Enthalpy of formation: -1244.065 kJ/mol - - -+1.000Am+3 +1.000CO3-2 = Am(CO3)+ - log_k 7.9 #recalculated from 03GUI/FAN - delta_h 158.156 kJ/mol # - # Enthalpy of formation: -1133.774 kJ/mol - - -+1.000Am+3 +2.000CO3-2 = Am(CO3)2- - log_k 12.6 #recalculated from 03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Am+3 +3.000CO3-2 = Am(CO3)3-3 - log_k 14.6 #Recalculated from 03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Am+3 +1.000F- = AmF+2 - log_k 3.4 #03GUI/FAN - delta_h 27.134 kJ/mol # - # Enthalpy of formation: -924.916 kJ/mol - - -+1.000Am+3 +2.000F- = AmF2+ - log_k 5.8 #95SIL/BID - delta_h 22.32 kJ/mol # - # Enthalpy of formation: -1265.08 kJ/mol - - -+1.000Am+3 +1.000Cl- = AmCl+2 - log_k 0.24 #97KÖN/FAN - delta_h 25.106 kJ/mol # - # Enthalpy of formation: -758.674 kJ/mol - - -+1.000Am+3 +2.000Cl- = AmCl2+ - log_k -0.74 #97KÖN/FAN - delta_h 40.568 kJ/mol # - # Enthalpy of formation: -910.292 kJ/mol - - -+1.000Am+3 +1.000SO4-2 = Am(SO4)+ - log_k 3.3 #03GUI/FAN - delta_h 15.493 kJ/mol # - # Enthalpy of formation: -1510.547 kJ/mol - - -+1.000Am+3 +2.000SO4-2 = Am(SO4)2- - log_k 3.7 #03GUI/FAN - delta_h 20.927 kJ/mol # - # Enthalpy of formation: -2414.453 kJ/mol - - -+1.000Am+3 +1.000NO3- = Am(NO3)+2 - log_k 1.33 #95SIL/BID - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Am+3 +1.000H2(PO4)- = Am(H2PO4)+2 - log_k 3 #95SIL/BID - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Am+3 -1.000e- = Am+4 - log_k -44.21 # - delta_h 210.7 kJ/mol # - # Enthalpy of formation: -406 kJ/mol 95SIL/BID - - --4.000H+ +1.000Am+3 -3.000e- +2.000H2O = AmO2+2 - log_k -85.35 # - delta_h 537.6 kJ/mol #95SIL/BID - # Enthalpy of formation: -650.76 kJ/mol - - --4.000H+ +1.000Am+3 -2.000e- +2.000H2O = AmO2+ - log_k -58.37 # - delta_h 384.1 kJ/mol #95SIL/BID - # Enthalpy of formation: -804.26 kJ/mol - - --1.000H+ +1.000Ra+2 +1.000H2O = Ra(OH)+ - log_k -13.49 # - delta_h 60.417 kJ/mol #85LAN/RIE - # Enthalpy of formation: -753.438 kJ/mol - - --2.000H+ +1.000Ra+2 +2.000H2O = Ra(OH)2 - log_k -28.07 # - delta_h 112.197 kJ/mol # - # Enthalpy of formation: -987.488 kJ/mol - - -+1.000Ra+2 +1.000CO3-2 = Ra(CO3) - log_k 2.5 #99SCH - delta_h 4.496 kJ/mol # - # Enthalpy of formation: -1198.76 kJ/mol - - -+1.000Ra+2 +1.000SO4-2 = Ra(SO4) - log_k 2.76 # - delta_h 5.481 kJ/mol # - # Enthalpy of formation: -1431.884 kJ/mol - - -+1.000Ra+2 +1.000Cl- = RaCl+ - log_k -0.1 #85LAN/RIE - delta_h 2.479 kJ/mol # - # Enthalpy of formation: -692.626 kJ/mol - - -+1.000Ra+2 +1.000F- = RaF+ - log_k 0.48 #87BRO/WAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+2.000H+ +2.000e- +1.000SeO4-2 -1.000H2O = SeO3-2 - log_k 28.04 #05OLI/NOL - delta_h -189.49 kJ/mol # - # Enthalpy of formation: -507.16 kJ/mol 05OLI/NOL - - -+1.000Ho+3 +1.000Cl- = HoCl+2 - log_k 0.74 #Original data from 01LUO/BYR and 04LUO/BYR - delta_h 22.013 kJ/mol # - # Enthalpy of formation: -852.109 kJ/mol - - -+1.000Ho+3 +1.000F- = HoF+2 - log_k 4.33 #07LUO/BYR - delta_h 25.761 kJ/mol # - # Enthalpy of formation: -1016.631 kJ/mol - - -+1.000Ho+3 +1.000CO3-2 = Ho(CO3)+ - log_k 8 #95SPA/BRU - delta_h 168.562 kJ/mol # - # Enthalpy of formation: -1213.71 kJ/mol - - -+1.000Ho+3 +2.000CO3-2 = Ho(CO3)2- - log_k 13.3 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000H+ +1.000Ho+3 +1.000CO3-2 = Ho(HCO3)+2 - log_k 12.5 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ho+3 +1.000SO4-2 = Ho(SO4)+ - log_k 3.4 #95SPA/BRU - delta_h 15.387 kJ/mol # - # Enthalpy of formation: -1600.995 kJ/mol - - -+1.000Ho+3 +2.000SO4-2 = Ho(SO4)2- - log_k 4.9 #95SPA/BRU - delta_h 23.67 kJ/mol # - # Enthalpy of formation: -2502.052 kJ/mol - - -+1.000Ho+3 +1.000NO3- = Ho(NO3)+2 - log_k 0.5 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --2.000H+ +1.000Ho+3 +1.000H2(PO4)- = Ho(PO4) - log_k -6.96 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --4.000H+ +1.000Ho+3 +2.000H2(PO4)- = Ho(PO4)2-3 - log_k -17.82 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --1.000H+ +1.000Ho+3 +1.000H2(PO4)- = Ho(HPO4)+ - log_k -1.41 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --2.000H+ +1.000Ho+3 +2.000H2(PO4)- = Ho(HPO4)2- - log_k -4.52 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -+1.000Ho+3 +1.000H2(PO4)- = Ho(H2PO4)+2 - log_k 2.3 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - --6.000H+ -6.000e- +1.000I- +3.000H2O = IO3- - log_k -111.56 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: -219.7 kJ/mol 92GRE/FUG - - -+2.000H+ +1.000Nb(OH)6- -2.000H2O = Nb(OH)4+ - log_k 6.64 #97PEI/NGU - delta_h -35.35 kJ/mol #97PEI/NGU - # Enthalpy of formation: -1389.355 kJ/mol - - -+1.000H+ +1.000Nb(OH)6- -1.000H2O = Nb(OH)5 - log_k 5.08 #97PEI/NGU - delta_h -13.39 kJ/mol #97PEI/NGU - # Enthalpy of formation: -1653.225 kJ/mol - - --1.000H+ +1.000Nb(OH)6- +1.000H2O = Nb(OH)7-2 - log_k -8.88 #97PEI/NGU - delta_h 10.17 kJ/mol #97PEI/NGU - # Enthalpy of formation: -2201.325 kJ/mol - - -+2.000H+ +2.000e- +1.000SO4-2 -1.000H2O = SO3-2 - log_k -3.62 # - delta_h -7.55 kJ/mol # - # Enthalpy of formation: -631.06 kJ/mol 85GOL/PAR - - --2.000H+ +1.000H2(PO4)- = PO4-3 - log_k -19.56 #89COX/WAG - #delta_h kJ/mol # - # Enthalpy of formation: -1284.4 kJ/mol 89COX/WAG +1.000H2O = H2O + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000H+ = H+ + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #89COX/WAG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000e- = e- + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #89COX/WAG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Acetate- = Acetate- + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -486.01 #kJ/mol #82WAG/EVA + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Adipate-2 = Adipate-2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ag+ = Ag+ + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: 105.79 #kJ/mol #95SIL/BID + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 = Al+3 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -538.4 #kJ/mol #95POK/HEL + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Am+3 = Am+3 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -616.7 #kJ/mol #95SIL/BID + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000AsO4-3 = AsO4-3 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -888.14 #kJ/mol #10RAN/FUG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000B(OH)4- = B(OH)4- + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -1345.116 #kJ/mol #99RAR/RAN + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ba+2 = Ba+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -534.8 #kJ/mol #95SIL/BID + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Br- = Br- + log_k 0.000 #95SIL/BID + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -121.41 #kJ/mol #95SIL/BID + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000CO3-2 = CO3-2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -675.23 #kJ/mol #89COX/WAG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 = Ca+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -543 #kJ/mol #89COX/WAG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 = Cd+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -75.92 #kJ/mol #89COX/WAG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cit-3 = Cit-3 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -1519.92 #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cl- = Cl- + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -167.08 #kJ/mol #89COX/WAG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cm+3 = Cm+3 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -615 #kJ/mol #01KON + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cn- = Cn- + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: 150.624 #kJ/mol #92JOH/OEL + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Co+2 = Co+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -57.6 #kJ/mol #98PLY/ZHA + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000CrO4-2 = CrO4-2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -879 #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cs+ = Cs+ + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -258 #kJ/mol #95SIL/BID + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cu+2 = Cu+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: 64.9 #kJ/mol #92GRE/FUG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Edta-4 = Edta-4 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -1704.8 #kJ/mol #05HUM/AND + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 = Eu+3 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -605.331 #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000F- = F- + log_k 0.000 #95SIL/BID + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -335.35 #kJ/mol #95SIL/BID + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 = Fe+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -90 #kJ/mol #98CHI + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000H2(PO4)- = H2(PO4)- + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -1302.6 #kJ/mol #89COX/WAG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000H4(SiO4) = H4(SiO4) + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -1461.194 #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000HGlu- = HGlu- + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000HIsa- = HIsa- + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Hf+4 = Hf+4 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -628.91 #kJ/mol #99VAS/LYT + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Hg+2 = Hg+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: 170.21 #kJ/mol #92GRE/FUG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ho+3 = Ho+3 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -707.042 #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000I- = I- + log_k 0.000 #92GRE/FUG + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -56.78 #kJ/mol #92GRE/FUG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000K+ = K+ + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -252.14 #kJ/mol #89COX/WAG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Li+ = Li+ + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mg+2 = Mg+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -467 #kJ/mol #89COX/WAG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 = Mn+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -220.8 #kJ/mol #95ROB/HEM + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000MoO4-2 = MoO4-2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -997 #kJ/mol #74OHA + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000NO3- = NO3- + log_k 0.000 #92GRE/FUG + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -206.85 #kJ/mol #92GRE/FUG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Na+ = Na+ + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -240.34 #kJ/mol #92GRE/FUG (89COX/WAG) + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Nb(OH)6- = Nb(OH)6- + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -1925.665 #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 = Ni+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -55.012 #kJ/mol #05GAM/BUG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+2 = NpO2+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -860.733 #kJ/mol #01LEM/FUG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Nta-3 = Nta-3 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ox-2 = Ox-2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -830.66 #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pa+4 = Pa+4 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -620 #kJ/mol #85BAR/PAR + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pb+2 = Pb+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: 0.92 #kJ/mol #89COX/WAG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pd+2 = Pd+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: 189.883 #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Phthalat-2 = Phthalat-2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+2 = PuO2+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -822.036 #kJ/mol #01LEM/FUG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pyrophos-4 = Pyrophos-4 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ra+2 = Ra+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -528.025 #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Rb+ = Rb+ + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -251.12 #kJ/mol #92GRE/FUG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000SO4-2 = SO4-2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -909.34 #kJ/mol #89COX/WAG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sb(OH)3 = Sb(OH)3 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -733.892 #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Scn- = Scn- + log_k 0.000 #92GRE/FUG + delta_h 0.000 #kJ/mol + # Enthalpy of formation: 76.4 #kJ/mol #92GRE/FUG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000SeO4-2 = SeO4-2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -603.5 #kJ/mol #05OLI/NOL + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sm+3 = Sm+3 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -691.199 #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 = Sn+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -9.617 #kJ/mol #12GAJ/SAN + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 = Sr+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -550.9 #kJ/mol #84BUS/PLUS + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000TcO(OH)2 = TcO(OH)2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -749.32 #kJ/mol + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 = Th+4 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -768.7 #kJ/mol #09RAN/FUG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 = UO2+2 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -1019 #kJ/mol #92GRE/FUG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Zn+2 = Zn+2 + log_k 0.000 #92GRE/FUG + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -153.39 #kJ/mol #92GRE/FUG + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Zr+4 = Zr+4 + log_k 0.000 + delta_h 0.000 #kJ/mol + # Enthalpy of formation: -608.5 #kJ/mol #05BRO/CUR + -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 + + +1.000Am+3 + 0.500H2O - 1.000H+ - 0.250O2 = Am+2 + log_k -60.375 #95SIL/BID + delta_h 401.958 #kJ/mol + # Enthalpy of formation: -354.624 #kJ/mol + -analytic 1.00448E+1 0E+0 -2.09957E+4 0E+0 0E+0 + +1.000Am+3 - 0.500H2O + 1.000H+ + 0.250O2 = Am+4 + log_k -22.715 + delta_h 70.819 #kJ/mol + # Enthalpy of formation: -406 #kJ/mol #95SIL/BID + -analytic -1.03081E+1 0E+0 -3.6991E+3 0E+0 0E+0 + +- 2.000H+ + 1.000Am+3 + 1.000H2O + 0.500O2 = AmO2+ + log_k -15.380 + delta_h 104.337 #kJ/mol #95SIL/BID + # Enthalpy of formation: -804.26 #kJ/mol + -analytic 2.89903E+0 0E+0 -5.44989E+3 0E+0 0E+0 + +- 1.000H+ + 1.000Am+3 + 0.500H2O + 0.750O2 = AmO2+2 + log_k -20.865 + delta_h 117.956 #kJ/mol #95SIL/BID + # Enthalpy of formation: -650.76 #kJ/mol + -analytic -2.00114E-1 0E+0 -6.16124E+3 0E+0 0E+0 + +2.000H+ + 1.000CO3-2 + 1.000H2O - 2.000O2 = CH4 + log_k -133.770 + delta_h 848.886 #kJ/mol + # Enthalpy of formation: -87.906 #kJ/mol #01SCH/SHO + -analytic 1.49482E+1 0E+0 -4.43403E+4 0E+0 0E+0 + +4.000H+ + 1.000CrO4-2 - 2.000H2O - 1.000O2 = Cr+2 + log_k -18.760 #04CHI + delta_h 137.587 #kJ/mol + # Enthalpy of formation: -157.62 #kJ/mol + -analytic 5.34417E+0 0E+0 -7.18666E+3 0E+0 0E+0 + +5.000H+ + 1.000CrO4-2 - 2.500H2O - 0.750O2 = Cr+3 + log_k 9.135 + delta_h -85.176 #kJ/mol + # Enthalpy of formation: -240.5 #kJ/mol #04CHI + -analytic -5.78709E+0 0E+0 4.44902E+3 0E+0 0E+0 + +1.000Cu+2 + 0.500H2O - 1.000H+ - 0.250O2 = Cu+ + log_k -18.855 + delta_h 146.652 #kJ/mol + # Enthalpy of formation: 71.67 #kJ/mol #82WAG/EVA + -analytic 6.8372E+0 0E+0 -7.66013E+3 0E+0 0E+0 + +1.000Eu+3 + 0.500H2O - 1.000H+ - 0.250O2 = Eu+2 + log_k -27.465 + delta_h 217.611 #kJ/mol + # Enthalpy of formation: -527.602 #kJ/mol #92JOH/OEL + -analytic 1.06587E+1 0E+0 -1.13666E+4 0E+0 0E+0 + +1.000Fe+2 - 0.500H2O + 1.000H+ + 0.250O2 = Fe+3 + log_k 8.485 + delta_h -98.882 #kJ/mol + # Enthalpy of formation: -49 #kJ/mol #98CHI + -analytic -8.83827E+0 0E+0 5.16493E+3 0E+0 0E+0 + +1.000H2O - 0.500O2 = H2 + log_k -46.070 + delta_h 275.563 #kJ/mol + # Enthalpy of formation: -4.2 #kJ/mol #82WAG/EVA + -analytic 2.20649E+0 0E+0 -1.43936E+4 0E+0 0E+0 + +3.000H+ + 1.000AsO4-3 - 0.500O2 = H3(AsO3) + log_k -2.960 + delta_h 139.873 #kJ/mol + # Enthalpy of formation: -742.2 #kJ/mol #10RAN/FUG + -analytic 2.15447E+1 0E+0 -7.30606E+3 0E+0 0E+0 + +1.000H+ + 1.000SO4-2 - 2.000O2 = HS- + log_k -138.270 + delta_h 868.772 #kJ/mol + # Enthalpy of formation: -16.3 #kJ/mol #89COX/WAG + -analytic 1.39321E+1 0E+0 -4.53791E+4 0E+0 0E+0 + +1.000H+ + 1.000SeO4-2 - 2.000O2 = HSe- + log_k -90.390 + delta_h 593.532 #kJ/mol + # Enthalpy of formation: 14.3 #kJ/mol #05OLI/NOL + -analytic 1.35922E+1 0E+0 -3.10023E+4 0E+0 0E+0 + +2.000Hg+2 + 1.000H2O - 2.000H+ - 0.500O2 = Hg2+2 + log_k -12.200 + delta_h 106.213 #kJ/mol + # Enthalpy of formation: 166.87 #kJ/mol #01LEM/FUG + -analytic 6.40769E+0 0E+0 -5.54788E+3 0E+0 0E+0 + +1.000I- + 1.500O2 = IO3- + log_k 17.410 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: -219.7 #kJ/mol #92GRE/FUG + -analytic 1.7410E+1 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000NO3- + 1.000H2O - 2.000O2 = NH3 + log_k -61.960 #95SIL/BID + delta_h 387.242 #kJ/mol + # Enthalpy of formation: -81.17 #kJ/mol #95SIL/BID + -analytic 5.88179E+0 0E+0 -2.0227E+4 0E+0 0E+0 + +1.000Np+4 + 0.500H2O - 1.000H+ - 0.250O2 = Np+3 + log_k -17.795 + delta_h 168.720 #kJ/mol + # Enthalpy of formation: -527.184 #kJ/mol #01LEM/FUG + -analytic 1.17633E+1 0E+0 -8.81282E+3 0E+0 0E+0 + +1.000NpO2+ + 3.000H+ - 1.500H2O - 0.250O2 = Np+4 + log_k -11.285 + delta_h -9.620 #kJ/mol + # Enthalpy of formation: -556.022 #kJ/mol #01LEM/FUG + -analytic -1.29703E+1 0E+0 5.02461E+2 0E+0 0E+0 + +1.000NpO2+2 + 0.500H2O - 1.000H+ - 0.250O2 = NpO2+ + log_k -1.905 + delta_h 22.434 #kJ/mol + # Enthalpy of formation: -978.181 #kJ/mol #01LEM/FUG + -analytic 2.02517E+0 0E+0 -1.17178E+3 0E+0 0E+0 + +- 4.000H+ - 4.000e- + 2.000H2O = O2 + log_k -85.980 #89COX/WAG + delta_h 559.526 #kJ/mol + # Enthalpy of formation: -12.134 #kJ/mol #01SCH/SHO + -analytic 1.20446E+1 0E+0 -2.9226E+4 0E+0 0E+0 + +- 3.000H+ + 1.000Pa+4 + 1.500H2O + 0.250O2 = PaO2+ + log_k 25.715 #85BAR/PAR, 76BAE/MES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.5715E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 + 0.500H2O - 1.000H+ - 0.250O2 = Pu+3 + log_k -3.805 + delta_h 87.987 #kJ/mol + # Enthalpy of formation: -591.79 #kJ/mol #01LEM/FUG + -analytic 1.16096E+1 0E+0 -4.59585E+3 0E+0 0E+0 + +1.000PuO2+ + 3.000H+ - 1.500H2O - 0.250O2 = Pu+4 + log_k -4.045 + delta_h -61.547 #kJ/mol + # Enthalpy of formation: -539.895 #kJ/mol #01LEM/FUG + -analytic -1.48275E+1 0E+0 3.21479E+3 0E+0 0E+0 + +1.000PuO2+2 + 0.500H2O - 1.000H+ - 0.250O2 = PuO2+ + log_k -5.675 + delta_h 51.791 #kJ/mol #01LEM/FUG + # Enthalpy of formation: -910.127 #kJ/mol + -analytic 3.39829E+0 0E+0 -2.7052E+3 0E+0 0E+0 + +2.000H+ + 2.000SO4-2 - 1.000H2O - 2.000O2 = S2O3-2 + log_k -133.400 + delta_h 856.296 #kJ/mol + # Enthalpy of formation: -652.286 #kJ/mol #04CHI + -analytic 1.66164E+1 0E+0 -4.47274E+4 0E+0 0E+0 + +2.000H+ + 2.000SO4-2 - 1.000H2O - 1.500O2 = S2O4-2 + log_k -118.270 + delta_h 761.149 #kJ/mol + # Enthalpy of formation: -735.5 #kJ/mol #82WAG/EVA + -analytic 1.50774E+1 0E+0 -3.97575E+4 0E+0 0E+0 + +1.000SO4-2 - 0.500O2 = SO3-2 + log_k -46.610 + delta_h 272.213 #kJ/mol + # Enthalpy of formation: -631.06 #kJ/mol #85GOL/PAR + -analytic 1.0796E+0 0E+0 -1.42187E+4 0E+0 0E+0 + +1.000Sb(OH)3 + 1.000H2O + 0.500O2 = Sb(OH)5 + log_k 21.250 #99LOT/OCH recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.125E+1 0E+0 0E+0 0E+0 0E+0 + +1.000SeO4-2 - 0.500O2 = SeO3-2 + log_k -14.950 #05OLI/NOL + delta_h 90.273 #kJ/mol + # Enthalpy of formation: -507.16 #kJ/mol #05OLI/NOL + -analytic 8.65128E-1 0E+0 -4.71528E+3 0E+0 0E+0 + +1.000Sn+2 - 1.000H2O + 2.000H+ + 0.500O2 = Sn+4 + log_k 30.010 #12GAJ/SAN; E¿=0.384V for Sn2+/Sn4+ reaction ( I=0) + delta_h -301.645 #kJ/mol + # Enthalpy of formation: -31.499 #kJ/mol + -analytic -2.28359E+1 0E+0 1.5756E+4 0E+0 0E+0 + +1.000TcO(OH)2 - 1.000H+ - 0.500H2O + 0.750O2 = TcO4- + log_k 35.055 + delta_h -113.895 #kJ/mol + # Enthalpy of formation: -729.4 #kJ/mol #99RAR/RAN + -analytic 1.51016E+1 0E+0 5.94912E+3 0E+0 0E+0 + +1.000TcO4- + 0.500H2O - 1.000H+ - 0.250O2 = TcO4-2 + log_k -32.295 #99RAR/RAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.2295E+1 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 + 0.500H2O - 1.000H+ - 0.250O2 = U+3 + log_k -30.845 #92GRE/FUG + delta_h 241.982 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -489.1 #kJ/mol + -analytic 1.15483E+1 0E+0 -1.26396E+4 0E+0 0E+0 + +1.000UO2+2 + 2.000H+ - 1.000H2O - 0.500O2 = U+4 + log_k -33.950 #92GRE/FUG + delta_h 135.903 #kJ/mol + # Enthalpy of formation: -591.2 #kJ/mol #92GRE/FUG + -analytic -1.01409E+1 0E+0 -7.0987E+3 0E+0 0E+0 + +1.000UO2+2 + 0.500H2O - 1.000H+ - 0.250O2 = UO2+ + log_k -20.015 + delta_h 133.755 #kJ/mol + # Enthalpy of formation: -1025.127 #kJ/mol + -analytic 3.41775E+0 0E+0 -6.98647E+3 0E+0 0E+0 + + +2.000NpO2+2 - 2.000H+ + 2.000H2O = (NpO2)2(OH)2+2 + log_k -6.270 #01LEM/FUG + delta_h 44.996 #kJ/mol + # Enthalpy of formation: -2248.13 #kJ/mol + -analytic 1.61295E+0 0E+0 -2.3503E+3 0E+0 0E+0 + +2.000NpO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (NpO2)2CO3(OH)3- + log_k -2.870 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.87E+0 0E+0 0E+0 0E+0 0E+0 + +3.000NpO2+2 + 6.000CO3-2 = (NpO2)3(CO3)6-6 + log_k 49.840 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.984E+1 0E+0 0E+0 0E+0 0E+0 + +3.000NpO2+2 - 5.000H+ + 5.000H2O = (NpO2)3(OH)5+ + log_k -17.120 #01LEM/FUG + delta_h 110.667 #kJ/mol + # Enthalpy of formation: -3900.682 #kJ/mol + -analytic 2.268E+0 0E+0 -5.78053E+3 0E+0 0E+0 + +2.000PuO2+2 - 2.000H+ + 2.000H2O = (PuO2)2(OH)2+2 + log_k -7.500 #01LEM/FUG + delta_h 43.583 #kJ/mol + # Enthalpy of formation: -2172.149 #kJ/mol + -analytic 1.35403E-1 0E+0 -2.2765E+3 0E+0 0E+0 + +3.000PuO2+2 + 6.000CO3-2 = (PuO2)3(CO3)6-6 + log_k 46.020 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.602E+1 0E+0 0E+0 0E+0 0E+0 + +1.000TcO(OH)2 - 1.000H+ + 1.000H2O = (TcO)(OH)3- + log_k -10.800 + delta_h 39.030 #kJ/mol #97NGU/LAN + # Enthalpy of formation: -996.12 #kJ/mol + -analytic -3.96225E+0 0E+0 -2.03868E+3 0E+0 0E+0 + +2.000Th+4 - 2.000H+ + 2.000Edta-4 + 2.000H2O = (Th(OH)(Edta))2-2 + log_k 43.700 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.37E+1 0E+0 0E+0 0E+0 0E+0 + +2.000U+4 - 2.000H+ + 2.000Edta-4 + 2.000H2O = (U(OH)(Edta))2-2 + log_k 51.700 #63ERM/KRO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.17E+1 0E+0 0E+0 0E+0 0E+0 + +11.000UO2+2 - 12.000H+ + 6.000CO3-2 + 12.000H2O = (UO2)11(CO3)6(OH)12-2 + log_k 36.430 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.643E+1 0E+0 0E+0 0E+0 0E+0 + +2.000UO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (UO2)2(CO3)(OH)3- + log_k -0.860 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -8.6E-1 0E+0 0E+0 0E+0 0E+0 + +2.000UO2+2 + 2.000Cit-3 = (UO2)2(Cit)2-2 + log_k 21.300 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.13E+1 0E+0 0E+0 0E+0 0E+0 + +2.000UO2+2 + 1.000Edta-4 = (UO2)2(Edta) + log_k 20.600 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0 + +2.000UO2+2 + 1.000NpO2+2 + 6.000CO3-2 = (UO2)2(NpO2)(CO3)6-6 + log_k 53.590 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.359E+1 0E+0 0E+0 0E+0 0E+0 + +2.000UO2+2 - 1.000H+ + 1.000H2O = (UO2)2(OH)+3 + log_k -2.700 #92GRE/FUG + delta_h 14.354 #kJ/mol + # Enthalpy of formation: -2309.476 #kJ/mol + -analytic -1.85291E-1 0E+0 -7.49761E+2 0E+0 0E+0 + +2.000UO2+2 - 2.000H+ + 2.000H2O = (UO2)2(OH)2+2 + log_k -5.620 #92GRE/FUG + delta_h 37.595 #kJ/mol + # Enthalpy of formation: -2572.065 #kJ/mol + -analytic 9.66352E-1 0E+0 -1.96372E+3 0E+0 0E+0 + +3.000UO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (UO2)3(CO3)(OH)3+ + log_k 0.660 #92GRE/FUG + delta_h 81.159 #kJ/mol + # Enthalpy of formation: -4361.23 #kJ/mol + -analytic 1.48784E+1 0E+0 -4.23922E+3 0E+0 0E+0 + +3.000UO2+2 + 6.000CO3-2 = (UO2)3(CO3)6-6 + log_k 54.000 #92GRE/FUG + delta_h -62.700 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -7171.08 #kJ/mol + -analytic 4.30154E+1 0E+0 3.27504E+3 0E+0 0E+0 + +3.000UO2+2 - 4.000H+ + 4.000H2O = (UO2)3(OH)4+2 + log_k -11.900 #92GRE/FUG + delta_h 84.264 #kJ/mol + # Enthalpy of formation: -4251.906 #kJ/mol + -analytic 2.8624E+0 0E+0 -4.40141E+3 0E+0 0E+0 + +3.000UO2+2 - 5.000H+ + 5.000H2O = (UO2)3(OH)5+ + log_k -15.550 #92GRE/FUG + delta_h 97.063 #kJ/mol + # Enthalpy of formation: -4389.086 #kJ/mol + -analytic 1.45468E+0 0E+0 -5.06995E+3 0E+0 0E+0 + +3.000UO2+2 - 7.000H+ + 7.000H2O = (UO2)3(OH)7- + log_k -32.200 #92SAN/BRU + delta_h 229.868 #kJ/mol + # Enthalpy of formation: -4827.942 #kJ/mol + -analytic 8.07109E+0 0E+0 -1.20068E+4 0E+0 0E+0 + +4.000UO2+2 - 7.000H+ + 7.000H2O = (UO2)4(OH)7+ + log_k -21.900 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.19E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ag+ + 2.000CO3-2 = Ag(CO3)2-3 + log_k 2.160 #97SVE/SHO + delta_h -28.044 #kJ/mol + # Enthalpy of formation: -1272.714 #kJ/mol + -analytic -2.75309E+0 0E+0 1.46484E+3 0E+0 0E+0 + +1.000Ag+ + 1.000HS- = Ag(HS) + log_k 14.050 #74NAU/RYZ in 91BAL/NOR + delta_h -78.826 #kJ/mol + # Enthalpy of formation: 10.664 #kJ/mol + -analytic 2.40298E-1 0E+0 4.11736E+3 0E+0 0E+0 + +1.000Ag+ + 2.000HS- = Ag(HS)2- + log_k 18.450 #74NAU/RYZ in 91BAL/NOR + delta_h -105.805 #kJ/mol + # Enthalpy of formation: -32.615 #kJ/mol + -analytic -8.62131E-2 0E+0 5.52657E+3 0E+0 0E+0 + +1.000Ag+ - 1.000H+ + 1.000H2O = Ag(OH) + log_k -12.000 #76BAE/MES + delta_h 47.178 #kJ/mol + # Enthalpy of formation: -132.862 #kJ/mol + -analytic -3.73478E+0 0E+0 -2.46427E+3 0E+0 0E+0 + +1.000Ag+ - 2.000H+ + 2.000H2O = Ag(OH)2- + log_k -24.000 #76BAE/MES + delta_h 111.634 #kJ/mol + # Enthalpy of formation: -354.236 #kJ/mol + -analytic -4.44259E+0 0E+0 -5.83104E+3 0E+0 0E+0 + +1.000Ag+ + 1.000S2O3-2 = Ag(S2O3)- + log_k 9.230 #74BEL/MAR in 82H¿G + delta_h -58.994 #kJ/mol #74BEL/MAR in 82H¿G + # Enthalpy of formation: -601.724 #kJ/mol + -analytic -1.10529E+0 0E+0 3.08147E+3 0E+0 0E+0 + +1.000Ag+ + 2.000S2O3-2 = Ag(S2O3)2-3 + log_k 13.640 #72POU/RIG in 82H¿G + delta_h -94.450 #kJ/mol + # Enthalpy of formation: -1285.7 #kJ/mol #82WAG/EVA + -analytic -2.90691E+0 0E+0 4.93346E+3 0E+0 0E+0 + +1.000Ag+ + 1.000SO3-2 = Ag(SO3)- + log_k 5.210 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.21E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ag+ + 1.000SO4-2 = Ag(SO4)- + log_k 1.380 + delta_h 4.646 #kJ/mol + # Enthalpy of formation: -798.904 #kJ/mol + -analytic 2.19394E+0 0E+0 -2.42677E+2 0E+0 0E+0 + +1.000Ag+ + 3.000H+ + 3.000Cn- + 3.000HSe- - 3.000H2O + 1.500O2 = Ag(SeCn)3-2 + log_k 181.900 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.819E+2 0E+0 0E+0 0E+0 0E+0 + +1.000Ag+ + 1.000SeO3-2 = Ag(SeO3)- + log_k 3.200 #Data from 68MEH and 69MEH/GUB in 05OLI/NOL corrected to I=0 by DH + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.2E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ag+ + 1.000Br- = AgBr + log_k 4.240 #91BAL/NOR, 68WAG + delta_h -23.129 #kJ/mol + # Enthalpy of formation: -38.749 #kJ/mol + -analytic 1.87979E-1 0E+0 1.20811E+3 0E+0 0E+0 + +1.000Ag+ + 2.000Br- = AgBr2- + log_k 7.280 #91BAL/NOR, 68WAG + delta_h -45.296 #kJ/mol + # Enthalpy of formation: -182.326 #kJ/mol + -analytic -6.55507E-1 0E+0 2.36597E+3 0E+0 0E+0 + +1.000Ag+ + 3.000Br- = AgBr3-2 + log_k 8.710 #91BAL/NOR, 68WAG + delta_h -66.741 #kJ/mol + # Enthalpy of formation: -325.181 #kJ/mol + -analytic -2.9825E+0 0E+0 3.48612E+3 0E+0 0E+0 + +1.000Ag+ + 1.000CO3-2 = AgCO3- + log_k 2.690 #97SVE/SHO + delta_h -22.832 #kJ/mol + # Enthalpy of formation: -592.272 #kJ/mol + -analytic -1.30999E+0 0E+0 1.1926E+3 0E+0 0E+0 + +1.000Ag+ + 1.000Cl- = AgCl + log_k 3.270 #91BAL/NOR + delta_h -17.099 #kJ/mol + # Enthalpy of formation: -78.389 #kJ/mol + -analytic 2.74388E-1 0E+0 8.93142E+2 0E+0 0E+0 + +1.000Ag+ + 2.000Cl- = AgCl2- + log_k 5.270 #91BAL/NOR + delta_h -28.752 #kJ/mol + # Enthalpy of formation: -257.122 #kJ/mol + -analytic 2.32873E-1 0E+0 1.50182E+3 0E+0 0E+0 + +1.000Ag+ + 3.000Cl- = AgCl3-2 + log_k 5.290 #91BAL/NOR + delta_h -29.163 #kJ/mol + # Enthalpy of formation: -424.613 #kJ/mol + -analytic 1.80869E-1 0E+0 1.52329E+3 0E+0 0E+0 + +1.000Ag+ + 4.000Cl- = AgCl4-3 + log_k 5.510 #91BAL/NOR + delta_h -26.094 #kJ/mol + # Enthalpy of formation: -588.624 #kJ/mol + -analytic 9.38534E-1 0E+0 1.36298E+3 0E+0 0E+0 + +1.000Ag+ + 1.000I- = AgI + log_k 6.580 #76SMI/MAR + delta_h -36.962 #kJ/mol + # Enthalpy of formation: 12.048 #kJ/mol + -analytic 1.04545E-1 0E+0 1.93066E+3 0E+0 0E+0 + +1.000Ag+ + 2.000I- = AgI2- + log_k 11.700 #76SMI/MAR + delta_h -76.578 #kJ/mol + # Enthalpy of formation: -84.348 #kJ/mol + -analytic -1.71587E+0 0E+0 3.99994E+3 0E+0 0E+0 + +1.000Ag+ + 3.000I- = AgI3-2 + log_k 13.280 + delta_h -114.911 #kJ/mol + # Enthalpy of formation: -179.461 #kJ/mol + -analytic -6.85151E+0 0E+0 6.00221E+3 0E+0 0E+0 + +1.000Ag+ + 1.000NO3- = AgNO3 + log_k -0.290 #91BAL/NOR, 68WAG + delta_h -0.740 #kJ/mol + # Enthalpy of formation: -101.8 #kJ/mol #82WAG/EVA + -analytic -4.19642E-1 0E+0 3.86528E+1 0E+0 0E+0 + +1.000Al+3 + 1.000Cit-3 = Al(Cit) + log_k 9.900 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.9E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 - 1.000H+ + 2.000Cit-3 + 1.000H2O = Al(Cit)2(OH)-4 + log_k 10.190 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.019E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 + 2.000Cit-3 = Al(Cit)2-3 + log_k 14.130 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.413E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 + 1.000Edta-4 = Al(Edta)- + log_k 19.080 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.908E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 + 1.000H+ + 1.000Cit-3 = Al(HCit)+ + log_k 12.900 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 + 1.000H+ + 1.000Edta-4 = Al(HEdta) + log_k 21.820 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.182E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 + 1.000H+ + 1.000Nta-3 = Al(HNta)+ + log_k 15.130 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.513E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 + 1.000H+ + 1.000Ox-2 = Al(HOx)+2 + log_k 7.500 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 + 1.000IO3- = Al(IO3)+2 + log_k 2.460 #estimation NEA87 08/2/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.46E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 + 2.000IO3- = Al(IO3)2+ + log_k 4.300 #estimation NEA87 08/2/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.3E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 + 1.000Nta-3 = Al(Nta) + log_k 13.230 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.323E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Al(Nta)(OH)2-2 + log_k -0.300 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 + 2.000Nta-3 = Al(Nta)2-3 + log_k 20.800 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.08E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Al(OH)(Cit)- + log_k 8.100 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.1E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Al(OH)(Edta)-2 + log_k 13.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Al(OH)(Nta)- + log_k 6.790 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 - 1.000H+ + 1.000H2O = Al(OH)+2 + log_k -4.950 #95POK/HEL + delta_h 49.760 #kJ/mol + # Enthalpy of formation: -774.47 #kJ/mol + -analytic 3.76756E+0 0E+0 -2.59914E+3 0E+0 0E+0 + +1.000Al+3 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Al(OH)2(Edta)-3 + log_k 2.300 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 - 2.000H+ + 2.000H2O = Al(OH)2+ + log_k -10.580 + delta_h 98.264 #kJ/mol + # Enthalpy of formation: -1011.796 #kJ/mol #95POK/HEL + -analytic 6.63509E+0 0E+0 -5.13268E+3 0E+0 0E+0 + +1.000Al+3 - 2.000H+ + 1.000F- + 2.000H2O = Al(OH)2F + log_k -4.210 + delta_h 118.636 #kJ/mol + # Enthalpy of formation: -1326.774 #kJ/mol #01TAG/SCH + -analytic 1.65741E+1 0E+0 -6.19678E+3 0E+0 0E+0 + +1.000Al+3 - 2.000H+ + 2.000F- + 2.000H2O = Al(OH)2F2- + log_k -1.990 + delta_h 134.839 #kJ/mol + # Enthalpy of formation: -1645.921 #kJ/mol #01TAG/SCH + -analytic 2.16327E+1 0E+0 -7.04312E+3 0E+0 0E+0 + +1.000Al+3 - 3.000H+ + 3.000H2O = Al(OH)3 + log_k -16.420 + delta_h 144.686 #kJ/mol + # Enthalpy of formation: -1251.204 #kJ/mol #95POK/HEL + -analytic 8.92786E+0 0E+0 -7.55747E+3 0E+0 0E+0 + +1.000Al+3 - 4.000H+ + 4.000H2O = Al(OH)4- + log_k -22.870 + delta_h 180.881 #kJ/mol + # Enthalpy of formation: -1500.839 #kJ/mol #95POK/HEL + -analytic 8.81894E+0 0E+0 -9.44806E+3 0E+0 0E+0 + +1.000Al+3 + 1.000Ox-2 = Al(Ox)+ + log_k 9.400 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.4E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 + 2.000Ox-2 = Al(Ox)2- + log_k 15.390 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.539E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 + 3.000Ox-2 = Al(Ox)3-3 + log_k 18.300 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 + 1.000SO4-2 = Al(SO4)+ + log_k 3.170 #01TAG/SCH + delta_h 18.870 #kJ/mol + # Enthalpy of formation: -1428.87 #kJ/mol + -analytic 6.47588E+0 0E+0 -9.85647E+2 0E+0 0E+0 + +2.000Al+3 - 2.000H+ + 4.000Ox-2 + 2.000H2O = Al2(Ox)4(OH)2-4 + log_k -6.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6E+0 0E+0 0E+0 0E+0 0E+0 + +3.000Al+3 - 4.000H+ + 3.000Cit-3 + 4.000H2O = Al3(Cit)3(OH)4-4 + log_k 20.600 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0 + +3.000Al+3 - 3.000H+ + 3.000Ox-2 + 3.000H2O = Al3(Ox)3(OH)3 + log_k 16.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0 + +4.000Al+3 - 4.000H+ + 4.000Ox-2 + 4.000H2O = Al4(Ox)4(OH)4 + log_k 21.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.1E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Al+3 + 1.000F- = AlF+2 + log_k 6.980 #01TAG/SCH + delta_h -0.346 #kJ/mol + # Enthalpy of formation: -874.096 #kJ/mol + -analytic 6.91938E+0 0E+0 1.80728E+1 0E+0 0E+0 + +1.000Al+3 + 2.000F- = AlF2+ + log_k 12.500 #01TAG/SCH + delta_h 0.420 #kJ/mol + # Enthalpy of formation: -1208.68 #kJ/mol + -analytic 1.25736E+1 0E+0 -2.19381E+1 0E+0 0E+0 + +1.000Al+3 + 3.000F- = AlF3 + log_k 16.550 #01TAG/SCH + delta_h 0.615 #kJ/mol + # Enthalpy of formation: -1543.835 #kJ/mol + -analytic 1.66577E+1 0E+0 -3.21236E+1 0E+0 0E+0 + +1.000Al+3 + 4.000F- = AlF4- + log_k 18.930 #01TAG/SCH + delta_h 0.823 #kJ/mol + # Enthalpy of formation: -1878.977 #kJ/mol + -analytic 1.90742E+1 0E+0 -4.29882E+1 0E+0 0E+0 + +1.000Al+3 - 1.000H+ + 1.000H4(SiO4) = AlH3SiO4+2 + log_k -2.380 #01TAG/SCH + delta_h 77.389 #kJ/mol + # Enthalpy of formation: -1922.205 #kJ/mol + -analytic 1.1178E+1 0E+0 -4.0423E+3 0E+0 0E+0 + +1.000Al+3 - 1.000H+ + 2.000F- + 1.000H2O = AlOHF2 + log_k 0.210 + delta_h 139.337 #kJ/mol + # Enthalpy of formation: -1355.593 #kJ/mol #01TAG/SCH + -analytic 2.46208E+1 0E+0 -7.27807E+3 0E+0 0E+0 + +1.000Am+3 + 1.000Acetate- = Am(Acetate)+2 + log_k 2.940 #11RIC/GRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.94E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Am+3 + 2.000Acetate- = Am(Acetate)2+ + log_k 5.070 #69MOS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.07E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Am+3 + 3.000Acetate- = Am(Acetate)3 + log_k 6.540 #69MOS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.54E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Am+3 + 1.000CO3-2 = Am(CO3)+ + log_k 7.900 #recalculated from 03GUI/FAN + delta_h 158.156 #kJ/mol + # Enthalpy of formation: -1133.774 #kJ/mol + -analytic 3.56077E+1 0E+0 -8.26105E+3 0E+0 0E+0 + +1.000Am+3 + 2.000CO3-2 = Am(CO3)2- + log_k 12.600 #recalculated from 03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Am+3 + 3.000CO3-2 = Am(CO3)3-3 + log_k 14.600 #Recalculated from 03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Am+3 + 5.000CO3-2 - 0.500H2O + 1.000H+ + 0.250O2 = Am(CO3)5-6 + log_k 16.395 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.6395E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Am+3 + 1.000Cit-3 = Am(Cit) + log_k 8.550 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.55E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Am+3 + 2.000Cit-3 = Am(Cit)2-3 + log_k 13.900 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Am+3 + 1.000Edta-4 = Am(Edta)- + log_k 19.670 #05HUM/AND + delta_h -10.600 #kJ/mol + # Enthalpy of formation: -2332.1 #kJ/mol + -analytic 1.7813E+1 0E+0 5.53676E+2 0E+0 0E+0 + +1.000Am+3 + 1.000H2(PO4)- = Am(H2PO4)+2 + log_k 3.000 #95SIL/BID + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3E+0 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000Am+3 + 1.000CO3-2 = Am(HCO3)+2 + log_k 13.430 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.343E+1 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000Am+3 + 1.000Cit-3 = Am(HCit)+ + log_k 12.860 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.286E+1 0E+0 0E+0 0E+0 0E+0 + +2.000H+ + 1.000Am+3 + 2.000Cit-3 = Am(HCit)2- + log_k 23.520 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.352E+1 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000Am+3 + 1.000Edta-4 = Am(HEdta) + log_k 21.840 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.184E+1 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000Am+3 + 1.000H2(PO4)- = Am(HPO4)+ + log_k -1.740 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.74E+0 0E+0 0E+0 0E+0 0E+0 + +- 2.000H+ + 1.000Am+3 + 2.000H2(PO4)- = Am(HPO4)2- + log_k -5.310 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.31E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Am+3 + 1.000NO3- = Am(NO3)+2 + log_k 1.330 #95SIL/BID + delta_h 1.800 #kJ/mol #09SKE/PAN + # Enthalpy of formation: -821.75 #kJ/mol + -analytic 1.64535E+0 0E+0 -9.40204E+1 0E+0 0E+0 + +1.000Am+3 + 1.000Nta-3 = Am(Nta) + log_k 13.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Am+3 + 2.000Nta-3 = Am(Nta)2-3 + log_k 22.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.2E+1 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000Am+3 + 1.000H2O = Am(OH)+2 + log_k -7.200 #03GUI/FAN, 88STA/KIM, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE + delta_h 78.411 #kJ/mol + # Enthalpy of formation: -824.119 #kJ/mol + -analytic 6.537E+0 0E+0 -4.09569E+3 0E+0 0E+0 + +- 2.000H+ + 1.000Am+3 + 2.000H2O = Am(OH)2+ + log_k -15.100 #03GUI/FAN, 88STA/KIM, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE + delta_h 143.704 #kJ/mol + # Enthalpy of formation: -1044.656 #kJ/mol + -analytic 1.00758E+1 0E+0 -7.50617E+3 0E+0 0E+0 + +- 3.000H+ + 1.000Am+3 + 3.000H2O = Am(OH)3 + log_k -26.200 #03GUI/FAN, 88STA/KIM, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE + delta_h 230.125 #kJ/mol + # Enthalpy of formation: -1244.065 #kJ/mol + -analytic 1.41161E+1 0E+0 -1.20202E+4 0E+0 0E+0 + +- 3.000H+ + 1.000Am+3 + 1.000HGlu- + 3.000H2O = Am(OH)3(HGlu)- + log_k -19.700 #05TIT/WIE + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.97E+1 0E+0 0E+0 0E+0 0E+0 + +- 3.000H+ + 1.000Am+3 + 1.000HIsa- + 3.000H2O = Am(OH)3(HIsa)- + log_k -21.500 #05TIT/WIE + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.15E+1 0E+0 0E+0 0E+0 0E+0 + +- 4.000H+ + 1.000Am+3 + 4.000H2O = Am(OH)4- + log_k -40.700 #07NEC/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.07E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Am+3 + 1.000Ox-2 = Am(Ox)+ + log_k 6.510 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.51E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Am+3 + 2.000Ox-2 = Am(Ox)2- + log_k 10.710 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.071E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Am+3 + 3.000Ox-2 = Am(Ox)3-3 + log_k 13.000 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0 + +- 4.000H+ + 1.000Am+3 + 2.000H2(PO4)- = Am(PO4)2-3 + log_k -19.430 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.943E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Am+3 + 1.000Phthalat-2 = Am(Phthalat)+ + log_k 4.930 #In analogy with Cm + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.93E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Am+3 + 1.000SO4-2 = Am(SO4)+ + log_k 3.450 #12GRI/COL + delta_h 15.493 #kJ/mol + # Enthalpy of formation: -1510.547 #kJ/mol + -analytic 6.16425E+0 0E+0 -8.09255E+2 0E+0 0E+0 + +1.000Am+3 + 2.000SO4-2 = Am(SO4)2- + log_k 4.570 #12GRI/COL + delta_h 20.927 #kJ/mol + # Enthalpy of formation: -2414.453 #kJ/mol + -analytic 8.23625E+0 0E+0 -1.09309E+3 0E+0 0E+0 + +1.000Am+3 + 1.000Cl- = AmCl+2 + log_k 0.240 #97K¿N/FAN + delta_h 25.106 #kJ/mol + # Enthalpy of formation: -758.674 #kJ/mol + -analytic 4.63838E+0 0E+0 -1.31138E+3 0E+0 0E+0 + +1.000Am+3 + 2.000Cl- = AmCl2+ + log_k -0.740 #97K¿N/FAN + delta_h 40.568 #kJ/mol + # Enthalpy of formation: -910.292 #kJ/mol + -analytic 6.3672E+0 0E+0 -2.11901E+3 0E+0 0E+0 + +1.000Am+3 + 1.000F- = AmF+2 + log_k 3.400 #03GUI/FAN + delta_h 27.134 #kJ/mol + # Enthalpy of formation: -924.916 #kJ/mol + -analytic 8.15367E+0 0E+0 -1.41731E+3 0E+0 0E+0 + +1.000Am+3 + 2.000F- = AmF2+ + log_k 5.800 #95SIL/BID + delta_h 22.320 #kJ/mol + # Enthalpy of formation: -1265.08 #kJ/mol + -analytic 9.71029E+0 0E+0 -1.16585E+3 0E+0 0E+0 + +1.000Am+3 + 3.000F- = AmF3 + log_k 10.820 #69AZI/LYL + delta_h -12.119 #kJ/mol + # Enthalpy of formation: -1634.869 #kJ/mol + -analytic 8.69685E+0 0E+0 6.33019E+2 0E+0 0E+0 + +1.000AmO2+ + 1.000CO3-2 = AmO2(CO3)- + log_k 5.100 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.1E+0 0E+0 0E+0 0E+0 0E+0 + +1.000AmO2+ + 2.000CO3-2 = AmO2(CO3)2-3 + log_k 6.700 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.7E+0 0E+0 0E+0 0E+0 0E+0 + +1.000AmO2+ + 3.000CO3-2 = AmO2(CO3)3-5 + log_k 5.100 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.1E+0 0E+0 0E+0 0E+0 0E+0 + +- 2.000H+ + 1.000AmO2+ + 2.000H2O = AmO2(OH)2- + log_k -23.600 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.36E+1 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000AmO2+ + 1.000H2O = AmO2OH + log_k -11.300 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.13E+1 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000Am+3 + 1.000H4(SiO4) = AmOSi(OH)3+2 + log_k -2.310 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.31E+0 0E+0 0E+0 0E+0 0E+0 + +- 2.000H+ + 1.000Am+3 + 1.000H2(PO4)- = AmPO4 + log_k -7.760 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7.76E+0 0E+0 0E+0 0E+0 0E+0 + +- 3.000H+ + 1.000H3(AsO3) = AsO3-3 + log_k -38.590 #79IVA/VOR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.859E+1 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000B(OH)4- - 1.000H2O = B(OH)3 + log_k 9.240 + delta_h -13.514 #kJ/mol + # Enthalpy of formation: -1072.8 #kJ/mol #01LEM/FUG + -analytic 6.87245E+0 0E+0 7.05884E+2 0E+0 0E+0 + +2.000H+ + 3.000B(OH)4- - 7.000H2O = B3O5- + log_k 20.900 #97CRO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.09E+1 0E+0 0E+0 0E+0 0E+0 + +2.000H+ + 4.000B(OH)4- - 9.000H2O = B4O7-2 + log_k 21.900 #97CRO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.19E+1 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000F- + 1.000B(OH)4- - 1.000H2O = BF(OH)3- + log_k 8.940 #77NOR/JEN + delta_h -39.078 #kJ/mol #77NOR/JEN + # Enthalpy of formation: -1433.714 #kJ/mol + -analytic 2.09384E+0 0E+0 2.04118E+3 0E+0 0E+0 + +2.000H+ + 2.000F- + 1.000B(OH)4- - 2.000H2O = BF2(OH)2- + log_k 16.970 #77NOR/JEN + delta_h -38.702 #kJ/mol #77NOR/JEN + # Enthalpy of formation: -1482.858 #kJ/mol + -analytic 1.01897E+1 0E+0 2.02154E+3 0E+0 0E+0 + +3.000H+ + 3.000F- + 1.000B(OH)4- - 3.000H2O = BF3(OH)- + log_k 23.010 #77NOR/JEN + delta_h -38.326 #kJ/mol #77NOR/JEN + # Enthalpy of formation: -1532.002 #kJ/mol + -analytic 1.62956E+1 0E+0 2.0019E+3 0E+0 0E+0 + +4.000H+ + 4.000F- + 1.000B(OH)4- - 4.000H2O = BF4- + log_k 29.620 #77NOR/JEN + delta_h 73.680 #kJ/mol #77NOR/JEN + # Enthalpy of formation: -1616.876 #kJ/mol + -analytic 4.25282E+1 0E+0 -3.84857E+3 0E+0 0E+0 + +1.000Ba+2 + 1.000CO3-2 = Ba(CO3) + log_k 2.710 #86BUS/PLU + delta_h 14.841 #kJ/mol #86BUS/PLU + # Enthalpy of formation: -1195.189 #kJ/mol + -analytic 5.31003E+0 0E+0 -7.75198E+2 0E+0 0E+0 + +1.000Ba+2 + 1.000H+ + 1.000CO3-2 = Ba(HCO3)+ + log_k 11.310 #86BUS/PLU + delta_h 8.560 #kJ/mol #86BUS/PLU + # Enthalpy of formation: -1201.47 #kJ/mol + -analytic 1.28096E+1 0E+0 -4.47119E+2 0E+0 0E+0 + +1.000Ba+2 + 1.000NO3- = Ba(NO3)+ + log_k -0.310 + delta_h 6.819 #kJ/mol + # Enthalpy of formation: -734.831 #kJ/mol + -analytic 8.84636E-1 0E+0 -3.56181E+2 0E+0 0E+0 + +1.000Ba+2 - 1.000H+ + 1.000H2O = Ba(OH)+ + log_k -13.470 #76BAE/MES + delta_h 87.395 #kJ/mol + # Enthalpy of formation: -733.235 #kJ/mol + -analytic 1.84092E+0 0E+0 -4.56495E+3 0E+0 0E+0 + +1.000Ba+2 + 1.000SO4-2 = Ba(SO4) + log_k 2.700 #76SMI/MAR + delta_h 7.367 #kJ/mol + # Enthalpy of formation: -1436.773 #kJ/mol + -analytic 3.99064E+0 0E+0 -3.84805E+2 0E+0 0E+0 + +1.000Ba+2 + 1.000B(OH)4- = BaB(OH)4+ + log_k 1.490 #80BAS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.49E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ba+2 + 1.000F- = BaF+ + log_k 0.400 + delta_h 6.697 #kJ/mol + # Enthalpy of formation: -863.452 #kJ/mol #97SVE/SHO + -analytic 1.57326E+0 0E+0 -3.49808E+2 0E+0 0E+0 + +2.000H+ + 1.000CO3-2 - 1.000H2O - 0.500O2 = CO + log_k -31.390 + delta_h 262.373 #kJ/mol + # Enthalpy of formation: -120.96 #kJ/mol #82WAG/EVA + -analytic 1.45757E+1 0E+0 -1.37047E+4 0E+0 0E+0 + +2.000H+ + 1.000CO3-2 - 1.000H2O = CO2 + log_k 16.680 + delta_h -23.860 #kJ/mol + # Enthalpy of formation: -413.26 #kJ/mol #89COX/WAG + -analytic 1.24999E+1 0E+0 1.24629E+3 0E+0 0E+0 + +1.000Ca+2 + 1.000Acetate- = Ca(Acetate)+ + log_k 1.120 #95DER/DIG + delta_h -19.338 #kJ/mol + # Enthalpy of formation: -1048.348 #kJ/mol + -analytic -2.26787E+0 0E+0 1.01009E+3 0E+0 0E+0 + +1.000Ca+2 + 1.000Adipate-2 = Ca(Adipate) + log_k 2.190 #04MAR/SMI from 40TOP/DAV + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.19E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 - 3.000H+ + 1.000Am+3 + 3.000H2O = Ca(Am(OH)3)+2 + log_k -26.300 #07RAB/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000AsO4-3 = Ca(AsO4)- + log_k 5.770 #10MAR/ACC + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.77E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000Cit-3 = Ca(Cit)- + log_k 4.800 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: -2062.92 #kJ/mol + -analytic 4.8E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 - 3.000H+ + 1.000Cm+3 + 3.000H2O = Ca(Cm(OH)3)+2 + log_k -26.300 #07RAB/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000Edta-4 = Ca(Edta)-2 + log_k 12.690 #05HUM/AND + delta_h -22.200 #kJ/mol + # Enthalpy of formation: -2270 #kJ/mol + -analytic 8.80073E+0 0E+0 1.15959E+3 0E+0 0E+0 + +1.000Ca+2 + 1.000Eu+3 - 3.000H+ + 3.000H2O = Ca(Eu(OH)3)+2 + log_k -26.300 #07RAB/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 2.000H+ + 1.000AsO4-3 = Ca(H2AsO4)+ + log_k 19.870 #10MAR/ACC + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.987E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 2.000H+ + 1.000Cit-3 = Ca(H2Cit)+ + log_k 12.670 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.267E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000H2(PO4)- = Ca(H2PO4)+ + log_k 1.410 #68CHU/MAR + delta_h 14.226 #kJ/mol #68CHU/MAR + # Enthalpy of formation: -1831.374 #kJ/mol + -analytic 3.90228E+0 0E+0 -7.43075E+2 0E+0 0E+0 + +1.000Ca+2 - 1.000H+ + 1.000H4(SiO4) = Ca(H3SiO4)+ + log_k -8.830 #97SVE/SHO + delta_h 31.633 #kJ/mol + # Enthalpy of formation: -1972.561 #kJ/mol + -analytic -3.28814E+0 0E+0 -1.6523E+3 0E+0 0E+0 + +1.000Ca+2 + 1.000H+ + 1.000AsO4-3 = Ca(HAsO4) + log_k 13.900 #10MAR/ACC + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000H+ + 1.000CO3-2 = Ca(HCO3)+ + log_k 11.430 #96BOU + delta_h -23.597 #kJ/mol + # Enthalpy of formation: -1241.827 #kJ/mol + -analytic 7.29599E+0 0E+0 1.23256E+3 0E+0 0E+0 + +1.000Ca+2 + 1.000H+ + 1.000Cit-3 = Ca(HCit) + log_k 9.280 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.28E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000H+ + 1.000Edta-4 = Ca(HEdta)- + log_k 16.230 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.623E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000HGlu- = Ca(HGlu)+ + log_k 1.730 #52SCH/LIN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.73E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000HIsa- = Ca(HIsa)+ + log_k 1.700 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.7E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000H+ + 1.000Nta-3 = Ca(HNta) + log_k 13.400 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 2.000H+ + 2.000Nta-3 = Ca(HNta)2-2 + log_k 23.630 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.363E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- = Ca(HPO4) + log_k -4.470 #68CHU/MAR + delta_h 17.407 #kJ/mol #68CHU/MAR + # Enthalpy of formation: -1828.193 #kJ/mol + -analytic -1.42043E+0 0E+0 -9.0923E+2 0E+0 0E+0 + +1.000Ca+2 + 1.000H+ + 1.000Phthalat-2 = Ca(HPhthalat)+ + log_k 6.420 #85DAN/DER + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.42E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000H+ + 1.000Pyrophos-4 = Ca(HPyrophos)- + log_k 13.800 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 - 3.000H+ + 1.000Ho+3 + 3.000H2O = Ca(Ho(OH)3)+2 + log_k -26.300 #07RAB/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000IO3- = Ca(IO3)+ + log_k 0.400 #estimation NEA87 08/2/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 - 1.000H+ + 1.000HIsa- = Ca(Isa) + log_k -10.400 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000NH3 = Ca(NH3)+2 + log_k -0.100 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 2.000NH3 = Ca(NH3)2+2 + log_k -0.700 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 3.000NH3 = Ca(NH3)3+2 + log_k -1.500 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 4.000NH3 = Ca(NH3)4+2 + log_k -2.600 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.6E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000Nta-3 = Ca(Nta)- + log_k 7.730 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7.73E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 - 1.000H+ + 1.000HGlu- + 1.000H2O = Ca(OH)(HGlu) + log_k -10.400 #02TIT/WIE + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 - 1.000H+ + 1.000H2O = Ca(OH)+ + log_k -12.780 #87GAR/PAR + delta_h 77.206 #kJ/mol + # Enthalpy of formation: -751.624 #kJ/mol + -analytic 7.45891E-1 0E+0 -4.03274E+3 0E+0 0E+0 + +1.000Ca+2 + 1.000Ox-2 = Ca(Ox) + log_k 3.190 #05HUM/AND + delta_h 6.807 #kJ/mol + # Enthalpy of formation: -1366.853 #kJ/mol + -analytic 4.38253E+0 0E+0 -3.55554E+2 0E+0 0E+0 + +1.000Ca+2 + 2.000Ox-2 = Ca(Ox)2-2 + log_k 4.020 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.02E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 - 2.000H+ + 1.000H2(PO4)- = Ca(PO4)- + log_k -13.100 #68CHU/MAR + delta_h 31.170 #kJ/mol + # Enthalpy of formation: -1814.43 #kJ/mol + -analytic -7.63926E+0 0E+0 -1.62812E+3 0E+0 0E+0 + +1.000Ca+2 + 1.000Phthalat-2 = Ca(Phthalat) + log_k 2.490 #85DAN/DER + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.49E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000Pyrophos-4 = Ca(Pyrophos)-2 + log_k 7.500 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000S2O3-2 = Ca(S2O3) + log_k 1.900 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de Hatches3.0) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: -1191.5 #kJ/mol + -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000SO4-2 = Ca(SO4) + log_k 2.310 #53BEL/GEO + delta_h 4.292 #kJ/mol + # Enthalpy of formation: -1448.048 #kJ/mol + -analytic 3.06193E+0 0E+0 -2.24186E+2 0E+0 0E+0 + +1.000Ca+2 + 1.000SeO4-2 = Ca(SeO4) + log_k 2.000 #05OLI/NOL + delta_h 1.475 #kJ/mol + # Enthalpy of formation: -1145.025 #kJ/mol + -analytic 2.25841E+0 0E+0 -7.70445E+1 0E+0 0E+0 + +1.000Ca+2 + 1.000Sm+3 - 3.000H+ + 3.000H2O = Ca(Sm(OH)3)+2 + log_k -26.300 #07RAB/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 + +2.000Ca+2 - 4.000H+ + 1.000Am+3 + 4.000H2O = Ca2(Am(OH)4)+3 + log_k -37.200 #07RAB/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 + +2.000Ca+2 - 4.000H+ + 1.000Cm+3 + 4.000H2O = Ca2(Cm(OH)4)+3 + log_k -37.200 #07RAB/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 + +2.000Ca+2 + 1.000Eu+3 - 4.000H+ + 4.000H2O = Ca2(Eu(OH)4)+3 + log_k -37.200 #07RAB/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 + +2.000Ca+2 - 4.000H+ + 1.000Ho+3 + 4.000H2O = Ca2(Ho(OH)4)+3 + log_k -37.200 #07RAB/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 + +2.000Ca+2 + 1.000Sm+3 - 4.000H+ + 4.000H2O = Ca2(Sm(OH)4)+3 + log_k -37.200 #07RAB/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 + +2.000Ca+2 + 3.000CO3-2 + 1.000UO2+2 = Ca2UO2(CO3)3 + log_k 30.700 #06DON/BRO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.07E+1 0E+0 0E+0 0E+0 0E+0 + +3.000Ca+2 - 6.000H+ + 1.000Am+3 + 6.000H2O = Ca3(Am(OH)6)+3 + log_k -60.700 #07RAB/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 + +3.000Ca+2 - 6.000H+ + 1.000Cm+3 + 6.000H2O = Ca3(Cm(OH)6)+3 + log_k -60.700 #07RAB/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 + +3.000Ca+2 + 1.000Eu+3 - 6.000H+ + 6.000H2O = Ca3(Eu(OH)6)+3 + log_k -60.700 #07RAB/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 + +3.000Ca+2 - 6.000H+ + 1.000Ho+3 + 6.000H2O = Ca3(Ho(OH)6)+3 + log_k -60.700 #07RAB/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 + +3.000Ca+2 + 1.000Sm+3 - 6.000H+ + 6.000H2O = Ca3(Sm(OH)6)+3 + log_k -60.700 #07RAB/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 + +4.000Ca+2 + 1.000Th+4 - 8.000H+ + 8.000H2O = Ca4Th(OH)8+4 + log_k -63.100 #08ALT/NEC + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.31E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000B(OH)4- = CaB(OH)4+ + log_k 1.800 #97CRO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000CO3-2 = CaCO3 + log_k 3.220 #96BOU + delta_h 14.830 #kJ/mol + # Enthalpy of formation: -1203.4 #kJ/mol #96BOU + -analytic 5.8181E+0 0E+0 -7.74624E+2 0E+0 0E+0 + +1.000Ca+2 + 1.000CrO4-2 = CaCrO4 + log_k 2.770 #00PER/PAL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.77E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000F- = CaF+ + log_k 0.940 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; S¿lection de donn¿es thermodynamiques aff¿rentes aux corrections de Temp¿rature sur les principaux ¿quilibres chimiques en milieu naturel + delta_h 17.238 #kJ/mol + # Enthalpy of formation: -861.112 #kJ/mol + -analytic 3.95996E+0 0E+0 -9.00402E+2 0E+0 0E+0 + +1.000Ca+2 + 1.000I- = CaI+ + log_k 0.140 #estimation NEA87 08/2/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.4E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 2.000I- = CaI2 + log_k -0.020 #estimation NEA87 08/2/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2E-2 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000Th+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = CaTh(OH)4(HGlu)+ + log_k -9.000 #13COL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -9E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000Th+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = CaTh(OH)4(HIsa)+ + log_k -9.000 #13COL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -9E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ca+2 + 1.000UO2+2 + 3.000CO3-2 = CaUO2(CO3)3-2 + log_k 27.180 #06DON/BRO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.718E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 1.000CO3-2 = Cd(CO3) + log_k 4.700 #91RAI/FEL + delta_h 4.299 #kJ/mol + # Enthalpy of formation: -746.851 #kJ/mol + -analytic 5.45315E+0 0E+0 -2.24552E+2 0E+0 0E+0 + +1.000Cd+2 + 2.000CO3-2 = Cd(CO3)2-2 + log_k 6.500 #91RAI/FEL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 1.000Cn- = Cd(Cn)+ + log_k 5.300 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.3E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 2.000Cn- = Cd(Cn)2 + log_k 10.340 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.034E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 3.000Cn- = Cd(Cn)3- + log_k 14.810 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.481E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 4.000Cn- = Cd(Cn)4-2 + log_k 18.250 + delta_h -98.480 #kJ/mol + # Enthalpy of formation: 428.096 #kJ/mol + -analytic 9.9707E-1 0E+0 5.14396E+3 0E+0 0E+0 + +1.000Cd+2 + 1.000H2(PO4)- = Cd(H2PO4)+ + log_k 1.800 #01AYA/MAD + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 1.000H+ + 1.000CO3-2 = Cd(HCO3)+ + log_k 11.830 #93STI/PAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.183E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 2.000HS- = Cd(HS)2 + log_k 14.430 #99WAN/TES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.443E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 1.000NH3 = Cd(NH3)+2 + log_k 2.520 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.52E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 2.000NH3 = Cd(NH3)2+2 + log_k 4.870 + delta_h -27.965 #kJ/mol + # Enthalpy of formation: -266.225 #kJ/mol + -analytic -2.92505E-2 0E+0 1.46071E+3 0E+0 0E+0 + +1.000Cd+2 + 3.000NH3 = Cd(NH3)3+2 + log_k 5.930 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 4.000NH3 = Cd(NH3)4+2 + log_k 7.300 + delta_h -49.714 #kJ/mol + # Enthalpy of formation: -450.314 #kJ/mol + -analytic -1.40951E+0 0E+0 2.59674E+3 0E+0 0E+0 + +1.000Cd+2 + 1.000NO3- = Cd(NO3)+ + log_k 0.460 #74FED/ROB in 82H¿G + delta_h -21.757 #kJ/mol #74NAU/RYZ in 91BAL/NOR + # Enthalpy of formation: -304.527 #kJ/mol + -analytic -3.35166E+0 0E+0 1.13645E+3 0E+0 0E+0 + +1.000Cd+2 + 2.000NO3- = Cd(NO3)2 + log_k 0.170 #97CRO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.7E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 - 1.000H+ + 1.000H2O = Cd(OH)+ + log_k -10.080 #81BAE/MES + delta_h 54.810 #kJ/mol #81BAE/MES + # Enthalpy of formation: -306.94 #kJ/mol + -analytic -4.77714E-1 0E+0 -2.86292E+3 0E+0 0E+0 + +1.000Cd+2 - 2.000H+ + 2.000H2O = Cd(OH)2 + log_k -20.900 #91RAI/FEL + delta_h 114.900 #kJ/mol + # Enthalpy of formation: -532.68 #kJ/mol + -analytic -7.70414E-1 0E+0 -6.00164E+3 0E+0 0E+0 + +1.000Cd+2 - 3.000H+ + 3.000H2O = Cd(OH)3- + log_k -33.300 #81BAE/MES + delta_h 156.416 #kJ/mol + # Enthalpy of formation: -776.994 #kJ/mol + -analytic -5.89713E+0 0E+0 -8.17016E+3 0E+0 0E+0 + +1.000Cd+2 - 4.000H+ + 4.000H2O = Cd(OH)4-2 + log_k -47.480 #91RAI/FEL + delta_h 229.571 #kJ/mol + # Enthalpy of formation: -989.669 #kJ/mol + -analytic -7.26095E+0 0E+0 -1.19913E+4 0E+0 0E+0 + +1.000Cd+2 + 1.000Pyrophos-4 = Cd(Pyrophos)-2 + log_k 8.700 #92CLE/JOH + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.7E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 1.000S2O3-2 = Cd(S2O3) + log_k 2.460 + delta_h 5.405 #kJ/mol + # Enthalpy of formation: -722.801 #kJ/mol #74NAU/RYZ + -analytic 3.40691E+0 0E+0 -2.82322E+2 0E+0 0E+0 + +1.000Cd+2 + 1.000SO4-2 = Cd(SO4) + log_k 2.370 #97MAR/SMI + delta_h 8.700 #kJ/mol #97MAR/SMI + # Enthalpy of formation: -976.56 #kJ/mol + -analytic 3.89417E+0 0E+0 -4.54432E+2 0E+0 0E+0 + +1.000Cd+2 + 2.000SO4-2 = Cd(SO4)2-2 + log_k 3.440 #76SMI/MAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.44E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Cd(SeCn)+ + log_k 58.260 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.826E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Cd(SeCn)2 + log_k 115.370 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.1537E+2 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 3.000H+ + 3.000Cn- + 3.000HSe- - 3.000H2O + 1.500O2 = Cd(SeCn)3- + log_k 171.860 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.7186E+2 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 4.000H+ + 4.000Cn- + 4.000HSe- - 4.000H2O + 2.000O2 = Cd(SeCn)4-2 + log_k 228.670 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.2867E+2 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 1.000SeO4-2 = Cd(SeO4) + log_k 2.270 #05OLI/NOL + delta_h 8.300 #kJ/mol #05OLI/NOL + # Enthalpy of formation: -671.12 #kJ/mol + -analytic 3.7241E+0 0E+0 -4.33539E+2 0E+0 0E+0 + +4.000Cd+2 - 4.000H+ + 4.000H2O = Cd4(OH)4+4 + log_k -32.070 + delta_h 172.135 #kJ/mol + # Enthalpy of formation: -1274.865 #kJ/mol #99YUN/GLU + -analytic -1.91329E+0 0E+0 -8.99122E+3 0E+0 0E+0 + +1.000Cd+2 + 1.000Br- = CdBr+ + log_k 2.160 + delta_h -7.959 #kJ/mol + # Enthalpy of formation: -205.289 #kJ/mol + -analytic 7.65645E-1 0E+0 4.15727E+2 0E+0 0E+0 + +1.000Cd+2 + 2.000Br- = CdBr2 + log_k 2.920 + delta_h -15.742 #kJ/mol + # Enthalpy of formation: -334.482 #kJ/mol + -analytic 1.62124E-1 0E+0 8.22261E+2 0E+0 0E+0 + +1.000Cd+2 + 3.000Br- = CdBr3- + log_k 3.190 + delta_h -28.845 #kJ/mol + # Enthalpy of formation: -468.995 #kJ/mol + -analytic -1.86342E+0 0E+0 1.50668E+3 0E+0 0E+0 + +1.000Cd+2 + 1.000Cl- = CdCl+ + log_k 1.970 #76BAE/MES + delta_h -5.520 #kJ/mol + # Enthalpy of formation: -248.52 #kJ/mol + -analytic 1.00294E+0 0E+0 2.88329E+2 0E+0 0E+0 + +1.000Cd+2 + 2.000Cl- = CdCl2 + log_k 2.590 #76BAE/MES + delta_h -14.068 #kJ/mol + # Enthalpy of formation: -424.148 #kJ/mol + -analytic 1.25396E-1 0E+0 7.34822E+2 0E+0 0E+0 + +1.000Cd+2 + 3.000Cl- = CdCl3- + log_k 2.400 #76BAE/MES + delta_h -25.804 #kJ/mol + # Enthalpy of formation: -602.964 #kJ/mol + -analytic -2.12066E+0 0E+0 1.34783E+3 0E+0 0E+0 + +1.000Cd+2 + 4.000Cl- = CdCl4-2 + log_k 1.470 #76BAE/MES + delta_h -44.765 #kJ/mol + # Enthalpy of formation: -789.005 #kJ/mol + -analytic -6.37248E+0 0E+0 2.33824E+3 0E+0 0E+0 + +1.000Cd+2 - 1.000H+ + 1.000H2(PO4)- = CdHPO4 + log_k -2.380 #01AYA/MAD + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.38E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 1.000HS- = CdHS+ + log_k 7.380 #99WAN/TES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7.38E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cd+2 + 1.000I- = CdI+ + log_k 2.090 + delta_h -8.739 #kJ/mol + # Enthalpy of formation: -141.439 #kJ/mol + -analytic 5.58995E-1 0E+0 4.56469E+2 0E+0 0E+0 + +1.000Cd+2 + 2.000I- = CdI2 + log_k 3.520 + delta_h -18.988 #kJ/mol + # Enthalpy of formation: -208.468 #kJ/mol + -analytic 1.9345E-1 0E+0 9.91811E+2 0E+0 0E+0 + +1.000Cd+2 + 3.000I- = CdI3- + log_k 4.640 + delta_h -38.647 #kJ/mol + # Enthalpy of formation: -284.907 #kJ/mol + -analytic -2.13065E+0 0E+0 2.01867E+3 0E+0 0E+0 + +1.000Cd+2 + 4.000I- = CdI4-2 + log_k 5.480 + delta_h -75.609 #kJ/mol + # Enthalpy of formation: -378.649 #kJ/mol + -analytic -7.76611E+0 0E+0 3.94933E+3 0E+0 0E+0 + +2.000Cl- - 1.000H2O + 2.000H+ + 0.500O2 = Cl2 + log_k -4.220 + delta_h 30.997 #kJ/mol + # Enthalpy of formation: -23.4 #kJ/mol #82WAG/EVA + -analytic 1.21043E+0 0E+0 -1.61908E+3 0E+0 0E+0 + +1.000Cl- + 2.000O2 = ClO4- + log_k -16.130 + delta_h 63.248 #kJ/mol + # Enthalpy of formation: -128.1 #kJ/mol #89COX/WAG + -analytic -5.04944E+0 0E+0 -3.30367E+3 0E+0 0E+0 + +1.000Cm+3 + 1.000Acetate- = Cm(Acetate)+2 + log_k 3.010 #11RIC/GRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.01E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cm+3 + 2.000Acetate- = Cm(Acetate)2+ + log_k 4.960 #12GRI/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.96E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cm+3 + 3.000Acetate- = Cm(Acetate)3 + log_k 6.300 #69MOS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.3E+0 0E+0 0E+0 0E+0 0E+0 + +2.000CO3-2 + 1.000Cm+3 = Cm(CO3)2- + log_k 12.600 #06DUR/CER + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0 + +3.000CO3-2 + 1.000Cm+3 = Cm(CO3)3-3 + log_k 14.600 #06DUR/CER + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0 + +1.000H2(PO4)- + 1.000Cm+3 = Cm(H2PO4)+2 + log_k 2.400 #estimated by correlation with Ln(III) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000H2(PO4)- + 1.000Cm+3 = Cm(HPO4)+ + log_k -1.700 #estimated by correlation with Ln(III) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.7E+0 0E+0 0E+0 0E+0 0E+0 + +- 2.000H+ + 2.000H2(PO4)- + 1.000Cm+3 = Cm(HPO4)2- + log_k -5.210 #estimated by correlation with Ln(III) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.21E+0 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000Cm+3 + 1.000H2O = Cm(OH)+2 + log_k -7.200 #03GUI/FAN + delta_h 79.365 #kJ/mol + # Enthalpy of formation: -821.465 #kJ/mol + -analytic 6.70413E+0 0E+0 -4.14552E+3 0E+0 0E+0 + +- 2.000H+ + 1.000Cm+3 + 2.000H2O = Cm(OH)2+ + log_k -15.100 #03GUI/FAN + delta_h 144.956 #kJ/mol + # Enthalpy of formation: -1041.704 #kJ/mol + -analytic 1.02952E+1 0E+0 -7.57157E+3 0E+0 0E+0 + +- 3.000H+ + 1.000Cm+3 + 3.000H2O = Cm(OH)3 + log_k -26.200 #03GUI/FAN + delta_h 231.675 #kJ/mol + # Enthalpy of formation: -1240.815 #kJ/mol + -analytic 1.43877E+1 0E+0 -1.21012E+4 0E+0 0E+0 + +- 4.000H+ + 1.000Cm+3 + 4.000H2O = Cm(OH)4- + log_k -40.700 #07NEC/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.07E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ox-2 + 1.000Cm+3 = Cm(Ox)+ + log_k 6.480 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.48E+0 0E+0 0E+0 0E+0 0E+0 + +2.000Ox-2 + 1.000Cm+3 = Cm(Ox)2- + log_k 10.400 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.04E+1 0E+0 0E+0 0E+0 0E+0 + +3.000Ox-2 + 1.000Cm+3 = Cm(Ox)3-3 + log_k 12.840 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.284E+1 0E+0 0E+0 0E+0 0E+0 + +- 4.000H+ + 2.000H2(PO4)- + 1.000Cm+3 = Cm(PO4)2-3 + log_k -19.230 #estimated by corrlation with Ln(III) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.923E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Cm+3 + 1.000Phthalat-2 = Cm(Phthalat)+ + log_k 4.930 #11GRI/COL from 95PAN/KLE + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.93E+0 0E+0 0E+0 0E+0 0E+0 + +2.000SO4-2 + 1.000Cm+3 = Cm(SO4)2- + log_k 4.570 #12SKE/PAN, same as Am, revised in the 2012 update. + delta_h 20.880 #kJ/mol + # Enthalpy of formation: -2412.8 #kJ/mol #estimated by analogy with Ln + -analytic 8.22801E+0 0E+0 -1.09064E+3 0E+0 0E+0 + +1.000CO3-2 + 1.000Cm+3 = CmCO3+ + log_k 7.900 #06DUR/CER + delta_h 153.982 #kJ/mol + # Enthalpy of formation: -1136.248 #kJ/mol + -analytic 3.48764E+1 0E+0 -8.04303E+3 0E+0 0E+0 + +1.000Cl- + 1.000Cm+3 = CmCl+2 + log_k 0.240 #03GUI/FAN, same as Am + delta_h 22.512 #kJ/mol + # Enthalpy of formation: -759.568 #kJ/mol + -analytic 4.18393E+0 0E+0 -1.17588E+3 0E+0 0E+0 + +2.000Cl- + 1.000Cm+3 = CmCl2+ + log_k -0.740 #03GUI/FAN, same as Am + delta_h 41.165 #kJ/mol + # Enthalpy of formation: -907.995 #kJ/mol + -analytic 6.47179E+0 0E+0 -2.15019E+3 0E+0 0E+0 + +1.000F- + 1.000Cm+3 = CmF+2 + log_k 3.400 #03GUI/FAN, same as Am + delta_h 25.613 #kJ/mol + # Enthalpy of formation: -924.737 #kJ/mol + -analytic 7.8872E+0 0E+0 -1.33786E+3 0E+0 0E+0 + +2.000F- + 1.000Cm+3 = CmF2+ + log_k 5.800 #03GUI/FAN, same as Am + delta_h 20.620 #kJ/mol + # Enthalpy of formation: -1265.08 #kJ/mol + -analytic 9.41246E+0 0E+0 -1.07706E+3 0E+0 0E+0 + +3.000F- + 1.000Cm+3 = CmF3 + log_k 11.180 #69AZI/LYL + delta_h -15.485 #kJ/mol + # Enthalpy of formation: -1636.535 #kJ/mol + -analytic 8.46715E+0 0E+0 8.08837E+2 0E+0 0E+0 + +1.000H+ + 1.000CO3-2 + 1.000Cm+3 = CmHCO3+2 + log_k 13.430 #03GUI/FAN, same as Am + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.343E+1 0E+0 0E+0 0E+0 0E+0 + +1.000NO3- + 1.000Cm+3 = CmNO3+2 + log_k 1.330 #95SIL/BID + delta_h 1.800 #kJ/mol #09SKE/PAN + # Enthalpy of formation: -819.926 #kJ/mol + -analytic 1.64535E+0 0E+0 -9.40204E+1 0E+0 0E+0 + +- 2.000H+ + 1.000H2(PO4)- + 1.000Cm+3 = CmPO4 + log_k -7.660 #estimated by correlation with Ln(III) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7.66E+0 0E+0 0E+0 0E+0 0E+0 + +1.000SO4-2 + 1.000Cm+3 = CmSO4+ + log_k 3.450 #12SKE/PAN, same as Am, revised in the 2012 update. + delta_h 15.640 #kJ/mol + # Enthalpy of formation: -1508.7 #kJ/mol #estimated by analogy with Ln + -analytic 6.19001E+0 0E+0 -8.16933E+2 0E+0 0E+0 + +- 1.000H+ + 1.000H4(SiO4) + 1.000Cm+3 = CmSiO(OH)3+2 + log_k -2.310 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.31E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Co+2 + 2.000HS- = Co(HS)2 + log_k 8.770 #66KHO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.77E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Co+2 - 1.000H+ + 1.000H2O = Co(OH)+ + log_k -9.230 #98PLY/ZHA + delta_h 45.962 #kJ/mol + # Enthalpy of formation: -297.468 #kJ/mol + -analytic -1.17782E+0 0E+0 -2.40076E+3 0E+0 0E+0 + +1.000Co+2 - 2.000H+ + 2.000H2O = Co(OH)2 + log_k -18.600 #98PLY/ZHA + delta_h 105.707 #kJ/mol + # Enthalpy of formation: -523.553 #kJ/mol + -analytic -8.09557E-2 0E+0 -5.52145E+3 0E+0 0E+0 + +1.000Co+2 - 3.000H+ + 3.000H2O = Co(OH)3- + log_k -31.700 #98PLY/ZHA + delta_h 160.297 #kJ/mol + # Enthalpy of formation: -754.792 #kJ/mol + -analytic -3.61721E+0 0E+0 -8.37288E+3 0E+0 0E+0 + +1.000Co+2 - 4.000H+ + 4.000H2O = Co(OH)4-2 + log_k -46.420 #98PLY/ZHA + delta_h 214.483 #kJ/mol + # Enthalpy of formation: -986.436 #kJ/mol + -analytic -8.84425E+0 0E+0 -1.12032E+4 0E+0 0E+0 + +1.000Co+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Co(SeCn)+ + log_k 57.520 #75SAT/SAH + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.752E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Co+2 + 1.000SeO4-2 = Co(SeO4) + log_k 2.700 #05OLI/NOL + delta_h -3.654 #kJ/mol + # Enthalpy of formation: -664.754 #kJ/mol + -analytic 2.05985E+0 0E+0 1.90861E+2 0E+0 0E+0 + +2.000Co+2 - 1.000H+ + 1.000H2O = Co2(OH)+3 + log_k -9.830 #98PLY/ZHA + delta_h 30.030 #kJ/mol + # Enthalpy of formation: -371 #kJ/mol #98PLY/ZHA + -analytic -4.56898E+0 0E+0 -1.56857E+3 0E+0 0E+0 + +4.000Co+2 - 4.000H+ + 4.000H2O = Co4(OH)4+4 + log_k -29.880 #98PLY/ZHA + delta_h 149.720 #kJ/mol + # Enthalpy of formation: -1224 #kJ/mol #98PLY/ZHA + -analytic -3.65022E+0 0E+0 -7.82041E+3 0E+0 0E+0 + +1.000Co+2 + 1.000CO3-2 = CoCO3 + log_k 4.230 #97MAR/SMI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.23E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Co+2 + 1.000Cl- = CoCl+ + log_k 0.570 #81TUR/WHI + delta_h -2.180 #kJ/mol + # Enthalpy of formation: -226.859 #kJ/mol + -analytic 1.88081E-1 0E+0 1.13869E+2 0E+0 0E+0 + +1.000Co+2 + 2.000Cl- = CoCl2 + log_k 0.020 #06BLA/ING + delta_h 4.074 #kJ/mol #06BLA/ING + # Enthalpy of formation: -387.686 #kJ/mol + -analytic 7.33733E-1 0E+0 -2.128E+2 0E+0 0E+0 + +1.000Co+2 + 3.000Cl- = CoCl3- + log_k -1.710 #06BLA/ING + delta_h 6.688 #kJ/mol #06BLA/ING + # Enthalpy of formation: -552.152 #kJ/mol + -analytic -5.38314E-1 0E+0 -3.49338E+2 0E+0 0E+0 + +1.000Co+2 + 4.000Cl- = CoCl4-2 + log_k -2.090 #06BLA/ING + delta_h 22.570 #kJ/mol #06BLA/ING + # Enthalpy of formation: -703.35 #kJ/mol + -analytic 1.86409E+0 0E+0 -1.17891E+3 0E+0 0E+0 + +1.000Co+2 + 1.000F- = CoF+ + log_k 1.500 #97MAR/SMI + delta_h -0.631 #kJ/mol + # Enthalpy of formation: -393.581 #kJ/mol + -analytic 1.38945E+0 0E+0 3.29594E+1 0E+0 0E+0 + +1.000Co+2 + 1.000H+ + 1.000CO3-2 = CoHCO3+ + log_k 12.220 #97MAR/SMI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.222E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Co+2 - 1.000H+ + 1.000H2(PO4)- = CoHPO4 + log_k -4.150 #97MAR/SMI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.15E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Co+2 + 1.000HS- = CoHS+ + log_k 5.670 #66KHO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.67E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Co+2 + 1.000S2O3-2 = CoS2O3 + log_k 2.050 #51DEN/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.05E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Co+2 + 1.000SO4-2 = CoSO4 + log_k 2.300 #97MAR/SMI + delta_h 2.092 #kJ/mol #74NAU/RYZ + # Enthalpy of formation: -964.848 #kJ/mol + -analytic 2.6665E+0 0E+0 -1.09273E+2 0E+0 0E+0 + +1.000H2(PO4)- + 1.000Cr+3 = Cr(H2PO4)+2 + log_k 2.560 #66LAH/ADI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.56E+0 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000H2(PO4)- + 1.000Cr+3 = Cr(HPO4)+ + log_k 2.250 #76ALE/MAS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.25E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cr+3 + 2.000CO3-2 + 1.000H2O - 1.000H+ = Cr(OH)(CO3)2-2 + log_k 9.730 #07RAI/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.73E+0 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000Cr+2 + 1.000H2O = Cr(OH)+ + log_k -5.300 #83MIC/DEB, 04CHI + delta_h 30.327 #kJ/mol + # Enthalpy of formation: -413.123 #kJ/mol + -analytic 1.30545E-2 0E+0 -1.58409E+3 0E+0 0E+0 + +- 1.000H+ + 1.000Cr+3 + 1.000H2O = Cr(OH)+2 + log_k -3.420 #04RAI/MOO + delta_h 37.165 #kJ/mol + # Enthalpy of formation: -489.164 #kJ/mol + -analytic 3.09102E+0 0E+0 -1.94126E+3 0E+0 0E+0 + +- 2.000H+ + 1.000Cr+3 + 2.000H2O = Cr(OH)2+ + log_k -8.900 #11GRI/COL + delta_h 93.201 #kJ/mol + # Enthalpy of formation: -718.958 #kJ/mol + -analytic 7.42809E+0 0E+0 -4.86822E+3 0E+0 0E+0 + +- 3.000H+ + 1.000Cr+3 + 3.000H2O = Cr(OH)3 + log_k -14.340 #04RAI/MOO + delta_h 143.689 #kJ/mol + # Enthalpy of formation: -954.3 #kJ/mol + -analytic 1.08332E+1 0E+0 -7.50539E+3 0E+0 0E+0 + +- 3.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(H2PO4)- + log_k -11.560 #04RAI/MOO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.156E+1 0E+0 0E+0 0E+0 0E+0 + +2.000H2(PO4)- + 1.000Cr+3 + 3.000H2O - 3.000H+ = Cr(OH)3(H2PO4)2-2 + log_k -10.860 #04RAI/MOO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.086E+1 0E+0 0E+0 0E+0 0E+0 + +- 4.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(HPO4)-2 + log_k -19.580 #04RAI/MOO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.958E+1 0E+0 0E+0 0E+0 0E+0 + +- 5.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(PO4)-3 + log_k -30.240 #98ZIE/JON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.024E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Cr+3 + 1.000CO3-2 + 4.000H2O - 4.000H+ = Cr(OH)4(CO3)-3 + log_k -25.690 #07RAI/MOO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.569E+1 0E+0 0E+0 0E+0 0E+0 + +- 5.000H+ + 2.000H2(PO4)- + 1.000Cr+3 + 4.000H2O = Cr(OH)4(HPO4)(H2PO4)-4 + log_k -28.760 #98ZIE/JON + delta_h 14.000 #kJ/mol #98ZIE/JON + # Enthalpy of formation: -3975.04 #kJ/mol + -analytic -2.63073E+1 0E+0 -7.3127E+2 0E+0 0E+0 + +- 4.000H+ + 1.000Cr+3 + 4.000H2O = Cr(OH)4- + log_k -25.860 #04RAI/MOO + delta_h 193.604 #kJ/mol + # Enthalpy of formation: -1190.214 #kJ/mol + -analytic 8.05792E+0 0E+0 -1.01126E+4 0E+0 0E+0 + +1.000Cr+3 + 1.000CO3-2 + 1.000H2O - 1.000H+ = Cr(OH)CO3 + log_k 4.000 #07RAI/MOO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4E+0 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 2.000Cl- + 1.000Cr+3 + 1.000H2O = Cr(OH)Cl2 + log_k -5.730 + delta_h 32.720 #kJ/mol + # Enthalpy of formation: -827.77 #kJ/mol #76DEL/HEP + -analytic 2.28952E-3 0E+0 -1.70908E+3 0E+0 0E+0 + +- 2.000H+ + 2.000Cr+3 + 2.000H2O = Cr2(OH)2+4 + log_k -4.000 #11GRI/COL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4E+0 0E+0 0E+0 0E+0 0E+0 + +2.000H+ + 2.000CrO4-2 - 1.000H2O = Cr2O7-2 + log_k 14.750 #87PAL/WES, 04CHI + delta_h -3.752 #kJ/mol + # Enthalpy of formation: -1475.923 #kJ/mol + -analytic 1.40927E+1 0E+0 1.9598E+2 0E+0 0E+0 + +- 4.000H+ + 3.000Cr+3 + 4.000H2O = Cr3(OH)4+5 + log_k -7.600 #11GRI/COL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7.6E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Br- + 1.000Cr+3 = CrBr+2 + log_k -0.620 + delta_h 22.600 #kJ/mol + # Enthalpy of formation: -339.322 #kJ/mol #76DEL/HEP + -analytic 3.33934E+0 0E+0 -1.18048E+3 0E+0 0E+0 + +1.000Cl- + 1.000Cr+2 = CrCl+ + log_k 5.600 #91ALL/BRO + delta_h -20.200 #kJ/mol #91ALL/BRO + # Enthalpy of formation: -344.9 #kJ/mol + -analytic 2.06112E+0 0E+0 1.05512E+3 0E+0 0E+0 + +1.000Cl- + 1.000Cr+3 = CrCl+2 + log_k 0.620 #64SIL/MAR + delta_h 20.920 #kJ/mol #64SIL/MAR + # Enthalpy of formation: -386.66 #kJ/mol + -analytic 4.28502E+0 0E+0 -1.09273E+3 0E+0 0E+0 + +2.000Cl- + 1.000Cr+3 = CrCl2+ + log_k -0.710 #64SIL/MAR + delta_h 20.920 #kJ/mol #64SIL/MAR + # Enthalpy of formation: -553.74 #kJ/mol + -analytic 2.95502E+0 0E+0 -1.09273E+3 0E+0 0E+0 + +1.000F- + 1.000Cr+3 = CrF+2 + log_k 5.210 #81TUR/WHI + delta_h -2.510 #kJ/mol #53HEP/JOL + # Enthalpy of formation: -578.36 #kJ/mol + -analytic 4.77027E+0 0E+0 1.31106E+2 0E+0 0E+0 + +2.000F- + 1.000Cr+3 = CrF2+ + log_k 9.310 #81TUR/WHI + delta_h -0.418 #kJ/mol #53HEP/JOL + # Enthalpy of formation: -911.618 #kJ/mol + -analytic 9.23677E+0 0E+0 2.18336E+1 0E+0 0E+0 + +3.000F- + 1.000Cr+3 = CrF3 + log_k 11.910 #81TUR/WHI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.191E+1 0E+0 0E+0 0E+0 0E+0 + +2.000H+ + 1.000Cl- + 1.000CrO4-2 - 1.000H2O = CrO3Cl- + log_k 8.080 + delta_h 5.500 #kJ/mol + # Enthalpy of formation: -754.8 #kJ/mol #76DEL/HEP + -analytic 9.04356E+0 0E+0 -2.87285E+2 0E+0 0E+0 + +1.000SO4-2 + 1.000Cr+3 = CrSO4+ + log_k 4.610 #81TUR/WHI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.61E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cs+ + 1.000Cit-3 = Cs(Cit)-2 + log_k 0.980 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.8E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Cs+ + 1.000Edta-4 = Cs(Edta)-3 + log_k 1.300 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cs+ + 1.000Nta-3 = Cs(Nta)-2 + log_k 0.850 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.5E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Cs+ - 1.000H+ + 1.000H2O = Cs(OH) + log_k -15.640 + delta_h 65.736 #kJ/mol + # Enthalpy of formation: -478.094 #kJ/mol #97SHO/SAS + -analytic -4.12356E+0 0E+0 -3.43363E+3 0E+0 0E+0 + +1.000Cs+ + 1.000Br- = CsBr + log_k 0.090 + delta_h 5.922 #kJ/mol + # Enthalpy of formation: -373.488 #kJ/mol + -analytic 1.12749E+0 0E+0 -3.09327E+2 0E+0 0E+0 + +1.000Cs+ + 1.000Cl- = CsCl + log_k -0.090 + delta_h 7.523 #kJ/mol + # Enthalpy of formation: -417.557 #kJ/mol + -analytic 1.22797E+0 0E+0 -3.92953E+2 0E+0 0E+0 + +1.000Cs+ + 1.000F- = CsF + log_k -0.380 + delta_h 2.446 #kJ/mol + # Enthalpy of formation: -590.904 #kJ/mol + -analytic 4.85202E-2 0E+0 -1.27763E+2 0E+0 0E+0 + +1.000Cs+ + 1.000I- = CsI + log_k 1.050 + delta_h -0.055 #kJ/mol + # Enthalpy of formation: -314.835 #kJ/mol + -analytic 1.04036E+0 0E+0 2.87285E+0 0E+0 0E+0 + +1.000Cu+2 + 1.000B(OH)4- = Cu(B(OH)4)+ + log_k 7.130 #80BAS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7.13E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Cu+2 + 2.000B(OH)4- = Cu(B(OH)4)2 + log_k 12.450 #80BAS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.245E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Cu+2 + 3.000B(OH)4- = Cu(B(OH)4)3- + log_k 15.170 #80BAS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.517E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Cu+2 + 1.000SeO4-2 = Cu(SeO4) + log_k 2.200 #Upper value suggested in 05OLI/NOL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 + 1.000Acetate- = Eu(Acetate)+2 + log_k 2.900 #12GRI/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 + 2.000Acetate- = Eu(Acetate)2+ + log_k 4.800 #12GRI/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.8E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 + 3.000Acetate- = Eu(Acetate)3 + log_k 5.600 #12GRI/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.6E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 + 1.000CO3-2 = Eu(CO3)+ + log_k 7.900 #95SPA/BRU + delta_h 167.549 #kJ/mol + # Enthalpy of formation: -1113.013 #kJ/mol + -analytic 3.72533E+1 0E+0 -8.75168E+3 0E+0 0E+0 + +1.000Eu+3 + 2.000CO3-2 = Eu(CO3)2- + log_k 12.900 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 + 3.000CO3-2 = Eu(CO3)3-3 + log_k 14.800 #05VER/VIT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 + 1.000H2(PO4)- = Eu(H2PO4)+2 + log_k 2.400 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 + 1.000H+ + 1.000CO3-2 = Eu(HCO3)+2 + log_k 12.430 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.243E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 - 1.000H+ + 1.000H2(PO4)- = Eu(HPO4)+ + log_k -1.510 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.51E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 - 2.000H+ + 2.000H2(PO4)- = Eu(HPO4)2- + log_k -4.820 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.82E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 + log_k 1.210 #09RAO/TIA (Calculated usig SIT) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 - 1.000H+ + 1.000H2O = Eu(OH)+2 + log_k -7.800 #95SPA/BRU + delta_h 79.824 #kJ/mol + # Enthalpy of formation: -811.337 #kJ/mol + -analytic 6.18454E+0 0E+0 -4.16949E+3 0E+0 0E+0 + +1.000Eu+3 - 2.000H+ + 2.000H2O = Eu(OH)2+ + log_k -15.700 #07NEC/ALT + delta_h 144.521 #kJ/mol + # Enthalpy of formation: -1032.471 #kJ/mol + -analytic 9.61896E+0 0E+0 -7.54885E+3 0E+0 0E+0 + +1.000Eu+3 - 3.000H+ + 3.000H2O = Eu(OH)3 + log_k -26.200 #07NEC/ALT + delta_h 226.860 #kJ/mol + # Enthalpy of formation: -1235.961 #kJ/mol + -analytic 1.35441E+1 0E+0 -1.18497E+4 0E+0 0E+0 + +1.000HIsa- + 1.000Eu+3 + 3.000H2O - 3.000H+ = Eu(OH)3(HIsa)- + log_k -20.900 #05TIT/WIE + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.09E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 - 4.000H+ + 4.000H2O = Eu(OH)4- + log_k -40.700 #07NEC/ALT + delta_h 296.791 #kJ/mol + # Enthalpy of formation: -1451.86 #kJ/mol + -analytic 1.12955E+1 0E+0 -1.55025E+4 0E+0 0E+0 + +1.000Eu+3 + 1.000Ox-2 = Eu(Ox)+ + log_k 6.550 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.55E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 + 2.000Ox-2 = Eu(Ox)2- + log_k 10.930 # Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.093E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 + 3.000Ox-2 = Eu(Ox)3-3 + log_k 12.480 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.248E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- = Eu(PO4) + log_k -7.360 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7.36E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 - 4.000H+ + 2.000H2(PO4)- = Eu(PO4)2-3 + log_k -18.460 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.846E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 + 1.000Phthalat-2 = Eu(Phthalat)+ + log_k 4.960 #11GRI/COL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.96E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 + 2.000Phthalat-2 = Eu(Phthalat)2- + log_k 7.340 #11GRI/COL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7.34E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Eu+3 + 1.000SO4-2 = Eu(SO4)+ + log_k 3.500 #95SPA/BRU + delta_h 15.577 #kJ/mol + # Enthalpy of formation: -1499.094 #kJ/mol + -analytic 6.22897E+0 0E+0 -8.13642E+2 0E+0 0E+0 + +1.000Eu+3 + 2.000SO4-2 = Eu(SO4)2- + log_k 5.200 #95SPA/BRU + delta_h 27.787 #kJ/mol + # Enthalpy of formation: -2396.224 #kJ/mol + -analytic 1.00681E+1 0E+0 -1.45141E+3 0E+0 0E+0 + +1.000Eu+3 + 1.000Br- = EuBr+2 + log_k 0.250 #95SPA/BRU + delta_h 16.223 #kJ/mol + # Enthalpy of formation: -710.518 #kJ/mol + -analytic 3.09214E+0 0E+0 -8.47385E+2 0E+0 0E+0 + +1.000Eu+3 + 2.000Br- = EuBr2+ + log_k -0.090 #95SPA/BRU + delta_h 26.498 #kJ/mol + # Enthalpy of formation: -821.653 #kJ/mol + -analytic 4.55224E+0 0E+0 -1.38408E+3 0E+0 0E+0 + +1.000Eu+3 + 1.000Cl- = EuCl+2 + log_k 0.760 #Original data 01LUO/BYR and 04LUO/BYR + delta_h 21.929 #kJ/mol + # Enthalpy of formation: -750.482 #kJ/mol + -analytic 4.60179E+0 0E+0 -1.14543E+3 0E+0 0E+0 + +1.000Eu+3 + 2.000Cl- = EuCl2+ + log_k -0.050 #95SPA/BRU + delta_h 35.334 #kJ/mol + # Enthalpy of formation: -904.158 #kJ/mol + -analytic 6.14024E+0 0E+0 -1.84562E+3 0E+0 0E+0 + +1.000Eu+3 + 1.000F- = EuF+2 + log_k 4.330 #07LUO/BYR + delta_h 24.956 #kJ/mol + # Enthalpy of formation: -915.725 #kJ/mol + -analytic 8.7021E+0 0E+0 -1.30354E+3 0E+0 0E+0 + +1.000Eu+3 + 2.000F- = EuF2+ + log_k 6.550 #Original data from 99SCH/BYR and 04LUO/BYR + delta_h 21.483 #kJ/mol + # Enthalpy of formation: -1254.548 #kJ/mol + -analytic 1.03137E+1 0E+0 -1.12213E+3 0E+0 0E+0 + +1.000Eu+3 + 3.000F- = EuF3 + log_k 10.600 #95SPA/BRU + delta_h -8.343 #kJ/mol + # Enthalpy of formation: -1619.724 #kJ/mol + -analytic 9.13837E+0 0E+0 4.35785E+2 0E+0 0E+0 + +1.000Eu+3 - 1.000H+ + 1.000H4(SiO4) = EuSiO(OH)3+2 + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000B(OH)4- = Fe(B(OH)4)+2 + log_k 8.580 #80BAS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.58E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 2.000B(OH)4- = Fe(B(OH)4)2+ + log_k 15.540 #80BAS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.554E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 1.000CO3-2 = Fe(CO3) + log_k 5.690 #99CHIb + delta_h -5.764 #kJ/mol + # Enthalpy of formation: -770.994 #kJ/mol + -analytic 4.68019E+0 0E+0 3.01074E+2 0E+0 0E+0 + +1.000Fe+2 + 2.000CO3-2 = Fe(CO3)2-2 + log_k 7.450 #98KIN in 99CHIb + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7.45E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 3.000CO3-2 = Fe(CO3)3-3 + log_k 24.240 #05GRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.424E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000Cit-3 = Fe(Cit) + log_k 12.650 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.265E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Fe(Cit)(OH)- + log_k 10.330 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.033E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 1.000Cit-3 = Fe(Cit)- + log_k 6.100 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.1E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 - 2.000H+ + 2.000Cit-3 + 2.000H2O = Fe(Cit)2(OH)2-5 + log_k 3.440 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.44E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 2.000Cit-3 = Fe(Cit)2-3 + log_k 18.150 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.815E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 6.000Cn- = Fe(Cn)6-3 + log_k 43.600 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.36E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 6.000Cn- = Fe(Cn)6-4 + log_k 35.400 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.54E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000Edta-4 = Fe(Edta)- + log_k 27.700 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.77E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 1.000Edta-4 = Fe(Edta)-2 + log_k 16.020 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.602E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 2.000H+ + 1.000Cit-3 = Fe(H2Cit)+ + log_k 24.700 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.47E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 2.000H+ + 1.000Cit-3 = Fe(H2Cit)+2 + log_k 30.400 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.04E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 1.000H2(PO4)- = Fe(H2PO4)+ + log_k 2.690 #USGS original + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.69E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000H2(PO4)- = Fe(H2PO4)+2 + log_k 5.420 #USGS original + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.42E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 - 1.000H+ + 1.000H4(SiO4) = Fe(H3SiO4)+2 + log_k 0.360 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.6E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 1.000H+ + 1.000Cit-3 = Fe(HCit) + log_k 10.020 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.002E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000H+ + 2.000Cit-3 = Fe(HCit)(Cit)-2 + log_k 19.300 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.93E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000H+ + 1.000Cit-3 = Fe(HCit)+ + log_k 13.560 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.356E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 2.000H+ + 2.000Cit-3 = Fe(HCit)2- + log_k 24.920 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.492E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000H+ + 1.000Edta-4 = Fe(HEdta) + log_k 29.200 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.92E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 1.000H+ + 1.000Edta-4 = Fe(HEdta)- + log_k 18.300 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 1.000H+ + 1.000Nta-3 = Fe(HNta) + log_k 12.300 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.23E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000H+ + 1.000Ox-2 = Fe(HOx)+2 + log_k 9.300 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.3E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 - 1.000H+ + 1.000H2(PO4)- = Fe(HPO4) + log_k -3.610 #USGS original + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.61E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 - 1.000H+ + 1.000H2(PO4)- = Fe(HPO4)+ + log_k 1.630 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; S¿lection de donn¿es thermodynamiques aff¿rentes aux corrections de Temp¿rature sur les principaux ¿quilibres chimiques en milieu naturel + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.63E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 1.000HS- = Fe(HS)+ + log_k 4.340 #04CHI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.34E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 2.000HS- = Fe(HS)2 + log_k 6.450 #04CHI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.45E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 1.000H+ + 1.000SO4-2 = Fe(HSO4)+ + log_k 3.070 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.07E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000H+ + 1.000SeO3-2 = Fe(HSeO3)+2 + log_k 12.350 #01SEB/POT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.235E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 1.000NH3 = Fe(NH3)+2 + log_k 1.300 #82SCH + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 2.000NH3 = Fe(NH3)2+2 + log_k 2.100 #82SCH + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 4.000NH3 = Fe(NH3)4+2 + log_k 3.600 #82SCH + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.6E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000NO3- = Fe(NO3)+2 + log_k 0.950 #HATCHES 8.0 1996 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.5E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000Nta-3 = Fe(Nta) + log_k 18.600 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.86E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 1.000Nta-3 = Fe(Nta)- + log_k 10.600 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.06E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 2.000Nta-3 = Fe(Nta)2-3 + log_k 27.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.7E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 2.000Nta-3 = Fe(Nta)2-4 + log_k 13.500 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.35E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Fe(OH)(Cit)-2 + log_k 1.500 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Fe(OH)(Edta)-2 + log_k 20.840 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.084E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Fe(OH)(Edta)-3 + log_k 6.400 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.4E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Fe(OH)(Nta)- + log_k 14.600 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Fe(OH)(Nta)-2 + log_k -0.120 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.2E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 - 1.000H+ + 1.000H2O = Fe(OH)+ + log_k -9.500 #76BAE/MES in 99CHIa + delta_h 55.304 #kJ/mol + # Enthalpy of formation: -320.526 #kJ/mol + -analytic 1.88831E-1 0E+0 -2.88872E+3 0E+0 0E+0 + +1.000Fe+3 - 1.000H+ + 1.000H2O = Fe(OH)+2 + log_k -2.190 #76BAE/MES in 98CHI + delta_h 43.514 #kJ/mol + # Enthalpy of formation: -291.316 #kJ/mol + -analytic 5.43331E+0 0E+0 -2.27289E+3 0E+0 0E+0 + +1.000Fe+2 - 2.000H+ + 2.000H2O = Fe(OH)2 + log_k -20.600 #76BAE/MES in 99CHIa + delta_h 119.662 #kJ/mol + # Enthalpy of formation: -541.998 #kJ/mol + -analytic 3.63852E-1 0E+0 -6.25037E+3 0E+0 0E+0 + +1.000Fe+3 - 2.000H+ + 1.000Cit-3 + 2.000H2O = Fe(OH)2(Cit)-2 + log_k 2.900 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Fe(OH)2(Edta)-3 + log_k 10.060 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.006E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Fe(OH)2(Edta)-4 + log_k -4.400 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.4E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Fe(OH)2(Nta)-2 + log_k 6.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 - 2.000H+ + 2.000H2O = Fe(OH)2+ + log_k -5.670 #76BAE/MES in 98CHI + delta_h 71.546 #kJ/mol + # Enthalpy of formation: -549.114 #kJ/mol + -analytic 6.8643E+0 0E+0 -3.7371E+3 0E+0 0E+0 + +1.000Fe+3 - 3.000H+ + 3.000H2O = Fe(OH)3 + log_k -12.560 #91PEA/VER in 98CHI + delta_h 103.764 #kJ/mol + # Enthalpy of formation: -802.726 #kJ/mol + -analytic 5.61865E+0 0E+0 -5.41996E+3 0E+0 0E+0 + +1.000Fe+3 - 3.000H+ + 1.000Edta-4 + 3.000H2O = Fe(OH)3(Edta)-4 + log_k 8.300 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.3E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 - 3.000H+ + 3.000H2O = Fe(OH)3- + log_k -31.900 #76BAE/MES in 99CHIa + delta_h 138.072 #kJ/mol + # Enthalpy of formation: -809.418 #kJ/mol + -analytic -7.71086E+0 0E+0 -7.21199E+3 0E+0 0E+0 + +1.000Fe+3 - 4.000H+ + 4.000H2O = Fe(OH)4- + log_k -21.600 #76BAE/MES in 76CHI + delta_h 133.471 #kJ/mol + # Enthalpy of formation: -1058.849 #kJ/mol + -analytic 1.78308E+0 0E+0 -6.97167E+3 0E+0 0E+0 + +1.000Fe+2 - 4.000H+ + 4.000H2O = Fe(OH)4-2 + log_k -46.000 #76BAE/MES in 99CHIa + delta_h 158.797 #kJ/mol + # Enthalpy of formation: -1074.523 #kJ/mol + -analytic -1.818E+1 0E+0 -8.29453E+3 0E+0 0E+0 + +1.000Fe+2 + 1.000Ox-2 = Fe(Ox) + log_k 4.100 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.1E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000Ox-2 = Fe(Ox)+ + log_k 9.530 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.53E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 2.000Ox-2 = Fe(Ox)2- + log_k 15.750 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.575E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 2.000Ox-2 = Fe(Ox)2-2 + log_k 6.200 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.2E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 3.000Ox-2 = Fe(Ox)3-3 + log_k 20.200 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.02E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 3.000Ox-2 = Fe(Ox)3-4 + log_k 5.220 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.22E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 1.000SO4-2 = Fe(SO4) + log_k 2.200 #91PEA/BER in 98CHI + delta_h 13.514 #kJ/mol + # Enthalpy of formation: -985.826 #kJ/mol + -analytic 4.56755E+0 0E+0 -7.05884E+2 0E+0 0E+0 + +1.000Fe+3 + 1.000SO4-2 = Fe(SO4)+ + log_k 4.100 #95BOU in 98CHI + delta_h 16.359 #kJ/mol + # Enthalpy of formation: -941.981 #kJ/mol + -analytic 6.96597E+0 0E+0 -8.54489E+2 0E+0 0E+0 + +1.000Fe+3 + 2.000SO4-2 = Fe(SO4)2- + log_k 5.400 #91PEA/BER in 98CHI + delta_h 19.248 #kJ/mol + # Enthalpy of formation: -1848.432 #kJ/mol + -analytic 8.7721E+0 0E+0 -1.00539E+3 0E+0 0E+0 + +1.000Fe+3 + 1.000SeO3-2 = Fe(SeO3)+ + log_k 11.150 #05OLI/NOL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.115E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 1.000SeO4-2 = Fe(SeO4) + log_k 2.710 #01SEB/POT + delta_h -12.601 #kJ/mol + # Enthalpy of formation: -706.101 #kJ/mol + -analytic 5.02403E-1 0E+0 6.58195E+2 0E+0 0E+0 + +2.000Fe+3 - 2.000H+ + 2.000Cit-3 + 2.000H2O = Fe2(Cit)2(OH)2-2 + log_k 45.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.5E+1 0E+0 0E+0 0E+0 0E+0 + +2.000Fe+3 - 2.000H+ + 2.000Edta-4 + 2.000H2O = Fe2(OH)2(Edta)2-4 + log_k 68.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.8E+1 0E+0 0E+0 0E+0 0E+0 + +2.000Fe+3 - 2.000H+ + 2.000H2O = Fe2(OH)2+4 + log_k -2.950 #91PEA/BER in 98CHI + delta_h 56.484 #kJ/mol + # Enthalpy of formation: -613.175 #kJ/mol + -analytic 6.94556E+0 0E+0 -2.95036E+3 0E+0 0E+0 + +3.000Fe+3 - 4.000H+ + 4.000H2O = Fe3(OH)4+5 + log_k -6.300 #76BAE/MES in 98CHI + delta_h 59.831 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.18193E+0 0E+0 -3.12519E+3 0E+0 0E+0 + +1.000Fe+3 + 1.000Br- = FeBr+2 + log_k 0.700 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 2.000Br- = FeBr2+ + log_k 0.900 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O = FeCO3OH + log_k 10.760 #05GRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.076E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 - 1.000H+ + 1.000CO3-2 + 1.000H2O = FeCO3OH- + log_k -4.030 #98KIN in 99CHIb + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.03E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 1.000Cl- = FeCl+ + log_k 0.140 #91PEA/BER in 98CHI + delta_h -0.078 #kJ/mol + # Enthalpy of formation: -257.158 #kJ/mol + -analytic 1.26335E-1 0E+0 4.07422E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000Cl- = FeCl+2 + log_k 1.400 #95BOU in 98CHI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.4E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 2.000Cl- = FeCl2 + log_k -0.520 #95CHI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.2E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 2.000Cl- = FeCl2+ + log_k 2.100 #95BOU in 98CHI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 3.000Cl- = FeCl3 + log_k 1.130 #90NOR/PLU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.13E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 3.000Cl- = FeCl3- + log_k 1.020 #95CHI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.02E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 4.000Cl- = FeCl4- + log_k -0.790 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7.9E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000CrO4-2 = FeCrO4+ + log_k 7.800 #96BAR/PAL + delta_h 19.100 #kJ/mol #96BAR/PAL + # Enthalpy of formation: -908.9 #kJ/mol + -analytic 1.11462E+1 0E+0 -9.97661E+2 0E+0 0E+0 + +1.000Fe+2 + 1.000F- = FeF+ + log_k 1.000 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000F- = FeF+2 + log_k 6.130 #92PEA/BER in 98CHI + delta_h 11.297 #kJ/mol + # Enthalpy of formation: -373.053 #kJ/mol + -analytic 8.10915E+0 0E+0 -5.90083E+2 0E+0 0E+0 + +1.000Fe+3 + 2.000F- = FeF2+ + log_k 10.800 #92PEA/BER in 98CHI + delta_h 19.665 #kJ/mol + # Enthalpy of formation: -700.035 #kJ/mol + -analytic 1.42452E+1 0E+0 -1.02717E+3 0E+0 0E+0 + +1.000Fe+3 + 3.000F- = FeF3 + log_k 14.000 #92PEA/BER in 98CHI + delta_h 22.595 #kJ/mol + # Enthalpy of formation: -1032.455 #kJ/mol + -analytic 1.79585E+1 0E+0 -1.18022E+3 0E+0 0E+0 + +1.000Fe+3 + 2.000H+ + 1.000Pyrophos-4 = FeH2Pyrophos+ + log_k 26.000 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.6E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+2 + 1.000H+ + 1.000CO3-2 = FeHCO3+ + log_k 11.770 #95CHI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.177E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000H+ + 1.000SO4-2 = FeHSO4+2 + log_k 4.470 #90NOR/PLU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.47E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000I- = FeI+2 + log_k 2.100 #96BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000S2O3-2 = FeS2O3+ + log_k 3.900 #82SCH + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Fe+3 + 1.000Scn- = FeScn+2 + log_k 3.100 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.1E+0 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000Adipate-2 = H(Adipate)- + log_k 5.450 #04MAR/SMI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.45E+0 0E+0 0E+0 0E+0 0E+0 + +- 2.000H+ + 1.000H3(AsO3) = H(AsO3)-2 + log_k -23.620 #79IVA/VOR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.362E+1 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000AsO4-3 = H(AsO4)-2 + log_k 11.600 + delta_h -18.200 #kJ/mol + # Enthalpy of formation: -906.34 #kJ/mol #10RAN/FUG + -analytic 8.4115E+0 0E+0 9.50651E+2 0E+0 0E+0 + +1.000H+ + 1.000Cit-3 = H(Cit)-2 + log_k 6.360 #05HUM/AND + delta_h 3.300 #kJ/mol + # Enthalpy of formation: -1516.62 #kJ/mol + -analytic 6.93813E+0 0E+0 -1.72371E+2 0E+0 0E+0 + +1.000H+ + 1.000Edta-4 = H(Edta)-3 + log_k 11.240 #05HUM/AND + delta_h -19.800 #kJ/mol + # Enthalpy of formation: -1724.6 #kJ/mol + -analytic 7.77119E+0 0E+0 1.03422E+3 0E+0 0E+0 + +1.000H+ + 1.000Nta-3 = H(Nta)-2 + log_k 10.280 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.028E+1 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000Ox-2 = H(Ox)- + log_k 4.250 #05HUM/AND + delta_h 7.300 #kJ/mol + # Enthalpy of formation: -823.36 #kJ/mol + -analytic 5.5289E+0 0E+0 -3.81305E+2 0E+0 0E+0 + +1.000H+ + 1.000Pyrophos-4 = H(Pyrophos)-3 + log_k 9.400 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.4E+0 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000S2O3-2 = H(S2O3)- + log_k 1.720 #04CHI + delta_h 8.253 #kJ/mol + # Enthalpy of formation: -644.033 #kJ/mol + -analytic 3.16586E+0 0E+0 -4.31084E+2 0E+0 0E+0 + +1.000H+ + 1.000SO3-2 = H(SO3)- + log_k 7.170 #85GOL/PAR + delta_h 3.668 #kJ/mol + # Enthalpy of formation: -627.392 #kJ/mol + -analytic 7.81261E+0 0E+0 -1.91593E+2 0E+0 0E+0 + +1.000H+ + 1.000SO4-2 = H(SO4)- + log_k 1.980 + delta_h 22.440 #kJ/mol + # Enthalpy of formation: -886.9 #kJ/mol + -analytic 5.91131E+0 0E+0 -1.17212E+3 0E+0 0E+0 + +1.000H+ + 1.000SeO3-2 = H(SeO3)- + log_k 8.360 #05OLI/NOL + delta_h -5.170 #kJ/mol + # Enthalpy of formation: -512.33 #kJ/mol #05OLI/NOL + -analytic 7.45426E+0 0E+0 2.70048E+2 0E+0 0E+0 + +1.000H+ + 1.000SeO4-2 = H(SeO4)- + log_k 1.750 #05OLI/NOL + delta_h 20.800 #kJ/mol #05OLI/NOL + # Enthalpy of formation: -582.7 #kJ/mol + -analytic 5.394E+0 0E+0 -1.08646E+3 0E+0 0E+0 + +2.000H+ + 1.000Adipate-2 = H2(Adipate) + log_k 9.890 #04MAR/SMI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.89E+0 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000H3(AsO3) = H2(AsO3)- + log_k -9.220 + delta_h 27.410 #kJ/mol + # Enthalpy of formation: -714.79 #kJ/mol #10RAN/FUG + -analytic -4.41798E+0 0E+0 -1.43172E+3 0E+0 0E+0 + +2.000H+ + 1.000AsO4-3 = H2(AsO4)- + log_k 18.370 + delta_h -21.420 #kJ/mol + # Enthalpy of formation: -909.56 #kJ/mol #10RAN/FUG + -analytic 1.46174E+1 0E+0 1.11884E+3 0E+0 0E+0 + +2.000H+ + 1.000Cit-3 = H2(Cit)- + log_k 11.140 #05HUM/AND + delta_h 0.900 #kJ/mol + # Enthalpy of formation: -1519.02 #kJ/mol + -analytic 1.12977E+1 0E+0 -4.70102E+1 0E+0 0E+0 + +2.000H+ + 1.000Edta-4 = H2(Edta)-2 + log_k 18.040 #05HUM/AND + delta_h -35.000 #kJ/mol + # Enthalpy of formation: -1739.8 #kJ/mol + -analytic 1.19083E+1 0E+0 1.82817E+3 0E+0 0E+0 + +2.000H+ + 1.000Nta-3 = H2(Nta)- + log_k 13.200 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.32E+1 0E+0 0E+0 0E+0 0E+0 + +2.000H+ + 1.000Ox-2 = H2(Ox) + log_k 5.650 #05HUM/AND + delta_h 10.600 #kJ/mol #05HUM/AND + # Enthalpy of formation: -820.06 #kJ/mol + -analytic 7.50704E+0 0E+0 -5.53676E+2 0E+0 0E+0 + +2.000H+ + 1.000Pyrophos-4 = H2(Pyrophos)-2 + log_k 16.050 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.605E+1 0E+0 0E+0 0E+0 0E+0 + +2.000H+ + 1.000S2O3-2 = H2(S2O3) + log_k 2.320 #04CHI + delta_h 22.917 #kJ/mol + # Enthalpy of formation: -629.369 #kJ/mol + -analytic 6.33488E+0 0E+0 -1.19704E+3 0E+0 0E+0 + +2.000H+ + 1.000SO3-2 = H2(SO3) + log_k 9.030 #85GOL/PAR + delta_h 21.453 #kJ/mol + # Enthalpy of formation: -609.607 #kJ/mol + -analytic 1.27884E+1 0E+0 -1.12057E+3 0E+0 0E+0 + +2.000H+ + 1.000SeO3-2 = H2(SeO3) + log_k 11.000 #05OLI/NOL + delta_h 1.840 #kJ/mol + # Enthalpy of formation: -505.32 #kJ/mol #05OLI/NOL + -analytic 1.13224E+1 0E+0 -9.61098E+1 0E+0 0E+0 + +- 2.000H+ + 1.000H4(SiO4) = H2(SiO4)-2 + log_k -23.140 #92GRE/FUG + delta_h 75.000 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -1386.194 #kJ/mol + -analytic -1.00006E+1 0E+0 -3.91752E+3 0E+0 0E+0 + +2.000H+ + 1.000CrO4-2 = H2CrO4 + log_k 6.320 #76BAE/MES, 04CHI + delta_h 39.596 #kJ/mol + # Enthalpy of formation: -839.404 #kJ/mol + -analytic 1.32569E+1 0E+0 -2.06824E+3 0E+0 0E+0 + +2.000H+ + 1.000H2(PO4)- + 1.000CrO4-2 - 1.000H2O = H2CrPO7- + log_k 9.020 + delta_h -51.490 #kJ/mol + # Enthalpy of formation: -1947.26 #kJ/mol #76DEL/HWP + -analytic -6.47544E-4 0E+0 2.68951E+3 0E+0 0E+0 + +1.000H+ + 1.000HGlu- = H2Glu + log_k 3.900 #98ZUB/CAS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000HIsa- = H2Isa + log_k 4.000 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4E+0 0E+0 0E+0 0E+0 0E+0 + +2.000H+ + 1.000MoO4-2 = H2MoO4 + log_k 8.150 #68SAS/SIL, 64AVE/ANA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.15E+0 0E+0 0E+0 0E+0 0E+0 + +2.000H+ + 1.000Phthalat-2 = H2Phthalat + log_k 8.320 #10RIC/SAB + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.32E+0 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000HS- = H2S + log_k 6.990 + delta_h -22.300 #kJ/mol + # Enthalpy of formation: -38.6 #kJ/mol #89COX/WAG + -analytic 3.08321E+0 0E+0 1.16481E+3 0E+0 0E+0 + +2.000H+ + 1.000S2O4-2 = H2S2O4 + log_k 2.800 #04CHI + delta_h 20.207 #kJ/mol + # Enthalpy of formation: -733.293 #kJ/mol + -analytic 6.34011E+0 0E+0 -1.05548E+3 0E+0 0E+0 + +1.000H+ + 1.000HSe- = H2Se + log_k 3.850 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: 14.3 #kJ/mol #05OLI/NOL + -analytic 3.85E+0 0E+0 0E+0 0E+0 0E+0 + +3.000H+ + 1.000AsO4-3 = H3(AsO4) + log_k 20.630 + delta_h -14.360 #kJ/mol + # Enthalpy of formation: -902.5 #kJ/mol #10RAN/FUG + -analytic 1.81142E+1 0E+0 7.50074E+2 0E+0 0E+0 + +3.000H+ + 1.000Cit-3 = H3(Cit) + log_k 14.270 #05HUM/AND + delta_h -3.600 #kJ/mol + # Enthalpy of formation: -1523.52 #kJ/mol + -analytic 1.36393E+1 0E+0 1.88041E+2 0E+0 0E+0 + +3.000H+ + 1.000Edta-4 = H3(Edta)- + log_k 21.190 #05HUM/AND + delta_h -27.900 #kJ/mol + # Enthalpy of formation: -1732.7 #kJ/mol + -analytic 1.63021E+1 0E+0 1.45732E+3 0E+0 0E+0 + +3.000H+ + 1.000Nta-3 = H3(Nta) + log_k 15.330 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.533E+1 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000H2(PO4)- = H3(PO4) + log_k 2.140 #92GRE/FUG + delta_h 8.480 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -1294.12 #kJ/mol + -analytic 3.62563E+0 0E+0 -4.42941E+2 0E+0 0E+0 + +3.000H+ + 1.000Pyrophos-4 = H3(Pyrophos)- + log_k 18.300 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000H4(SiO4) = H3(SiO4)- + log_k -9.840 #06BLA/PIA + delta_h 29.363 #kJ/mol + # Enthalpy of formation: -1431.831 #kJ/mol + -analytic -4.69583E+0 0E+0 -1.53373E+3 0E+0 0E+0 + +4.000H+ + 1.000Edta-4 = H4(Edta) + log_k 23.420 #05HUM/AND + delta_h -26.000 #kJ/mol + # Enthalpy of formation: -1730.8 #kJ/mol + -analytic 1.8865E+1 0E+0 1.35807E+3 0E+0 0E+0 + +4.000H+ + 1.000Nta-3 = H4(Nta)+ + log_k 16.130 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.613E+1 0E+0 0E+0 0E+0 0E+0 + +4.000H+ + 1.000Pyrophos-4 = H4(Pyrophos) + log_k 19.300 #92GRE/FUG + delta_h 6.684 #kJ/mol + # Enthalpy of formation: -2280.21 #kJ/mol #92GRE/FUG + -analytic 2.0471E+1 0E+0 -3.49129E+2 0E+0 0E+0 + +5.000H+ + 1.000Edta-4 = H5(Edta)+ + log_k 24.720 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.472E+1 0E+0 0E+0 0E+0 0E+0 + +6.000H+ + 1.000Edta-4 = H6(Edta)+2 + log_k 24.220 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.422E+1 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000Acetate- = HAcetate + log_k 4.760 + delta_h 0.250 #kJ/mol + # Enthalpy of formation: -485.76 #kJ/mol #82WAG/EVA + -analytic 4.8038E+0 0E+0 -1.30584E+1 0E+0 0E+0 + +1.000H+ + 2.000B(OH)4- - 4.000H2O = HB2O4- + log_k 9.170 #97CRO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.17E+0 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000CO3-2 = HCO3- + log_k 10.330 + delta_h -14.700 #kJ/mol + # Enthalpy of formation: -689.93 #kJ/mol #89COX/WAG + -analytic 7.75467E+0 0E+0 7.67833E+2 0E+0 0E+0 + +1.000H+ + 1.000Cl- = HCl + log_k -0.710 #97TAG/ZOT + delta_h -12.298 #kJ/mol + # Enthalpy of formation: -179.378 #kJ/mol + -analytic -2.86451E+0 0E+0 6.42368E+2 0E+0 0E+0 + +1.000H+ + 1.000CrO4-2 = HCrO4- + log_k 6.520 #87PAL/WES, 04CHI + delta_h 6.016 #kJ/mol + # Enthalpy of formation: -872.984 #kJ/mol + -analytic 7.57396E+0 0E+0 -3.14237E+2 0E+0 0E+0 + +1.000H+ + 1.000H2(PO4)- + 1.000CrO4-2 - 1.000H2O = HCrPO7-2 + log_k 6.370 + delta_h -36.390 #kJ/mol + # Enthalpy of formation: -1932.16 #kJ/mol #76DEL/HEP + -analytic -5.24498E-3 0E+0 1.90078E+3 0E+0 0E+0 + +1.000H+ + 1.000MoO4-2 = HMoO4- + log_k 4.110 #68SAS/SIL, 64AVE/ANA + delta_h 58.576 #kJ/mol #68ARN/SZI in 76BAE/MES + # Enthalpy of formation: -938.424 #kJ/mol + -analytic 1.43721E+1 0E+0 -3.05963E+3 0E+0 0E+0 + +- 1.000H+ + 1.000H2(PO4)- = HPO4-2 + log_k -7.210 + delta_h 3.600 #kJ/mol + # Enthalpy of formation: -1299 #kJ/mol #89COX/WAG + -analytic -6.57931E+0 0E+0 -1.88041E+2 0E+0 0E+0 + +1.000H+ + 1.000Phthalat-2 = HPhthalat- + log_k 5.340 #10RIC/SAB + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.34E+0 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000S2O4-2 = HS2O4- + log_k 2.500 #04CHI + delta_h 3.834 #kJ/mol + # Enthalpy of formation: -749.666 #kJ/mol + -analytic 3.17169E+0 0E+0 -2.00263E+2 0E+0 0E+0 + +1.000H+ + 1.000SO4-2 + 0.500O2 = HSO5- + log_k -17.220 + delta_h 139.777 #kJ/mol + # Enthalpy of formation: -775.63 #kJ/mol #88SHO/HEL + -analytic 7.26784E+0 0E+0 -7.30105E+3 0E+0 0E+0 + +4.000CO3-2 + 1.000Hf+4 = Hf(CO3)4-4 + log_k 42.900 #analogy with Zr + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.29E+1 0E+0 0E+0 0E+0 0E+0 + +2.000NO3- + 1.000Hf+4 = Hf(NO3)2+2 + log_k 2.490 #65DES/KHO recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.49E+0 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000Hf+4 + 1.000H2O = Hf(OH)+3 + log_k -0.200 #01RAI/XIA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2E-1 0E+0 0E+0 0E+0 0E+0 + +- 4.000H+ + 1.000Hf+4 + 4.000H2O = Hf(OH)4 + log_k -11.200 #01RAI/XIA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.12E+1 0E+0 0E+0 0E+0 0E+0 + +- 5.000H+ + 1.000Hf+4 + 5.000H2O = Hf(OH)5- + log_k -20.300 #01RAI/XIA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.03E+1 0E+0 0E+0 0E+0 0E+0 + +- 6.000H+ + 1.000Hf+4 + 6.000H2O = Hf(OH)6-2 + log_k -32.800 #01RAI/XIA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.28E+1 0E+0 0E+0 0E+0 0E+0 + +2.000SO4-2 + 1.000Hf+4 = Hf(SO4)2 + log_k 10.110 #65DES/KHO recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.011E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Br- + 1.000Hf+4 = HfBr+3 + log_k 0.380 #67HAL/POH recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.8E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Cl- + 1.000Hf+4 = HfCl+3 + log_k 2.200 #65DES/KHO and others recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0 + +2.000Cl- + 1.000Hf+4 = HfCl2+2 + log_k 2.050 #65DES/KHO and others recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.05E+0 0E+0 0E+0 0E+0 0E+0 + +1.000F- + 1.000Hf+4 = HfF+3 + log_k 9.290 #05SAW/THA and others recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.29E+0 0E+0 0E+0 0E+0 0E+0 + +2.000F- + 1.000Hf+4 = HfF2+2 + log_k 17.850 #05SAW/THA and others recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.785E+1 0E+0 0E+0 0E+0 0E+0 + +3.000F- + 1.000Hf+4 = HfF3+ + log_k 25.080 #05SAW/THA and others recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.508E+1 0E+0 0E+0 0E+0 0E+0 + +4.000F- + 1.000Hf+4 = HfF4 + log_k 31.410 #05SAW/THA and others recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.141E+1 0E+0 0E+0 0E+0 0E+0 + +1.000I- + 1.000Hf+4 = HfI+3 + log_k 0.020 #67HAL/POH recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2E-2 0E+0 0E+0 0E+0 0E+0 + +1.000NO3- + 1.000Hf+4 = HfNO3+3 + log_k 1.850 #65DES/KHO 69HAL/SMO recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.85E+0 0E+0 0E+0 0E+0 0E+0 + +1.000SO4-2 + 1.000Hf+4 = HfSO4+2 + log_k 6.060 #65DES/KHO recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.06E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Hg+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Hg(SeCn)2 + log_k 134.330 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.3433E+2 0E+0 0E+0 0E+0 0E+0 + +1.000Hg+2 + 3.000H+ + 3.000Cn- + 3.000HSe- - 3.000H2O + 1.500O2 = Hg(SeCn)3- + log_k 194.850 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.9485E+2 0E+0 0E+0 0E+0 0E+0 + +1.000Hg+2 + 4.000H+ + 4.000Cn- + 4.000HSe- - 4.000H2O + 2.000O2 = Hg(SeCn)4-2 + log_k 253.370 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.5337E+2 0E+0 0E+0 0E+0 0E+0 + +1.000Hg+2 + 2.000SeO3-2 = Hg(SeO3)2-2 + log_k 14.850 #05OLI/NOL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.485E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Hg+2 - 1.000H+ + 1.000HSe- = HgSe + log_k 37.590 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.759E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Hg+2 - 2.000H+ + 2.000HSe- = HgSe2-2 + log_k 32.630 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.263E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ho+3 + 1.000CO3-2 = Ho(CO3)+ + log_k 8.000 #95SPA/BRU + delta_h 168.562 #kJ/mol + # Enthalpy of formation: -1213.71 #kJ/mol + -analytic 3.75308E+1 0E+0 -8.80459E+3 0E+0 0E+0 + +1.000Ho+3 + 2.000CO3-2 = Ho(CO3)2- + log_k 13.300 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.33E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ho+3 + 3.000CO3-2 = Ho(CO3)3-3 + log_k 14.800 #05VER/VIT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ho+3 + 1.000H2(PO4)- = Ho(H2PO4)+2 + log_k 2.300 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000Ho+3 + 1.000CO3-2 = Ho(HCO3)+2 + log_k 12.500 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.25E+1 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000Ho+3 + 1.000H2(PO4)- = Ho(HPO4)+ + log_k -1.410 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.41E+0 0E+0 0E+0 0E+0 0E+0 + +- 2.000H+ + 1.000Ho+3 + 2.000H2(PO4)- = Ho(HPO4)2- + log_k -4.520 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.52E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ho+3 + 1.000NO3- = Ho(NO3)+2 + log_k 0.500 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5E-1 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000Ho+3 + 1.000H2O = Ho(OH)+2 + log_k -7.900 #95SPA/BRU + delta_h 79.900 #kJ/mol + # Enthalpy of formation: -912.972 #kJ/mol + -analytic 6.09786E+0 0E+0 -4.17346E+3 0E+0 0E+0 + +- 2.000H+ + 1.000Ho+3 + 2.000H2O = Ho(OH)2+ + log_k -15.700 #07NEC/ALT + delta_h 143.846 #kJ/mol + # Enthalpy of formation: -1134.856 #kJ/mol + -analytic 9.5007E+0 0E+0 -7.51359E+3 0E+0 0E+0 + +- 3.000H+ + 1.000Ho+3 + 3.000H2O = Ho(OH)3 + log_k -26.200 #07NEC/ALT + delta_h 226.067 #kJ/mol + # Enthalpy of formation: -1338.465 #kJ/mol + -analytic 1.34052E+1 0E+0 -1.18083E+4 0E+0 0E+0 + +- 4.000H+ + 1.000Ho+3 + 4.000H2O = Ho(OH)4- + log_k -40.700 #07NEC/ALT + delta_h 295.822 #kJ/mol + # Enthalpy of formation: -1554.54 #kJ/mol + -analytic 1.11257E+1 0E+0 -1.54518E+4 0E+0 0E+0 + +- 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- = Ho(PO4) + log_k -6.960 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.96E+0 0E+0 0E+0 0E+0 0E+0 + +- 4.000H+ + 1.000Ho+3 + 2.000H2(PO4)- = Ho(PO4)2-3 + log_k -17.820 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.782E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ho+3 + 1.000SO4-2 = Ho(SO4)+ + log_k 3.400 #95SPA/BRU + delta_h 15.387 #kJ/mol + # Enthalpy of formation: -1600.995 #kJ/mol + -analytic 6.09568E+0 0E+0 -8.03718E+2 0E+0 0E+0 + +1.000Ho+3 + 2.000SO4-2 = Ho(SO4)2- + log_k 4.900 #95SPA/BRU + delta_h 23.670 #kJ/mol + # Enthalpy of formation: -2502.052 #kJ/mol + -analytic 9.0468E+0 0E+0 -1.23637E+3 0E+0 0E+0 + +1.000Ho+3 + 1.000Cl- = HoCl+2 + log_k 0.740 #Original data from 01LUO/BYR and 04LUO/BYR + delta_h 22.013 #kJ/mol + # Enthalpy of formation: -852.109 #kJ/mol + -analytic 4.59651E+0 0E+0 -1.14982E+3 0E+0 0E+0 + +1.000Ho+3 + 2.000Cl- = HoCl2+ + log_k -0.290 #81TUR/WHI + delta_h 36.300 #kJ/mol + # Enthalpy of formation: -1004.902 #kJ/mol + -analytic 6.06948E+0 0E+0 -1.89608E+3 0E+0 0E+0 + +1.000Ho+3 + 1.000F- = HoF+2 + log_k 4.330 #07LUO/BYR + delta_h 25.761 #kJ/mol + # Enthalpy of formation: -1016.631 #kJ/mol + -analytic 8.84313E+0 0E+0 -1.34559E+3 0E+0 0E+0 + +1.000Ho+3 + 2.000F- = HoF2+ + log_k 6.520 #Original data from 99SCH/BYR and 04LUO/BYR + delta_h 21.110 #kJ/mol #04LUO/MIL + # Enthalpy of formation: -1356.632 #kJ/mol + -analytic 1.02183E+1 0E+0 -1.10265E+3 0E+0 0E+0 + +- 1.000H+ + 1.000Ho+3 + 1.000H4(SiO4) = HoSiO(OH)3+2 + log_k -2.620 #Original data from 07THA/SIN and 96JEN/CHO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 + +3.000I- - 1.000H2O + 2.000H+ + 0.500O2 = I3- + log_k 24.820 + delta_h -160.886 #kJ/mol + # Enthalpy of formation: -51.463 #kJ/mol + -analytic -3.36598E+0 0E+0 8.40365E+3 0E+0 0E+0 + +2.000Cl- + 1.000I- - 1.000H2O + 2.000H+ + 0.500O2 = ICl2- + log_k 16.190 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.619E+1 0E+0 0E+0 0E+0 0E+0 + +1.000I- + 0.500O2 = IO- + log_k -1.010 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.0100E+0 0E+0 0E+0 0E+0 0E+0 + +1.000I- + 2.000O2 = IO4- + log_k 6.980 + delta_h -70.413 #kJ/mol + # Enthalpy of formation: -151.461 #kJ/mol + -analytic -5.35581E+0 0E+0 3.67792E+3 0E+0 0E+0 + +1.000K+ + 1.000Edta-4 = K(Edta)-3 + log_k 1.800 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0 + +1.000K+ + 1.000H+ + 1.000Nta-3 = K(HNta)- + log_k 10.300 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.03E+1 0E+0 0E+0 0E+0 0E+0 + +1.000K+ - 1.000H+ + 1.000H2(PO4)- = K(HPO4)- + log_k -6.400 #97MAR/SMI + delta_h 31.589 #kJ/mol #97MAR/SMI + # Enthalpy of formation: -1523.151 #kJ/mol + -analytic -8.65853E-1 0E+0 -1.65001E+3 0E+0 0E+0 + +1.000K+ + 1.000IO3- = K(IO3) + log_k 0.020 #estimation NEA87 08/2/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2E-2 0E+0 0E+0 0E+0 0E+0 + +1.000K+ + 1.000Nta-3 = K(Nta)-2 + log_k 1.300 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0 + +1.000K+ + 1.000Pyrophos-4 = K(Pyrophos)-3 + log_k 2.100 #76MAR/SMI + delta_h 7.113 #kJ/mol #76MAR/SMI + # Enthalpy of formation: -2531.921 #kJ/mol + -analytic 3.34614E+0 0E+0 -3.71537E+2 0E+0 0E+0 + +1.000K+ + 1.000Al+3 - 4.000H+ + 4.000H2O = KAl(OH)4 + log_k -24.220 + delta_h 211.675 #kJ/mol + # Enthalpy of formation: -1722.185 #kJ/mol #97POK/HEL + -analytic 1.28638E+1 0E+0 -1.10565E+4 0E+0 0E+0 + +1.000K+ + 1.000H2(PO4)- = KH2PO4 + log_k 0.440 #97MAR/SMI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.4E-1 0E+0 0E+0 0E+0 0E+0 + +1.000K+ + 1.000I- = KI + log_k -1.570 #estimation NEA87 08/2/95 + delta_h 9.011 #kJ/mol + # Enthalpy of formation: -299.909 #kJ/mol + -analytic 8.65712E-3 0E+0 -4.70677E+2 0E+0 0E+0 + +1.000K+ - 2.000H+ + 1.000H2(PO4)- = KPO4-2 + log_k -18.260 #97MAR/SMI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.826E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Mg+2 + 1.000CO3-2 = Mg(CO3) + log_k 2.980 #97SVE/SHO + delta_h 8.804 #kJ/mol + # Enthalpy of formation: -1133.426 #kJ/mol + -analytic 4.52239E+0 0E+0 -4.59864E+2 0E+0 0E+0 + +1.000Mg+2 + 1.000Cit-3 = Mg(Cit)- + log_k 4.810 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.81E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mg+2 + 1.000Edta-4 = Mg(Edta)-2 + log_k 10.900 #05HUM/AND + delta_h 19.800 #kJ/mol + # Enthalpy of formation: -2152 #kJ/mol + -analytic 1.43688E+1 0E+0 -1.03422E+3 0E+0 0E+0 + +1.000Mg+2 + 2.000H+ + 1.000Cit-3 = Mg(H2Cit)+ + log_k 12.450 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.245E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Mg+2 + 1.000H2(PO4)- = Mg(H2PO4)+ + log_k 1.170 #81TUR/WHI + delta_h 13.514 #kJ/mol #96BOU + # Enthalpy of formation: -1756.086 #kJ/mol + -analytic 3.53755E+0 0E+0 -7.05884E+2 0E+0 0E+0 + +1.000Mg+2 - 1.000H+ + 1.000H4(SiO4) = Mg(H3SiO4)+ + log_k -8.580 #97SVE/SHO + delta_h 27.114 #kJ/mol + # Enthalpy of formation: -1901.08 #kJ/mol + -analytic -3.82984E+0 0E+0 -1.41626E+3 0E+0 0E+0 + +1.000Mg+2 + 1.000H+ + 1.000CO3-2 = Mg(HCO3)+ + log_k 11.370 #95SHO/KOR + delta_h -12.859 #kJ/mol + # Enthalpy of formation: -1155.089 #kJ/mol + -analytic 9.1172E+0 0E+0 6.71671E+2 0E+0 0E+0 + +1.000Mg+2 + 1.000H+ + 1.000Cit-3 = Mg(HCit) + log_k 8.960 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.96E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mg+2 + 1.000H+ + 1.000Edta-4 = Mg(HEdta)- + log_k 15.400 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.54E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Mg+2 - 1.000H+ + 1.000H2(PO4)- = Mg(HPO4) + log_k -4.300 #76SMI/MAR + delta_h 16.152 #kJ/mol #76SMI/MAR + # Enthalpy of formation: -1753.448 #kJ/mol + -analytic -1.4703E+0 0E+0 -8.43676E+2 0E+0 0E+0 + +1.000Mg+2 + 1.000IO3- = Mg(IO3)+ + log_k 0.700 #estimation NEA87 08/2/95 ; + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Mg+2 + 1.000NH3 = Mg(NH3)+2 + log_k 0.100 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: -548.148 #kJ/mol + -analytic 1E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Mg+2 + 3.000NH3 = Mg(NH3)3+2 + log_k -0.300 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: -710.444 #kJ/mol + -analytic -3E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Mg+2 + 4.000NH3 = Mg(NH3)4+2 + log_k -1.000 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: -791.592 #kJ/mol + -analytic -1E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mg+2 + 1.000Nta-3 = Mg(Nta)- + log_k 6.790 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mg+2 - 1.000H+ + 1.000H2O = Mg(OH)+ + log_k -11.680 #97SHO/SAS + delta_h 62.835 #kJ/mol + # Enthalpy of formation: -689.995 #kJ/mol + -analytic -6.71797E-1 0E+0 -3.2821E+3 0E+0 0E+0 + +1.000Mg+2 + 1.000Ox-2 = Mg(Ox) + log_k 3.560 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.56E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mg+2 + 2.000Ox-2 = Mg(Ox)2-2 + log_k 5.170 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.17E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mg+2 - 2.000H+ + 1.000H2(PO4)- = Mg(PO4)- + log_k -14.710 #81TUR/WHI + delta_h 31.170 #kJ/mol #96BOU + # Enthalpy of formation: -1738.43 #kJ/mol + -analytic -9.24926E+0 0E+0 -1.62812E+3 0E+0 0E+0 + +1.000Mg+2 + 1.000Pyrophos-4 = Mg(Pyrophos)-2 + log_k 7.200 #76SMI/MAR + delta_h 12.542 #kJ/mol + # Enthalpy of formation: -2741.352 #kJ/mol + -analytic 9.39726E+0 0E+0 -6.55113E+2 0E+0 0E+0 + +1.000Mg+2 + 1.000S2O3-2 = Mg(S2O3) + log_k 1.820 #76SMI/MAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.82E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mg+2 + 1.000SO4-2 = Mg(SO4) + log_k 2.230 #76SMI/MAR + delta_h 5.858 #kJ/mol #76SMI/MAR + # Enthalpy of formation: -1370.482 #kJ/mol + -analytic 3.25628E+0 0E+0 -3.05984E+2 0E+0 0E+0 + +1.000Mg+2 + 1.000SeO4-2 = Mg(SeO4) + log_k 2.200 #05OLI/NOL + delta_h -6.614 #kJ/mol + # Enthalpy of formation: -1077.114 #kJ/mol + -analytic 1.04128E+0 0E+0 3.45473E+2 0E+0 0E+0 + +4.000Mg+2 - 4.000H+ + 4.000H2O = Mg4(OH)4+4 + log_k -39.750 #76BAE/MES + delta_h 229.186 #kJ/mol + # Enthalpy of formation: -2782.134 #kJ/mol + -analytic 4.01605E-1 0E+0 -1.19712E+4 0E+0 0E+0 + +1.000Mg+2 + 1.000B(OH)4- = MgB(OH)4+ + log_k 1.600 #97CRO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.6E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mg+2 + 1.000Br- = MgBr+ + log_k -0.140 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.4E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Mg+2 + 1.000Cl- = MgCl+ + log_k 0.350 #96BOU + delta_h -1.729 #kJ/mol + # Enthalpy of formation: -635.809 #kJ/mol + -analytic 4.70926E-2 0E+0 9.03118E+1 0E+0 0E+0 + +1.000Mg+2 + 1.000F- = MgF+ + log_k 1.800 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; S¿lection de donn¿es thermodynamiques aff¿rentes aux corrections de Temp¿rature sur les principaux ¿quilibres chimiques en milieu naturel + delta_h 13.389 #kJ/mol + # Enthalpy of formation: -788.961 #kJ/mol + -analytic 4.14565E+0 0E+0 -6.99355E+2 0E+0 0E+0 + +1.000Mg+2 + 1.000I- = MgI+ + log_k 0.180 #estimation NEA87 08/2/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.8E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Mg+2 + 2.000I- = MgI2 + log_k 0.030 #estimation NEA87 08/2/95 ; + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3E-2 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 1.000CO3-2 = Mn(CO3) + log_k 6.500 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 1.000H+ + 1.000CO3-2 = Mn(HCO3)+ + log_k 11.610 #95CHI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.161E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 - 1.000H+ + 1.000H2(PO4)- = Mn(HPO4) + log_k -3.260 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.26E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 - 2.000H+ + 2.000H2(PO4)- = Mn(HPO4)2-2 + log_k -9.120 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -9.12E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 1.000IO3- = Mn(IO3)+ + log_k 0.840 #estimation NEA87 08/2/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.4E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 2.000IO3- = Mn(IO3)2 + log_k 0.130 #estimation NEA87 08/2/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.3E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 1.000NH3 = Mn(NH3)+2 + log_k 0.700 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 2.000NH3 = Mn(NH3)2+2 + log_k 1.200 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.2E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 1.000NO3- = Mn(NO3)+ + log_k 0.160 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.6E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 2.000NO3- = Mn(NO3)2 + log_k 0.500 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 - 1.000H+ + 1.000H2O = Mn(OH)+ + log_k -10.590 #95CHI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.059E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 - 2.000H+ + 2.000H2O = Mn(OH)2 + log_k -22.200 #95CHI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.22E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 - 3.000H+ + 3.000H2O = Mn(OH)3- + log_k -34.800 #95CHI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.48E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 - 4.000H+ + 4.000H2O = Mn(OH)4-2 + log_k -48.300 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92EUR 11891 EN ; Nagra TR 91-18 (mai 1992, Hatches 3.0) (provient de la base 0391 MINEQL- PSY) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.83E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 1.000Pyrophos-4 = Mn(Pyrophos)-2 + log_k 6.000 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 1.000S2O3-2 = Mn(S2O3) + log_k 1.900 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 1.000SO4-2 = Mn(SO4) + log_k 2.250 #95CHI + delta_h 14.100 #kJ/mol + # Enthalpy of formation: -1115.99 #kJ/mol + -analytic 4.72021E+0 0E+0 -7.36493E+2 0E+0 0E+0 + +1.000Mn+2 + 1.000Scn- = Mn(Scn)+ + log_k 1.400 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.4E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 1.000SeO4-2 = Mn(SeO4) + log_k 2.430 #05OLI/NOL + delta_h -1.282 #kJ/mol + # Enthalpy of formation: -825.582 #kJ/mol + -analytic 2.2054E+0 0E+0 6.69634E+1 0E+0 0E+0 + +1.000Mn+2 - 0.500H2O + 1.000H+ + 0.250O2 = Mn+3 + log_k -4.015 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.015E+0 0E+0 0E+0 0E+0 0E+0 + +2.000Mn+2 - 1.000H+ + 1.000H2O = Mn2(OH)+3 + log_k -10.100 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.01E+1 0E+0 0E+0 0E+0 0E+0 + +2.000Mn+2 - 3.000H+ + 3.000H2O = Mn2(OH)3+ + log_k -24.900 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.49E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 1.000Br- = MnBr+ + log_k 0.130 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.3E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 1.000Cl- = MnCl+ + log_k 0.300 + delta_h 18.466 #kJ/mol + # Enthalpy of formation: -369.364 #kJ/mol + -analytic 3.5351E+0 0E+0 -9.64545E+2 0E+0 0E+0 + +1.000Mn+2 + 2.000Cl- = MnCl2 + log_k 0.250 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.5E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 3.000Cl- = MnCl3- + log_k -0.310 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.1E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 1.000F- = MnF+ + log_k 0.850 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.5E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 2.000F- = MnF2 + log_k 9.040 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.04E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 3.000F- = MnF3- + log_k 11.640 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.164E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 4.000F- = MnF4-2 + log_k 13.400 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 5.000F- = MnF5-3 + log_k 14.700 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.47E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 6.000F- = MnF6-4 + log_k 15.500 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.55E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 + 1.000I- = MnI+ + log_k 0.230 #estimation NEA87 08/2/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.3E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Mn+2 - 3.000H+ + 1.500H2O + 1.250O2 = MnO4- + log_k -20.305 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 + delta_h 123.253 #kJ/mol + # Enthalpy of formation: -541.41 #kJ/mol + -analytic 1.28788E+0 0E+0 -6.43792E+3 0E+0 0E+0 + +1.000Mn+2 - 4.000H+ + 2.000H2O + 1.000O2 = MnO4-2 + log_k -32.420 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 + delta_h 151.840 #kJ/mol + # Enthalpy of formation: -652.704 #kJ/mol + -analytic -5.81881E+0 0E+0 -7.93114E+3 0E+0 0E+0 + +1.000Mn+2 - 5.000H+ + 2.500H2O + 0.750O2 = MnO4-3 + log_k -48.515 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.8515E+1 0E+0 0E+0 0E+0 0E+0 + +5.000H+ + 1.000MoO4-2 - 2.500H2O - 0.750O2 = Mo+3 + log_k -42.725 #68SAS/SIL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.2725E+1 0E+0 0E+0 0E+0 0E+0 + +34.000H+ + 19.000MoO4-2 - 17.000H2O = Mo19O59-4 + log_k 196.300 #68SAS/SIL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.963E+2 0E+0 0E+0 0E+0 0E+0 + +5.000H+ + 2.000MoO4-2 - 2.000H2O = Mo2O5(OH)+ + log_k 19.000 #68SAS/SIL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.9E+1 0E+0 0E+0 0E+0 0E+0 + +11.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O21(OH)3-3 + log_k 66.480 #68SAS/SIL, 64AVE/ANA + delta_h -222.589 #kJ/mol #68ARN/SZI in 76BAE/MES + # Enthalpy of formation: -6058.269 #kJ/mol + -analytic 2.74841E+1 0E+0 1.16266E+4 0E+0 0E+0 + +10.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O22(OH)2-4 + log_k 62.710 #68SAS/SIL, 64AVE/ANA + delta_h -220.079 #kJ/mol #68ARN/SZI in 76BAE/MES + # Enthalpy of formation: -6055.759 #kJ/mol + -analytic 2.41539E+1 0E+0 1.14955E+4 0E+0 0E+0 + +9.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O23(OH)-5 + log_k 57.210 #68SAS/SIL, 64AVE/ANA + delta_h -223.426 #kJ/mol #68ARN/SZI in 76BAE/MES + # Enthalpy of formation: -6059.106 #kJ/mol + -analytic 1.80675E+1 0E+0 1.16703E+4 0E+0 0E+0 + +8.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O24-6 + log_k 50.350 #68SAS/SIL, 64AVE/ANA + delta_h -234.304 #kJ/mol #68ARN/SZI in 76BAE/MES + # Enthalpy of formation: -6069.984 #kJ/mol + -analytic 9.30176E+0 0E+0 1.22385E+4 0E+0 0E+0 + +1.000H+ + 1.000NH3 = NH4+ + log_k 9.230 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: -133.26 #kJ/mol #92GRE/FUG + -analytic 9.23E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Na+ + 1.000CO3-2 = Na(CO3)- + log_k 1.270 #90NOR/PLU + delta_h 37.279 #kJ/mol #90NOR/PLU + # Enthalpy of formation: -878.291 #kJ/mol + -analytic 7.80099E+0 0E+0 -1.94721E+3 0E+0 0E+0 + +1.000Na+ + 1.000Edta-4 = Na(Edta)-3 + log_k 2.800 #05HUM/AND + delta_h -4.000 #kJ/mol + # Enthalpy of formation: -1949.14 #kJ/mol + -analytic 2.09923E+0 0E+0 2.08934E+2 0E+0 0E+0 + +1.000Na+ + 1.000H+ + 1.000CO3-2 = Na(HCO3) + log_k 10.080 #90NOR/PLU + delta_h -26.127 #kJ/mol + # Enthalpy of formation: -941.697 #kJ/mol + -analytic 5.50275E+0 0E+0 1.36471E+3 0E+0 0E+0 + +1.000Na+ + 1.000H+ + 1.000Nta-3 = Na(HNta)- + log_k 10.320 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.032E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Na+ - 1.000H+ + 1.000H2(PO4)- = Na(HPO4)- + log_k -6.340 #97MAR/SMI + delta_h 34.936 #kJ/mol #97MAR/SMI + # Enthalpy of formation: -1508.004 #kJ/mol + -analytic -2.19485E-1 0E+0 -1.82483E+3 0E+0 0E+0 + +1.000Na+ + 1.000IO3- = Na(IO3) + log_k 0.060 #estimation NEA87 08/2/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6E-2 0E+0 0E+0 0E+0 0E+0 + +1.000Na+ + 1.000Nta-3 = Na(Nta)-2 + log_k 1.880 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.88E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Na+ + 1.000S2O3-2 = Na(S2O3)- + log_k 0.610 + delta_h 4.656 #kJ/mol + # Enthalpy of formation: -887.97 #kJ/mol #82WAG/EVA + -analytic 1.42569E+0 0E+0 -2.43199E+2 0E+0 0E+0 + +2.000Na+ + 1.000Pyrophos-4 = Na2(Pyrophos)-2 + log_k 2.290 #76SMI/MAR + delta_h 5.858 #kJ/mol #76SMI/MAR + # Enthalpy of formation: -2761.716 #kJ/mol + -analytic 3.31628E+0 0E+0 -3.05984E+2 0E+0 0E+0 + +1.000Na+ + 1.000Al+3 - 4.000H+ + 4.000H2O = NaAl(OH)4 + log_k -23.630 + delta_h 190.348 #kJ/mol + # Enthalpy of formation: -1731.712 #kJ/mol #95POK/HEL + -analytic 9.71749E+0 0E+0 -9.94255E+3 0E+0 0E+0 + +1.000Na+ + 1.000B(OH)4- = NaB(OH)4 + log_k -0.100 + delta_h 1.226 #kJ/mol + # Enthalpy of formation: -1584.23 #kJ/mol + -analytic 1.14786E-1 0E+0 -6.40383E+1 0E+0 0E+0 + +1.000Na+ + 1.000F- = NaF + log_k -0.450 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; S¿lection de donn¿es thermodynamiques aff¿rentes aux corrections de Temp¿rature sur les principaux ¿quilibres chimiques en milieu naturel + delta_h -12.552 #kJ/mol + # Enthalpy of formation: -588.242 #kJ/mol + -analytic -2.64901E+0 0E+0 6.55636E+2 0E+0 0E+0 + +1.000Na+ + 1.000H2(PO4)- = NaH2PO4 + log_k 0.410 #97MAR/SMI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.1E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Na+ + 1.000I- = NaI + log_k -1.520 #estimation NEA87 08/2/95 + delta_h 7.252 #kJ/mol + # Enthalpy of formation: -289.868 #kJ/mol + -analytic -2.49506E-1 0E+0 -3.78798E+2 0E+0 0E+0 + +1.000Na+ - 2.000H+ + 1.000H2(PO4)- = NaPO4-2 + log_k -18.070 #97MAR/SMI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.807E+1 0E+0 0E+0 0E+0 0E+0 + +3.000H+ + 1.000Nb(OH)6- - 3.000H2O = Nb(OH)3+2 + log_k 7.500 #97PEI/NGU + delta_h -10.230 #kJ/mol #97PEI/NGU + # Enthalpy of formation: -1078.405 #kJ/mol + -analytic 5.70778E+0 0E+0 5.34349E+2 0E+0 0E+0 + +2.000H+ + 1.000Nb(OH)6- - 2.000H2O = Nb(OH)4+ + log_k 6.640 #97PEI/NGU + delta_h -35.350 #kJ/mol #97PEI/NGU + # Enthalpy of formation: -1389.355 #kJ/mol + -analytic 4.46955E-1 0E+0 1.84646E+3 0E+0 0E+0 + +1.000H+ + 1.000Nb(OH)6- - 1.000H2O = Nb(OH)5 + log_k 5.080 #97PEI/NGU + delta_h -13.390 #kJ/mol #97PEI/NGU + # Enthalpy of formation: -1653.225 #kJ/mol + -analytic 2.73418E+0 0E+0 6.99407E+2 0E+0 0E+0 + +- 1.000H+ + 1.000Nb(OH)6- + 1.000H2O = Nb(OH)7-2 + log_k -8.880 #97PEI/NGU + delta_h 10.170 #kJ/mol #97PEI/NGU + # Enthalpy of formation: -2201.325 #kJ/mol + -analytic -7.0983E+0 0E+0 -5.31215E+2 0E+0 0E+0 + +5.000H+ + 1.000Nb(OH)6- + 1.000Cit-3 - 4.000H2O = NbO2(H3Cit)+ + log_k 25.640 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.564E+1 0E+0 0E+0 0E+0 0E+0 + +3.000H+ + 1.000Nb(OH)6- + 1.000Ox-2 - 4.000H2O = NbO2(HOx) + log_k 13.700 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.37E+1 0E+0 0E+0 0E+0 0E+0 + +4.000H+ + 1.000Nb(OH)6- + 2.000Ox-2 - 4.000H2O = NbO2(HOx)2- + log_k 20.960 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.096E+1 0E+0 0E+0 0E+0 0E+0 + +2.000H+ + 1.000Nb(OH)6- + 1.000Ox-2 - 4.000H2O = NbO2(Ox)- + log_k 10.940 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.094E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000Acetate- = Ni(Acetate)+ + log_k 1.340 #11RIC/GRI + delta_h -28.257 #kJ/mol + # Enthalpy of formation: -569.279 #kJ/mol + -analytic -3.61041E+0 0E+0 1.47596E+3 0E+0 0E+0 + +1.000Ni+2 + 1.000CO3-2 = Ni(CO3) + log_k 4.200 #03BAE/BRA in 05GAM/BUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.2E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 2.000CO3-2 = Ni(CO3)2-2 + log_k 6.200 #03BAE/BRA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.2E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000Cit-3 = Ni(Cit)- + log_k 6.760 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.76E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 2.000Cit-3 = Ni(Cit)2-4 + log_k 8.500 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 4.000Cn- = Ni(Cn)4-2 + log_k 30.200 + delta_h -180.700 #kJ/mol #05GAM/BUG + # Enthalpy of formation: 353.688 #kJ/mol + -analytic -1.45723E+0 0E+0 9.4386E+3 0E+0 0E+0 + +1.000Ni+2 + 5.000Cn- = Ni(Cn)5-3 + log_k 28.500 + delta_h -191.100 #kJ/mol #05GAM/BUG + # Enthalpy of formation: 490.638 #kJ/mol + -analytic -4.97923E+0 0E+0 9.98183E+3 0E+0 0E+0 + +1.000Ni+2 + 1.000Edta-4 = Ni(Edta)-2 + log_k 20.540 #05HUM/AND + delta_h -26.100 #kJ/mol + # Enthalpy of formation: -1785.912 #kJ/mol + -analytic 1.59675E+1 0E+0 1.3633E+3 0E+0 0E+0 + +1.000Ni+2 + 2.000H+ + 1.000Cit-3 = Ni(H2Cit)+ + log_k 13.190 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.319E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000H+ + 1.000CO3-2 = Ni(HCO3)+ + log_k 11.730 #03BAE/BRA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.173E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000H+ + 1.000Cit-3 = Ni(HCit) + log_k 10.520 #05HUM/BER + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.052E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000H+ + 1.000Edta-4 = Ni(HEdta)- + log_k 24.200 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.42E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000HIsa- = Ni(HIsa)+ + log_k 2.800 #12GRI/COL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 - 1.000H+ + 1.000H2(PO4)- = Ni(HPO4) + log_k -4.160 #05GAM/BUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.16E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 2.000HS- = Ni(HS)2 + log_k 11.100 #02HUM/BER + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.11E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000NH3 = Ni(NH3)+2 + log_k 2.610 #70LET/ROC in 82HOG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.61E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 2.000NH3 = Ni(NH3)2+2 + log_k 4.760 #70LET/ROC in 82HOG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.76E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 3.000NH3 = Ni(NH3)3+2 + log_k 6.790 #70LET/ROC in 82HOG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 4.000NH3 = Ni(NH3)4+2 + log_k 8.340 #70LET/ROC in 82HOG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.34E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000NO3- = Ni(NO3)+ + log_k 0.500 #05GAM/BUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 2.000NO3- = Ni(NO3)2 + log_k -0.600 #76SMI/MAR in 89BAE/McK + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000Nta-3 = Ni(Nta)- + log_k 12.750 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.275E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 2.000Nta-3 = Ni(Nta)2-4 + log_k 16.950 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.695E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Ni(OH)(Nta)-2 + log_k 1.470 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.47E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 - 1.000H+ + 1.000H2O = Ni(OH)+ + log_k -9.540 #05GAM/BUG + delta_h 53.800 #kJ/mol #05GAM/BUG + # Enthalpy of formation: -287.042 #kJ/mol + -analytic -1.14658E-1 0E+0 -2.81017E+3 0E+0 0E+0 + +1.000Ni+2 - 2.000H+ + 2.000H2O = Ni(OH)2 + log_k -18.000 #49GAY/GAR reevaluated in 05GAM/BUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.8E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 - 3.000H+ + 1.000H2(PO4)- + 2.000H2O = Ni(OH)2(HPO4)-2 + log_k -23.240 #95LEM + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.324E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000HIsa- + 3.000H2O - 3.000H+ = Ni(OH)3(HIsa)-2 + log_k -26.500 #12GRI/COL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.65E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 - 3.000H+ + 3.000H2O = Ni(OH)3- + log_k -29.380 #49GAY/GAR reevaluated in 05GAM/BUG + delta_h 121.200 #kJ/mol #05GAM/BUG + # Enthalpy of formation: -791.302 #kJ/mol + -analytic -8.1467E+0 0E+0 -6.33071E+3 0E+0 0E+0 + +1.000Ni+2 + 1.000Ox-2 = Ni(Ox) + log_k 5.190 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: -885.672 #kJ/mol + -analytic 5.19E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 2.000Ox-2 = Ni(Ox)2-2 + log_k 7.640 #05HUM/AND + delta_h -7.800 #kJ/mol + # Enthalpy of formation: -1724.132 #kJ/mol + -analytic 6.2735E+0 0E+0 4.07422E+2 0E+0 0E+0 + +1.000Ni+2 + 1.000Phthalat-2 = Ni(Phthalat) + log_k 3.000 #11GRI/COL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000Pyrophos-4 = Ni(Pyrophos)-2 + log_k 8.730 #05GAM/BUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.73E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000S2O3-2 = Ni(S2O3) + log_k 2.060 #51DEU/HEI in 64SIL/MAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.06E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000SO4-2 = Ni(SO4) + log_k 2.350 #05GAM/BUG + delta_h 5.660 #kJ/mol #05GAM/BUG + # Enthalpy of formation: -958.692 #kJ/mol + -analytic 3.34159E+0 0E+0 -2.95642E+2 0E+0 0E+0 + +1.000Ni+2 + 2.000SO4-2 = Ni(SO4)2-2 + log_k 3.010 #89BAE/McK + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.01E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000Scn- = Ni(Scn)+ + log_k 1.810 + delta_h -11.800 #kJ/mol #05GAM/BUG + # Enthalpy of formation: 9.588 #kJ/mol + -analytic -2.57268E-1 0E+0 6.16356E+2 0E+0 0E+0 + +1.000Ni+2 + 2.000Scn- = Ni(Scn)2 + log_k 2.690 + delta_h -21.000 #kJ/mol #05GAM/BUG + # Enthalpy of formation: 76.788 #kJ/mol + -analytic -9.89037E-1 0E+0 1.0969E+3 0E+0 0E+0 + +1.000Ni+2 + 3.000Scn- = Ni(Scn)3- + log_k 3.020 + delta_h -29.000 #kJ/mol #05GAM/BUG + # Enthalpy of formation: 145.188 #kJ/mol + -analytic -2.06057E+0 0E+0 1.51477E+3 0E+0 0E+0 + +1.000Ni+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Ni(SeCn)+ + log_k 57.790 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.779E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Ni(SeCn)2 + log_k 114.270 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.1427E+2 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000SeO4-2 = Ni(SeO4) + log_k 2.670 #05OLI/NOL + delta_h -0.675 #kJ/mol + # Enthalpy of formation: -659.187 #kJ/mol + -analytic 2.55175E+0 0E+0 3.52577E+1 0E+0 0E+0 + +2.000Ni+2 - 1.000H+ + 1.000H2O = Ni2(OH)+3 + log_k -10.600 #05GAM/BUG + delta_h 45.900 #kJ/mol #05GAM/BUG + # Enthalpy of formation: -349.954 #kJ/mol + -analytic -2.55868E+0 0E+0 -2.39752E+3 0E+0 0E+0 + +4.000Ni+2 - 4.000H+ + 4.000H2O = Ni4(OH)4+4 + log_k -27.520 #05GAM/BUG + delta_h 190.000 #kJ/mol #05GAM/BUG + # Enthalpy of formation: -1173.368 #kJ/mol + -analytic 5.76652E+0 0E+0 -9.92438E+3 0E+0 0E+0 + +1.000Ni+2 + 1.000Cl- = NiCl+ + log_k 0.080 #05GAM/BUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8E-2 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000F- = NiF+ + log_k 1.430 #05GAM/BUG + delta_h 9.500 #kJ/mol #05GAM/BUG + # Enthalpy of formation: -380.862 #kJ/mol + -analytic 3.09433E+0 0E+0 -4.96219E+2 0E+0 0E+0 + +1.000Ni+2 + 1.000H+ + 1.000AsO4-3 = NiHAsO4 + log_k 14.500 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.45E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000H+ + 1.000Pyrophos-4 = NiHPyrophos- + log_k 14.540 #05GAM/BUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.454E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Ni+2 + 1.000HS- = NiHS+ + log_k 5.500 #02HUM/BER + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.5E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 + 1.000Acetate- = Np(Acetate)+3 + log_k 5.830 #12GRI/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.83E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 + 2.000Acetate- = Np(Acetate)2+2 + log_k 10.000 #11RIC/GRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 - 3.000H+ + 1.000CO3-2 + 3.000H2O = Np(CO3)(OH)3- + log_k 3.820 #93ERI/NDA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.82E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Np+3 + 1.000CO3-2 = Np(CO3)+ + log_k 7.670 #Estimated by correlation with An(III) in function of ionic radii + delta_h 156.370 #kJ/mol + # Enthalpy of formation: -1046.044 #kJ/mol + -analytic 3.50648E+1 0E+0 -8.16776E+3 0E+0 0E+0 + +1.000Np+3 + 2.000CO3-2 = Np(CO3)2- + log_k 12.600 #Estimated by correlation with An(III) in function of ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Np+3 + 3.000CO3-2 = Np(CO3)3-3 + log_k 15.660 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.566E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 + 4.000CO3-2 = Np(CO3)4-4 + log_k 36.680 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.668E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 + 5.000CO3-2 = Np(CO3)5-6 + log_k 35.610 #01LEM/FUG + delta_h -1.612 #kJ/mol + # Enthalpy of formation: -3933.784 #kJ/mol + -analytic 3.53276E+1 0E+0 8.42005E+1 0E+0 0E+0 + +1.000Np+4 + 1.000Edta-4 = Np(Edta) + log_k 31.200 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.12E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Np+3 + 1.000Edta-4 = Np(Edta)- + log_k 19.900 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.99E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Np+3 - 2.000H+ + 2.000H2(PO4)- = Np(HPO4)2- + log_k -5.380 #Estimated by correlation with An(III) in function of ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.38E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 + 1.000NO3- = Np(NO3)+3 + log_k 1.900 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Np+3 + 1.000Nta-3 = Np(Nta) + log_k 13.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 + 1.000Nta-3 = Np(Nta)+ + log_k 20.700 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.07E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 + 2.000Nta-3 = Np(Nta)2-2 + log_k 36.300 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.63E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Np+3 - 1.000H+ + 1.000H2O = Np(OH)+2 + log_k -6.800 #01LEM/FUG + delta_h 77.089 #kJ/mol + # Enthalpy of formation: -735.925 #kJ/mol + -analytic 6.70539E+0 0E+0 -4.02663E+3 0E+0 0E+0 + +1.000Np+4 - 1.000H+ + 1.000H2O = Np(OH)+3 + log_k 0.550 #03GUI/FAN + delta_h 38.192 #kJ/mol + # Enthalpy of formation: -803.66 #kJ/mol + -analytic 7.24094E+0 0E+0 -1.9949E+3 0E+0 0E+0 + +1.000Np+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Np(OH)2(CO3)2-2 + log_k 15.170 #99RAI/HES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.517E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Np+3 - 2.000H+ + 2.000H2O = Np(OH)2+ + log_k -17.000 #80ALL/KIP + delta_h 155.529 #kJ/mol + # Enthalpy of formation: -943.315 #kJ/mol + -analytic 1.02475E+1 0E+0 -8.12383E+3 0E+0 0E+0 + +1.000Np+4 - 2.000H+ + 2.000H2O = Np(OH)2+2 + log_k 0.350 #03GUI/FAN + delta_h 54.530 #kJ/mol + # Enthalpy of formation: -1073.152 #kJ/mol + -analytic 9.90323E+0 0E+0 -2.8483E+3 0E+0 0E+0 + +1.000Np+3 - 3.000H+ + 3.000H2O = Np(OH)3 + log_k -27.000 #80ALL/KIP + delta_h 235.824 #kJ/mol + # Enthalpy of formation: -1148.85 #kJ/mol + -analytic 1.43145E+1 0E+0 -1.23179E+4 0E+0 0E+0 + +1.000Np+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Np(OH)3(HGlu) + log_k 3.270 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Np(OH)3(HIsa) + log_k 3.270 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Np(OH)3(HIsa)2- + log_k 5.380 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.38E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 - 3.000H+ + 3.000H2O = Np(OH)3+ + log_k -2.800 #01NEC/KIM, 99NEC + delta_h 74.932 #kJ/mol + # Enthalpy of formation: -1338.58 #kJ/mol + -analytic 1.03275E+1 0E+0 -3.91397E+3 0E+0 0E+0 + +1.000Np+4 - 4.000H+ + 4.000H2O = Np(OH)4 + log_k -8.300 #03GUI/FAN + delta_h 101.442 #kJ/mol + # Enthalpy of formation: -1597.9 #kJ/mol + -analytic 9.47185E+0 0E+0 -5.29868E+3 0E+0 0E+0 + +1.000Np+4 - 4.000H+ + 1.000CO3-2 + 4.000H2O = Np(OH)4(CO3)-2 + log_k -6.830 #93ERI/NDA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.83E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Np(OH)4(HGlu)- + log_k -3.700 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.7E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Np(OH)4(HIsa)- + log_k -4.060 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.06E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Np(OH)4(HIsa)2-2 + log_k -2.200 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.2E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 + 1.000Ox-2 = Np(Ox)+2 + log_k 11.160 #12GRI/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.116E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 + 2.000Ox-2 = Np(Ox)2 + log_k 19.940 #12GRI/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.994E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 + 3.000Ox-2 = Np(Ox)3-2 + log_k 25.190 #12GRI/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.519E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Np+3 - 4.000H+ + 2.000H2(PO4)- = Np(PO4)2-3 + log_k -19.570 #Estimated by correlation with An(III) in function of ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.957E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Np+3 + 1.000SO4-2 = Np(SO4)+ + log_k 3.860 #Estimated by correlation with An(III) in function of ionic radii + delta_h 17.889 #kJ/mol + # Enthalpy of formation: -1418.638 #kJ/mol + -analytic 6.99401E+0 0E+0 -9.34406E+2 0E+0 0E+0 + +1.000Np+4 + 1.000SO4-2 = Np(SO4)+2 + log_k 6.850 #01LEM/FUG + delta_h 29.840 #kJ/mol #01LEM/FUG + # Enthalpy of formation: -1435.522 #kJ/mol #01LEM/FUG + -analytic 1.20777E+1 0E+0 -1.55865E+3 0E+0 0E+0 + +1.000Np+4 + 2.000SO4-2 = Np(SO4)2 + log_k 11.050 #01LEM/FUG + delta_h 55.380 #kJ/mol #01LEM/FUG + # Enthalpy of formation: -2319.322 #kJ/mol + -analytic 2.07521E+1 0E+0 -2.89269E+3 0E+0 0E+0 + +1.000Np+3 + 2.000SO4-2 = Np(SO4)2- + log_k 5.560 #Estimated by correlation with An(III) in function of ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.56E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 + 1.000Br- = NpBr+3 + log_k 1.550 #Estimated by correlation with An(IV) in function of ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.55E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 + 1.000Cl- = NpCl+3 + log_k 1.500 #01LEM/FUG + delta_h 24.173 #kJ/mol + # Enthalpy of formation: -698.929 #kJ/mol + -analytic 5.73492E+0 0E+0 -1.26264E+3 0E+0 0E+0 + +1.000Np+4 + 1.000F- = NpF+3 + log_k 8.960 #01LEM/FUG + delta_h 1.500 #kJ/mol #01LEM/FUG + # Enthalpy of formation: -889.872 #kJ/mol + -analytic 9.22279E+0 0E+0 -7.83503E+1 0E+0 0E+0 + +1.000Np+4 + 2.000F- = NpF2+2 + log_k 15.700 #01LEM/FUG + delta_h 15.930 #kJ/mol + # Enthalpy of formation: -1210.792 #kJ/mol + -analytic 1.84908E+1 0E+0 -8.32081E+2 0E+0 0E+0 + +1.000Np+4 + 3.000F- = NpF3+ + log_k 20.050 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.005E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 + 4.000F- = NpF4 + log_k 25.950 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.595E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Np+3 - 1.000H+ + 1.000H2(PO4)- = NpHPO4+ + log_k -1.780 #Estimated by correlation with An(III) in function of ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Np+4 + 1.000I- = NpI+3 + log_k 1.500 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+ + 1.000Acetate- = NpO2(Acetate) + log_k 1.320 #11RIC/GRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.32E+0 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+ + 2.000Acetate- = NpO2(Acetate)2- + log_k 3.420 #09TAK/TAK + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.42E+0 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+ + 3.000Acetate- = NpO2(Acetate)3-2 + log_k 3.570 #09TAK/TAK + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.57E+0 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+2 + 1.000CO3-2 = NpO2(CO3) + log_k 9.320 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.32E+0 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+2 - 2.000H+ + 1.000CO3-2 + 2.000H2O = NpO2(CO3)(OH)2-2 + log_k -7.690 #99CHO/BRO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7.69E+0 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+ + 1.000CO3-2 = NpO2(CO3)- + log_k 4.960 #01LEM/FUG + delta_h 59.904 #kJ/mol + # Enthalpy of formation: -1593.507 #kJ/mol + -analytic 1.54547E+1 0E+0 -3.129E+3 0E+0 0E+0 + +1.000NpO2+2 + 2.000CO3-2 = NpO2(CO3)2-2 + log_k 16.520 #01LEM/FUG + delta_h 13.776 #kJ/mol + # Enthalpy of formation: -2197.417 #kJ/mol + -analytic 1.89334E+1 0E+0 -7.1957E+2 0E+0 0E+0 + +1.000NpO2+ + 2.000CO3-2 = NpO2(CO3)2-3 + log_k 6.530 #01LEM/FUG + delta_h 39.027 #kJ/mol + # Enthalpy of formation: -2289.614 #kJ/mol + -analytic 1.33672E+1 0E+0 -2.03852E+3 0E+0 0E+0 + +1.000NpO2+ - 1.000H+ + 2.000CO3-2 + 1.000H2O = NpO2(CO3)2OH-4 + log_k -5.310 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.31E+0 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+2 + 3.000CO3-2 = NpO2(CO3)3-4 + log_k 19.370 + delta_h -41.900 #kJ/mol + # Enthalpy of formation: -2928.323 #kJ/mol #01LEM/FUG + -analytic 1.20294E+1 0E+0 2.18859E+3 0E+0 0E+0 + +1.000NpO2+ + 3.000CO3-2 = NpO2(CO3)3-5 + log_k 5.500 + delta_h -13.249 #kJ/mol + # Enthalpy of formation: -3017.12 #kJ/mol #01LEM/FUG + -analytic 3.17888E+0 0E+0 6.92042E+2 0E+0 0E+0 + +1.000NpO2+ + 1.000Cit-3 = NpO2(Cit)-2 + log_k 3.680 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.68E+0 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+ + 1.000Edta-4 = NpO2(Edta)-3 + log_k 9.230 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.23E+0 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+ + 2.000H+ + 1.000Edta-4 = NpO2(H2Edta)- + log_k 22.510 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.251E+1 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+ + 1.000H+ + 1.000Edta-4 = NpO2(HEdta)-2 + log_k 17.060 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.706E+1 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+ + 1.000H+ + 1.000Nta-3 = NpO2(HNta)- + log_k 11.700 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.17E+1 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+2 - 1.000H+ + 1.000H2(PO4)- = NpO2(HPO4) + log_k -1.010 #01LEM/FUG + delta_h 92.209 #kJ/mol + # Enthalpy of formation: -2071.124 #kJ/mol + -analytic 1.51443E+1 0E+0 -4.8164E+3 0E+0 0E+0 + +1.000NpO2+2 - 2.000H+ + 2.000H2(PO4)- = NpO2(HPO4)2-2 + log_k -4.920 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.92E+0 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+2 + 1.000NO3- = NpO2(NO3)+ + log_k 0.100 #12GRI/GAR in analogy to UO2(NO3)+ + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1E-1 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+2 + 1.000Nta-3 = NpO2(Nta)- + log_k 11.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+ + 1.000Nta-3 = NpO2(Nta)-2 + log_k 7.460 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7.46E+0 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+ - 1.000H+ + 1.000H2O = NpO2(OH) + log_k -11.300 #01LEM/FUG + delta_h 64.785 #kJ/mol + # Enthalpy of formation: -1199.226 #kJ/mol + -analytic 4.98281E-2 0E+0 -3.38395E+3 0E+0 0E+0 + +1.000NpO2+ - 1.000H+ + 1.000Nta-3 + 1.000H2O = NpO2(OH)(Nta)-3 + log_k -4.700 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.7E+0 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+2 - 1.000H+ + 1.000H2O = NpO2(OH)+ + log_k -5.100 #01LEM/FUG + delta_h 42.957 #kJ/mol + # Enthalpy of formation: -1103.606 #kJ/mol + -analytic 2.42573E+0 0E+0 -2.2438E+3 0E+0 0E+0 + +1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 + log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+ - 2.000H+ + 2.000H2O = NpO2(OH)2- + log_k -23.600 #01LEM/FUG + delta_h 118.610 #kJ/mol + # Enthalpy of formation: -1431.23 #kJ/mol + -analytic -2.82045E+0 0E+0 -6.19542E+3 0E+0 0E+0 + +1.000NpO2+ + 1.000Ox-2 = NpO2(Ox)- + log_k 3.900 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+ + 2.000Ox-2 = NpO2(Ox)2-3 + log_k 5.800 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.8E+0 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+2 + 1.000SO4-2 = NpO2(SO4) + log_k 3.280 #01LEM/FUG + delta_h 16.700 #kJ/mol #01LEM/FUG + # Enthalpy of formation: -1753.373 #kJ/mol + -analytic 6.20571E+0 0E+0 -8.723E+2 0E+0 0E+0 + +1.000NpO2+ + 1.000SO4-2 = NpO2(SO4)- + log_k 0.440 #01LEM/FUG + delta_h 23.200 #kJ/mol #01LEM/FUG + # Enthalpy of formation: -1864.321 #kJ/mol + -analytic 4.50446E+0 0E+0 -1.21182E+3 0E+0 0E+0 + +1.000NpO2+2 + 2.000SO4-2 = NpO2(SO4)2-2 + log_k 4.700 #01LEM/FUG + delta_h 26.000 #kJ/mol #01LEM/FUG + # Enthalpy of formation: -2653.413 #kJ/mol + -analytic 9.255E+0 0E+0 -1.35807E+3 0E+0 0E+0 + +1.000NpO2+ + 1.000Cl- = NpO2Cl + log_k -0.930 #94NEC/KIM + delta_h 25.972 #kJ/mol + # Enthalpy of formation: -1119.289 #kJ/mol + -analytic 3.62009E+0 0E+0 -1.35661E+3 0E+0 0E+0 + +1.000NpO2+2 + 1.000Cl- = NpO2Cl+ + log_k 0.400 #01LEM/FUG + delta_h 8.387 #kJ/mol + # Enthalpy of formation: -1019.426 #kJ/mol + -analytic 1.86934E+0 0E+0 -4.38083E+2 0E+0 0E+0 + +1.000NpO2+ + 1.000F- = NpO2F + log_k 1.200 #01LEM/FUG + delta_h 40.768 #kJ/mol + # Enthalpy of formation: -1272.763 #kJ/mol + -analytic 8.34224E+0 0E+0 -2.12946E+3 0E+0 0E+0 + +1.000NpO2+2 + 1.000F- = NpO2F+ + log_k 4.570 #01LEM/FUG + delta_h 1.400 #kJ/mol + # Enthalpy of formation: -1194.683 #kJ/mol + -analytic 4.81527E+0 0E+0 -7.3127E+1 0E+0 0E+0 + +1.000NpO2+2 + 2.000F- = NpO2F2 + log_k 7.600 #01LEM/FUG + delta_h 4.321 #kJ/mol + # Enthalpy of formation: -1527.112 #kJ/mol + -analytic 8.35701E+0 0E+0 -2.25701E+2 0E+0 0E+0 + +1.000NpO2+2 + 1.000H2(PO4)- = NpO2H2PO4+ + log_k 3.320 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.32E+0 0E+0 0E+0 0E+0 0E+0 + +1.000NpO2+ - 1.000H+ + 1.000H2(PO4)- = NpO2HPO4- + log_k -4.260 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.26E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Np+3 - 2.000H+ + 1.000H2(PO4)- = NpPO4 + log_k -7.830 #Estimated by correlation with An(III) in function of ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7.83E+0 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000H2O = OH- + log_k -14.000 + delta_h 55.815 #kJ/mol + # Enthalpy of formation: -230.015 #kJ/mol #89COX/WAG + -analytic -4.22165E+0 0E+0 -2.91542E+3 0E+0 0E+0 + +- 2.000H+ + 1.000H2(PO4)- = PO4-3 + log_k -19.560 #89COX/WAG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: -1284.4 #kJ/mol #89COX/WAG + -analytic -1.956E+1 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000Pa+4 + 1.000H2O = Pa(OH)+3 + log_k 0.840 #76BAE/MES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.4E-1 0E+0 0E+0 0E+0 0E+0 + +- 2.000H+ + 1.000Pa+4 + 2.000H2O = Pa(OH)2+2 + log_k -0.020 #76BAE/MES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2E-2 0E+0 0E+0 0E+0 0E+0 + +- 3.000H+ + 1.000Pa+4 + 3.000H2O = Pa(OH)3+ + log_k -1.500 #76BAE/MES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000PaO2+ = PaO(OH)+2 + log_k 1.250 #Original data 03TRU/LEN and 04FOU/PER + delta_h -5.700 #kJ/mol #03TRU/LEN + # Enthalpy of formation: #kJ/mol + -analytic 2.51404E-1 0E+0 2.97731E+2 0E+0 0E+0 + +2.000H+ + 1.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)+ + log_k 5.130 #07GIA/TRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.13E+0 0E+0 0E+0 0E+0 0E+0 + +2.000H+ + 2.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)2- + log_k 8.240 #07GIA/TRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.24E+0 0E+0 0E+0 0E+0 0E+0 + +2.000H+ + 3.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)3-3 + log_k 9.830 #07GIA/TRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.83E+0 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000PaO2+ + 1.000H2O = PaO2(OH) + log_k -7.000 #Original data 03TRU/LEN and 04FOU/PER + delta_h 61.000 #kJ/mol #03TRU/LEN + # Enthalpy of formation: #kJ/mol + -analytic 3.68673E+0 0E+0 -3.18625E+3 0E+0 0E+0 + +- 2.000H+ + 1.000PaO2+ + 2.000H2O = PaO2(OH)2- + log_k -16.400 #04FOU/PER + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.64E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pb+2 + 1.000B(OH)4- = Pb(B(OH)4)+ + log_k 5.200 #80BAS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.2E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pb+2 + 3.000B(OH)4- = Pb(B(OH)4)3- + log_k 11.180 #80BAS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.118E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pb+2 + 1.000CO3-2 = Pb(CO3) + log_k 7.000 #06BLA/PIA + delta_h -3.015 #kJ/mol + # Enthalpy of formation: -677.325 #kJ/mol + -analytic 6.4718E+0 0E+0 1.57484E+2 0E+0 0E+0 + +1.000Pb+2 + 2.000CO3-2 = Pb(CO3)2-2 + log_k 10.130 #99LOT/OCH + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.013E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pb+2 + 1.000H2(PO4)- = Pb(H2PO4)+ + log_k 1.500 #74NRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pb+2 + 2.000HS- = Pb(HS)2 + log_k 15.010 #06BLA/PIA + delta_h -65.579 #kJ/mol + # Enthalpy of formation: -97.259 #kJ/mol + -analytic 3.52107E+0 0E+0 3.42542E+3 0E+0 0E+0 + +1.000Pb+2 + 3.000HS- = Pb(HS)3- + log_k 16.260 #06BLA/PIA + delta_h -73.328 #kJ/mol + # Enthalpy of formation: -121.308 #kJ/mol + -analytic 3.4135E+0 0E+0 3.83018E+3 0E+0 0E+0 + +1.000Pb+2 + 1.000NO3- = Pb(NO3)+ + log_k 1.060 #99LOT/OCH + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.06E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pb+2 + 2.000NO3- = Pb(NO3)2 + log_k 1.480 #99LOT/OCH + delta_h -11.012 #kJ/mol + # Enthalpy of formation: 401.768 #kJ/mol + -analytic -4.49217E-1 0E+0 5.75196E+2 0E+0 0E+0 + +1.000Pb+2 - 1.000H+ + 1.000H2O = Pb(OH)+ + log_k -7.510 #99LOT/OCH + delta_h 53.920 #kJ/mol + # Enthalpy of formation: -230.99 #kJ/mol + -analytic 1.93636E+0 0E+0 -2.81643E+3 0E+0 0E+0 + +1.000Pb+2 - 2.000H+ + 2.000H2O = Pb(OH)2 + log_k -16.950 #99LOT/OCH + delta_h 97.824 #kJ/mol + # Enthalpy of formation: -472.916 #kJ/mol + -analytic 1.88004E-1 0E+0 -5.1097E+3 0E+0 0E+0 + +1.000Pb+2 - 3.000H+ + 3.000H2O = Pb(OH)3- + log_k -27.200 #01PER/HEF + delta_h 130.485 #kJ/mol + # Enthalpy of formation: -726.085 #kJ/mol + -analytic -4.34004E+0 0E+0 -6.8157E+3 0E+0 0E+0 + +1.000Pb+2 - 4.000H+ + 4.000H2O = Pb(OH)4-2 + log_k -38.900 #01PER/HEF + delta_h 197.474 #kJ/mol + # Enthalpy of formation: -944.926 #kJ/mol + -analytic -4.30409E+0 0E+0 -1.03148E+4 0E+0 0E+0 + +1.000Pb+2 + 1.000SO4-2 = Pb(SO4) + log_k 2.820 #99LOT/OCH + delta_h 6.861 #kJ/mol + # Enthalpy of formation: -901.559 #kJ/mol + -analytic 4.02199E+0 0E+0 -3.58374E+2 0E+0 0E+0 + +1.000Pb+2 + 2.000SO4-2 = Pb(SO4)2-2 + log_k 3.470 #97MAR/SMI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.47E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pb+2 + 1.000SeO3-2 = Pb(SeO3) + log_k 5.730 #01SEB/POT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.73E+0 0E+0 0E+0 0E+0 0E+0 + +2.000Pb+2 - 1.000H+ + 1.000H2O = Pb2(OH)+3 + log_k -7.180 #99LOT/OCH + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7.18E+0 0E+0 0E+0 0E+0 0E+0 + +4.000Pb+2 - 4.000H+ + 4.000H2O = Pb4(OH)4+4 + log_k -20.630 #99LOT/OCH + delta_h 82.038 #kJ/mol + # Enthalpy of formation: -1057.602 #kJ/mol + -analytic -6.25758E+0 0E+0 -4.28514E+3 0E+0 0E+0 + +6.000Pb+2 - 8.000H+ + 8.000H2O = Pb6(OH)8+4 + log_k -42.680 #99LOT/OCH + delta_h 192.157 #kJ/mol + # Enthalpy of formation: -2088.963 #kJ/mol + -analytic -9.01559E+0 0E+0 -1.0037E+4 0E+0 0E+0 + +1.000Pb+2 + 1.000Br- = PbBr+ + log_k 1.700 #82H¿G + delta_h 4.228 #kJ/mol + # Enthalpy of formation: -116.262 #kJ/mol + -analytic 2.44071E+0 0E+0 -2.20843E+2 0E+0 0E+0 + +1.000Pb+2 + 2.000Br- = PbBr2 + log_k 1.900 #82H¿G + delta_h 10.991 #kJ/mol + # Enthalpy of formation: -230.909 #kJ/mol + -analytic 3.82554E+0 0E+0 -5.74099E+2 0E+0 0E+0 + +1.000Pb+2 + 3.000Br- = PbBr3- + log_k 2.900 #82H¿G + delta_h 10.653 #kJ/mol + # Enthalpy of formation: -352.657 #kJ/mol + -analytic 4.76632E+0 0E+0 -5.56444E+2 0E+0 0E+0 + +1.000Pb+2 + 1.000Cl- = PbCl+ + log_k 1.440 #97SVE/SHO + delta_h 4.318 #kJ/mol + # Enthalpy of formation: -161.842 #kJ/mol + -analytic 2.19648E+0 0E+0 -2.25545E+2 0E+0 0E+0 + +1.000Pb+2 + 2.000Cl- = PbCl2 + log_k 2.000 #97SVE/SHO + delta_h 7.949 #kJ/mol + # Enthalpy of formation: -325.291 #kJ/mol + -analytic 3.3926E+0 0E+0 -4.15205E+2 0E+0 0E+0 + +1.000Pb+2 + 3.000Cl- = PbCl3- + log_k 1.690 #97SVE/SHO + delta_h 7.813 #kJ/mol + # Enthalpy of formation: -492.507 #kJ/mol + -analytic 3.05878E+0 0E+0 -4.08101E+2 0E+0 0E+0 + +1.000Pb+2 + 4.000Cl- = PbCl4-2 + log_k 1.400 #97SVE/SHO + delta_h 1.323 #kJ/mol + # Enthalpy of formation: -666.077 #kJ/mol + -analytic 1.63178E+0 0E+0 -6.9105E+1 0E+0 0E+0 + +1.000Pb+2 + 1.000F- = PbF+ + log_k 2.270 #99LOT/OCH + delta_h -4.054 #kJ/mol + # Enthalpy of formation: -338.484 #kJ/mol + -analytic 1.55977E+0 0E+0 2.11755E+2 0E+0 0E+0 + +1.000Pb+2 + 2.000F- = PbF2 + log_k 3.010 #99LOT/OCH + delta_h -8.881 #kJ/mol + # Enthalpy of formation: -678.661 #kJ/mol + -analytic 1.45412E+0 0E+0 4.63886E+2 0E+0 0E+0 + +1.000Pb+2 - 1.000H+ + 1.000H2(PO4)- = PbHPO4 + log_k -4.110 #74NRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.11E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pb+2 + 1.000I- = PbI+ + log_k 1.980 #82H¿G + delta_h 3.874 #kJ/mol + # Enthalpy of formation: -51.986 #kJ/mol + -analytic 2.65869E+0 0E+0 -2.02353E+2 0E+0 0E+0 + +1.000Pb+2 + 2.000I- = PbI2 + log_k 3.150 #82H¿G + delta_h 7.106 #kJ/mol + # Enthalpy of formation: -105.534 #kJ/mol + -analytic 4.39492E+0 0E+0 -3.71172E+2 0E+0 0E+0 + +1.000Pb+2 + 3.000I- = PbI3- + log_k 3.810 #82H¿G + delta_h 3.163 #kJ/mol + # Enthalpy of formation: -166.257 #kJ/mol + -analytic 4.36413E+0 0E+0 -1.65215E+2 0E+0 0E+0 + +1.000Pb+2 + 4.000I- = PbI4-2 + log_k 3.750 #82H¿G + delta_h -15.561 #kJ/mol + # Enthalpy of formation: -241.761 #kJ/mol + -analytic 1.02383E+0 0E+0 8.12806E+2 0E+0 0E+0 + +1.000Pb+2 + 1.000Pyrophos-4 = PbPyrophos-2 + log_k 8.330 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.33E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pd+2 + 1.000CO3-2 = Pd(CO3) + log_k 6.830 #87BRO/WAN + delta_h -8.829 #kJ/mol + # Enthalpy of formation: -494.175 #kJ/mol + -analytic 5.28323E+0 0E+0 4.6117E+2 0E+0 0E+0 + +1.000Pd+2 + 2.000CO3-2 = Pd(CO3)2-2 + log_k 12.530 #87BRO/WAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.253E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pd+2 + 1.000NH3 = Pd(NH3)+2 + log_k 9.600 #68RAS/JOR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.6E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pd+2 + 2.000NH3 = Pd(NH3)2+2 + log_k 18.500 #68RAS/JOR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.85E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pd+2 + 3.000NH3 = Pd(NH3)3+2 + log_k 26.000 #68RAS/JOR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.6E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pd+2 + 4.000NH3 = Pd(NH3)4+2 + log_k 32.800 #68RAS/JOR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.28E+1 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000Pd+2 + 1.000H2O = Pd(OH)+ + log_k -1.860 #70NAB/KAL + delta_h 11.900 #kJ/mol + # Enthalpy of formation: -84.047 #kJ/mol + -analytic 2.24787E-1 0E+0 -6.21579E+2 0E+0 0E+0 + +- 2.000H+ + 1.000Pd+2 + 2.000H2O = Pd(OH)2 + log_k -3.790 #70NAB/KAL + delta_h 15.293 #kJ/mol + # Enthalpy of formation: -366.483 #kJ/mol + -analytic -1.11079E+0 0E+0 -7.98808E+2 0E+0 0E+0 + +- 3.000H+ + 1.000Pd+2 + 3.000H2O = Pd(OH)3- + log_k -15.930 #70NAB/KAL + delta_h 54.863 #kJ/mol + # Enthalpy of formation: -612.744 #kJ/mol + -analytic -6.31843E+0 0E+0 -2.86569E+3 0E+0 0E+0 + +- 4.000H+ + 1.000Pd+2 + 4.000H2O = Pd(OH)4-2 + log_k -29.360 #70NAB/KAL + delta_h 118.563 #kJ/mol + # Enthalpy of formation: -834.874 #kJ/mol + -analytic -8.58868E+0 0E+0 -6.19297E+3 0E+0 0E+0 + +1.000Pd+2 + 1.000SO4-2 = Pd(SO4) + log_k 2.910 #87BRO/WAN + delta_h 4.596 #kJ/mol + # Enthalpy of formation: -714.86 #kJ/mol + -analytic 3.71518E+0 0E+0 -2.40065E+2 0E+0 0E+0 + +1.000Pd+2 + 2.000SO4-2 = Pd(SO4)2-2 + log_k 4.170 #82HOG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.17E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pd+2 + 1.000Br- = PdBr+ + log_k 5.770 #72ELD + delta_h -30.140 #kJ/mol + # Enthalpy of formation: 38.344 #kJ/mol + -analytic 4.89706E-1 0E+0 1.57432E+3 0E+0 0E+0 + +1.000Pd+2 + 2.000Br- = PdBr2 + log_k 10.060 #72ELD + delta_h -57.708 #kJ/mol + # Enthalpy of formation: -110.645 #kJ/mol + -analytic -4.99928E-2 0E+0 3.01429E+3 0E+0 0E+0 + +1.000Pd+2 + 3.000Br- = PdBr3- + log_k 13.750 #72ELD + delta_h -92.385 #kJ/mol + # Enthalpy of formation: -266.731 #kJ/mol + -analytic -2.43513E+0 0E+0 4.8256E+3 0E+0 0E+0 + +1.000Pd+2 + 4.000Br- = PdBr4-2 + log_k 15.110 #72ELD + delta_h -126.683 #kJ/mol + # Enthalpy of formation: -422.439 #kJ/mol + -analytic -7.08388E+0 0E+0 6.6171E+3 0E+0 0E+0 + +1.000Pd+2 + 1.000Cl- = PdCl+ + log_k 5.100 #99LOT/OCH + delta_h -24.542 #kJ/mol + # Enthalpy of formation: -1.739 #kJ/mol + -analytic 8.00432E-1 0E+0 1.28192E+3 0E+0 0E+0 + +1.000Pd+2 + 2.000Cl- = PdCl2 + log_k 8.300 #99LOT/OCH + delta_h -47.297 #kJ/mol + # Enthalpy of formation: -191.573 #kJ/mol + -analytic 1.39334E-2 0E+0 2.47049E+3 0E+0 0E+0 + +- 1.000H+ + 1.000Pd+2 + 3.000Cl- + 1.000H2O = PdCl3(OH)-2 + log_k 2.310 #00BYR/YAO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.31E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pd+2 + 3.000Cl- = PdCl3- + log_k 10.900 #99LOT/OCH + delta_h -77.344 #kJ/mol + # Enthalpy of formation: -388.7 #kJ/mol + -analytic -2.65007E+0 0E+0 4.03995E+3 0E+0 0E+0 + +1.000Pd+2 + 4.000Cl- = PdCl4-2 + log_k 11.700 #99LOT/OCH + delta_h -112.469 #kJ/mol + # Enthalpy of formation: -590.906 #kJ/mol + -analytic -8.00369E+0 0E+0 5.87466E+3 0E+0 0E+0 + +1.000Pd+2 + 1.000I- = PdI+ + log_k 10.400 #89BAE/McK + delta_h -58.201 #kJ/mol + # Enthalpy of formation: 74.902 #kJ/mol + -analytic 2.03637E-1 0E+0 3.04005E+3 0E+0 0E+0 + +1.000Pd+2 + 2.000I- = PdI2 + log_k 14.500 #97BOU + delta_h -83.420 #kJ/mol + # Enthalpy of formation: -7.096 #kJ/mol + -analytic -1.14535E-1 0E+0 4.35732E+3 0E+0 0E+0 + +1.000Pd+2 + 3.000I- = PdI3- + log_k 18.600 #97BOU + delta_h -121.750 #kJ/mol + # Enthalpy of formation: -102.207 #kJ/mol + -analytic -2.72965E+0 0E+0 6.35944E+3 0E+0 0E+0 + +1.000Pd+2 + 4.000I- = PdI4-2 + log_k 24.640 + delta_h -190.052 #kJ/mol + # Enthalpy of formation: -227.288 #kJ/mol + -analytic -8.65563E+0 0E+0 9.92709E+3 0E+0 0E+0 + +1.000Pu+3 + 1.000Acetate- = Pu(Acetate)+2 + log_k 2.850 #69MOS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.85E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 + 1.000Acetate- = Pu(Acetate)+3 + log_k 5.930 #62SCH/NEB + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 + 2.000Acetate- = Pu(Acetate)2+ + log_k 5.060 #69MOS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.06E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 + 2.000Acetate- = Pu(Acetate)2+2 + log_k 10.090 #62SCH/NEB + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.009E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 + 3.000Acetate- = Pu(Acetate)3 + log_k 6.570 #69MOS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.57E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 + 1.000CO3-2 = Pu(CO3)+ + log_k 7.640 #Estimated by correlation with An(III) in function of ionic radii + delta_h 152.754 #kJ/mol + # Enthalpy of formation: -1114.266 #kJ/mol + -analytic 3.44013E+1 0E+0 -7.97889E+3 0E+0 0E+0 + +1.000Pu+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Pu(CO3)2(OH)2-2 + log_k 16.760 #99RAI/HES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.676E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 + 2.000CO3-2 = Pu(CO3)2- + log_k 12.540 #Estimated by correlation with An(III) in function of ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.254E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 + 3.000CO3-2 = Pu(CO3)3-3 + log_k 16.400 #Estimated by correlation with An(III) in function of ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.64E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 + 4.000CO3-2 = Pu(CO3)4-4 + log_k 37.000 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.7E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 + 5.000CO3-2 = Pu(CO3)5-6 + log_k 35.650 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.565E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 + 1.000Edta-4 = Pu(Edta) + log_k 31.800 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.18E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 + 1.000Edta-4 = Pu(Edta)- + log_k 20.180 #05HUM/AND + delta_h -8.700 #kJ/mol + # Enthalpy of formation: -2305.29 #kJ/mol + -analytic 1.86558E+1 0E+0 4.54432E+2 0E+0 0E+0 + +1.000Pu+3 + 1.000H2(PO4)- = Pu(H2PO4)+2 + log_k 2.200 #10RAI/MOO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 + 1.000H+ + 1.000Edta-4 = Pu(HEdta) + log_k 22.020 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.202E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 - 1.000H+ + 1.000H2(PO4)- = Pu(HPO4)+ + log_k -1.820 #Estimated by correlation with An(III) in function of ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.82E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 - 2.000H+ + 2.000H2(PO4)- = Pu(HPO4)2- + log_k -5.460 #Estimated by correlation with An(III) in function of ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.46E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 + 1.000NO3- = Pu(NO3)+2 + log_k 1.330 #95SIL/BID, LogK selected in analogy to Am (NEA recommendation 95SIL/BID) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 + 1.000NO3- = Pu(NO3)+3 + log_k 1.950 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.95E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 + 1.000Nta-3 = Pu(Nta) + log_k 13.100 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.31E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 + 1.000Nta-3 = Pu(Nta)+ + log_k 21.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.1E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 - 1.000H+ + 1.000H2O = Pu(OH)+2 + log_k -6.900 #01LEM/FUG + delta_h 78.274 #kJ/mol + # Enthalpy of formation: -799.346 #kJ/mol + -analytic 6.813E+0 0E+0 -4.08853E+3 0E+0 0E+0 + +1.000Pu+4 - 1.000H+ + 1.000H2O = Pu(OH)+3 + log_k 0.600 #99NEC, 01NEC/KIM, 03GUI/FAN + delta_h 36.000 #kJ/mol #01LEM/FUG + # Enthalpy of formation: -789.725 #kJ/mol + -analytic 6.90692E+0 0E+0 -1.88041E+3 0E+0 0E+0 + +1.000Pu+3 - 2.000H+ + 2.000H2O = Pu(OH)2+ + log_k -15.900 #80ALL/KIP + delta_h 150.342 #kJ/mol + # Enthalpy of formation: -1013.108 #kJ/mol + -analytic 1.04387E+1 0E+0 -7.8529E+3 0E+0 0E+0 + +1.000Pu+4 - 2.000H+ + 2.000H2O = Pu(OH)2+2 + log_k 0.600 #99NEC, 01NEC/KIM, 03GUI/FAN + delta_h 49.569 #kJ/mol + # Enthalpy of formation: -1061.986 #kJ/mol + -analytic 9.2841E+0 0E+0 -2.58917E+3 0E+0 0E+0 + +1.000Pu+3 - 3.000H+ + 3.000H2O = Pu(OH)3 + log_k -25.300 #80ALL/KIP + delta_h 227.540 #kJ/mol + # Enthalpy of formation: -1221.74 #kJ/mol + -analytic 1.45632E+1 0E+0 -1.18852E+4 0E+0 0E+0 + +1.000Pu+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Pu(OH)3(HGlu) + log_k 4.750 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.75E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Pu(OH)3(HIsa) + log_k 4.750 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.75E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Pu(OH)3(HIsa)2- + log_k 6.860 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.86E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 - 3.000H+ + 3.000H2O = Pu(OH)3+ + log_k -2.300 #99NEC, 01NEC/KIM, 03GUI/FAN + delta_h 68.543 #kJ/mol + # Enthalpy of formation: -1328.842 #kJ/mol + -analytic 9.7082E+0 0E+0 -3.58024E+3 0E+0 0E+0 + +1.000Pu+4 - 4.000H+ + 4.000H2O = Pu(OH)4 + log_k -8.500 #03GUI/FAN + delta_h 99.049 #kJ/mol + # Enthalpy of formation: -1584.166 #kJ/mol + -analytic 8.85261E+0 0E+0 -5.17368E+3 0E+0 0E+0 + +1.000Pu+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Pu(OH)4(HGlu)- + log_k -2.700 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.7E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Pu(OH)4(HIsa)- + log_k -3.600 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.6E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Pu(OH)4(HIsa)2-2 + log_k 0.700 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 + 1.000Ox-2 = Pu(Ox)+2 + log_k 11.400 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.14E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 + 2.000Ox-2 = Pu(Ox)2 + log_k 20.600 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 + 2.000Ox-2 = Pu(Ox)2- + log_k 10.620 #12GRI/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.062E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 + 3.000Ox-2 = Pu(Ox)3-2 + log_k 25.690 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.569E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 + 3.000Ox-2 = Pu(Ox)3-3 + log_k 13.220 #12GRI/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.322E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 - 4.000H+ + 2.000H2(PO4)- = Pu(PO4)2-3 + log_k -19.730 #Estimated by correlation with An(III) in function of ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.973E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 + 1.000SO4-2 = Pu(SO4)+ + log_k 3.910 #01LEM/FUG + delta_h 17.240 #kJ/mol #01LEM/FUG + # Enthalpy of formation: -1483.89 #kJ/mol + -analytic 6.93031E+0 0E+0 -9.00507E+2 0E+0 0E+0 + +1.000Pu+4 + 1.000SO4-2 = Pu(SO4)+2 + log_k 6.890 #01LEM/FUG + delta_h 13.753 #kJ/mol + # Enthalpy of formation: -1435.482 #kJ/mol + -analytic 9.29942E+0 0E+0 -7.18368E+2 0E+0 0E+0 + +1.000Pu+4 + 2.000SO4-2 = Pu(SO4)2 + log_k 11.140 #01LEM/FUG + delta_h 43.906 #kJ/mol + # Enthalpy of formation: -2314.669 #kJ/mol + -analytic 1.8832E+1 0E+0 -2.29337E+3 0E+0 0E+0 + +1.000Pu+3 + 2.000SO4-2 = Pu(SO4)2- + log_k 5.700 #01LEM/FUG + delta_h 11.880 #kJ/mol #01LEM/FUG + # Enthalpy of formation: -2398.59 #kJ/mol + -analytic 7.78128E+0 0E+0 -6.20535E+2 0E+0 0E+0 + +1.000Pu+4 + 1.000Br- = PuBr+3 + log_k 1.600 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.6E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 + 1.000Cl- = PuCl+3 + log_k 1.800 #01LEM/FUG + delta_h 19.820 #kJ/mol + # Enthalpy of formation: -687.155 #kJ/mol + -analytic 5.27231E+0 0E+0 -1.03527E+3 0E+0 0E+0 + +1.000Pu+4 + 1.000F- = PuF+3 + log_k 8.840 #01LEM/FUG + delta_h 9.100 #kJ/mol #01LEM/FUG + # Enthalpy of formation: -866.145 #kJ/mol + -analytic 1.04342E+1 0E+0 -4.75325E+2 0E+0 0E+0 + +1.000Pu+4 + 2.000F- = PuF2+2 + log_k 15.700 #01LEM/FUG + delta_h 11.000 #kJ/mol #01LEM/FUG + # Enthalpy of formation: -1199.595 #kJ/mol + -analytic 1.76271E+1 0E+0 -5.74569E+2 0E+0 0E+0 + +1.000Pu+4 + 3.000F- = PuF3+ + log_k 20.110 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.011E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 + 1.000H+ + 1.000H2(PO4)- = PuH3PO4+4 + log_k 4.540 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.54E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 + 1.000I- = PuI+2 + log_k 1.100 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.1E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+4 + 1.000I- = PuI+3 + log_k 1.620 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.62E+0 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+2 + 1.000Acetate- = PuO2(Acetate)+ + log_k 2.870 #11RIC/GRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.87E+0 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+2 + 2.000Acetate- = PuO2(Acetate)2 + log_k 4.770 #11RIC/GRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.77E+0 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+2 + 3.000Acetate- = PuO2(Acetate)3- + log_k 6.190 #11RIC/GRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.19E+0 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+2 + 1.000CO3-2 = PuO2(CO3) + log_k 9.500 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.5E+0 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+2 + 2.000CO3-2 = PuO2(CO3)2-2 + log_k 14.700 #03GUI/FAN + delta_h -27.000 #kJ/mol #03GUI/FAN + # Enthalpy of formation: -2199.496 #kJ/mol + -analytic 9.96981E+0 0E+0 1.41031E+3 0E+0 0E+0 + +1.000PuO2+2 + 3.000CO3-2 = PuO2(CO3)3-4 + log_k 18.000 #03GUI/FAN + delta_h -38.600 #kJ/mol #03GUI/FAN + # Enthalpy of formation: -2886.326 #kJ/mol + -analytic 1.12376E+1 0E+0 2.01622E+3 0E+0 0E+0 + +1.000PuO2+ + 3.000CO3-2 = PuO2(CO3)3-5 + log_k 5.030 + delta_h -19.110 #kJ/mol #01LEM/FUG + # Enthalpy of formation: -2954.927 #kJ/mol + -analytic 1.68208E+0 0E+0 9.98183E+2 0E+0 0E+0 + +2.000UO2+2 + 1.000PuO2+2 + 6.000CO3-2 = PuO2(CO3)6(UO2)2-6 + log_k 53.480 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.348E+1 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+ - 1.000H+ + 1.000H2(PO4)- = PuO2(HPO4)- + log_k -4.860 #NEA Guidelines in 01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.86E+0 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+2 + 1.000Nta-3 = PuO2(Nta)- + log_k 11.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+ + 1.000Nta-3 = PuO2(Nta)-2 + log_k 7.500 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+2 - 1.000H+ + 1.000H2O = PuO2(OH)+ + log_k -5.500 #01LEM/FUG + delta_h 28.000 #kJ/mol #01LEM/FUG + # Enthalpy of formation: -1079.866 #kJ/mol + -analytic -5.94618E-1 0E+0 -1.46254E+3 0E+0 0E+0 + +1.000PuO2+2 - 2.000H+ + 2.000H2O = PuO2(OH)2 + log_k -13.200 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.32E+1 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+2 - 1.000H+ + 1.000H4(SiO4) = PuO2(OSi(OH)3)+ + log_k -3.640 #03YUS/FED + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.64E+0 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+2 + 1.000Ox-2 = PuO2(Ox) + log_k 7.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7E+0 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+2 + 2.000Ox-2 = PuO2(Ox)2-2 + log_k 10.500 #73POR/PAO in 96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.05E+1 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+2 + 1.000Phthalat-2 = PuO2(Phthalat) + log_k 5.760 #11GRI/COL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.76E+0 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+2 + 1.000SO4-2 = PuO2(SO4) + log_k 3.380 #01LEM/FUG + delta_h 16.100 #kJ/mol #01LEM/FUG + # Enthalpy of formation: -1715.276 #kJ/mol + -analytic 6.20059E+0 0E+0 -8.4096E+2 0E+0 0E+0 + +1.000PuO2+ + 1.000SO4-2 = PuO2(SO4)- + log_k 0.440 #Duro et al. (2006), In analogy to NpO2(SO4)- + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.4E-1 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+2 + 2.000SO4-2 = PuO2(SO4)2-2 + log_k 4.400 #01LEM/FUG + delta_h 43.000 #kJ/mol #01LEM/FUG + # Enthalpy of formation: -2597.716 #kJ/mol + -analytic 1.19333E+1 0E+0 -2.24604E+3 0E+0 0E+0 + +1.000PuO2+ + 1.000CO3-2 = PuO2CO3- + log_k 5.120 #01LEM/FUG + delta_h 44.874 #kJ/mol + # Enthalpy of formation: -1540.483 #kJ/mol + -analytic 1.29816E+1 0E+0 -2.34393E+3 0E+0 0E+0 + +1.000PuO2+2 + 1.000Cl- = PuO2Cl+ + log_k 0.230 #03GUI/FAN + delta_h 4.187 #kJ/mol + # Enthalpy of formation: -984.929 #kJ/mol + -analytic 9.6353E-1 0E+0 -2.18702E+2 0E+0 0E+0 + +1.000PuO2+2 + 2.000Cl- = PuO2Cl2 + log_k -1.150 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.15E+0 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+ + 1.000F- = PuO2F + log_k 1.200 #In analogy to NpO2)F + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.2E+0 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+2 + 1.000F- = PuO2F+ + log_k 4.560 #01LEM/FUG + delta_h -3.653 #kJ/mol + # Enthalpy of formation: -1161.039 #kJ/mol + -analytic 3.92002E+0 0E+0 1.90809E+2 0E+0 0E+0 + +1.000PuO2+2 + 2.000F- = PuO2F2 + log_k 7.250 #01LEM/FUG + delta_h 1.208 #kJ/mol + # Enthalpy of formation: -1491.528 #kJ/mol + -analytic 7.46163E+0 0E+0 -6.30981E+1 0E+0 0E+0 + +1.000PuO2+2 + 3.000F- = PuO2F3- + log_k 9.590 #85SAW/CHA + delta_h 2.401 #kJ/mol + # Enthalpy of formation: -1825.685 #kJ/mol + -analytic 1.00106E+1 0E+0 -1.25413E+2 0E+0 0E+0 + +1.000PuO2+2 + 1.000NO3- = PuO2NO3+ + log_k 0.100 #12GRI/GAR (LogK selected in analogy to U (NEA recommendation), logK(UO2NO3 +)) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1E-1 0E+0 0E+0 0E+0 0E+0 + +1.000PuO2+ - 1.000H+ + 1.000H2O = PuO2OH + log_k -11.300 #01LEM/FUG + delta_h 71.826 #kJ/mol + # Enthalpy of formation: -1124.131 #kJ/mol + -analytic 1.28336E+0 0E+0 -3.75173E+3 0E+0 0E+0 + +1.000Pu+3 + 1.000Ox-2 = PuOx+ + log_k 6.490 #12GRI/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.49E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Pu+3 - 2.000H+ + 1.000H2(PO4)- = PuPO4 + log_k -7.920 #Estimated by correlation with An(III) in function of ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7.92E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Ra+2 + 1.000CO3-2 = Ra(CO3) + log_k 2.500 #99SCH + delta_h 4.496 #kJ/mol + # Enthalpy of formation: -1198.76 #kJ/mol + -analytic 3.28766E+0 0E+0 -2.34842E+2 0E+0 0E+0 + +1.000H+ + 1.000Ra+2 + 1.000CO3-2 = Ra(HCO3)+ + log_k 10.920 #01ILE/TWE + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.092E+1 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000Ra+2 + 1.000H2O = Ra(OH)+ + log_k -13.490 + delta_h 60.417 #kJ/mol #85LAN/RIE + # Enthalpy of formation: -753.438 #kJ/mol + -analytic -2.90541E+0 0E+0 -3.1558E+3 0E+0 0E+0 + +- 2.000H+ + 1.000Ra+2 + 2.000H2O = Ra(OH)2 + log_k -28.070 + delta_h 112.197 #kJ/mol + # Enthalpy of formation: -987.488 #kJ/mol + -analytic -8.41396E+0 0E+0 -5.86045E+3 0E+0 0E+0 + +1.000Ra+2 + 1.000SO4-2 = Ra(SO4) + log_k 2.760 + delta_h 5.481 #kJ/mol + # Enthalpy of formation: -1431.884 #kJ/mol + -analytic 3.72023E+0 0E+0 -2.86292E+2 0E+0 0E+0 + +1.000Ra+2 + 1.000Cl- = RaCl+ + log_k -0.100 #85LAN/RIE + delta_h 2.479 #kJ/mol + # Enthalpy of formation: -692.626 #kJ/mol + -analytic 3.34302E-1 0E+0 -1.29487E+2 0E+0 0E+0 + +1.000Ra+2 + 2.000Cl- = RaCl2 + log_k -0.100 + delta_h 0.496 #kJ/mol + # Enthalpy of formation: -861.689 #kJ/mol + -analytic -1.31047E-2 0E+0 -2.59078E+1 0E+0 0E+0 + +1.000Ra+2 + 1.000F- = RaF+ + log_k 0.480 #87BRO/WAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.8E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Br- + 1.000Rb+ = RbBr + log_k -1.240 + delta_h 13.836 #kJ/mol + # Enthalpy of formation: -358.694 #kJ/mol #97SVE/SHO + -analytic 1.18396E+0 0E+0 -7.22704E+2 0E+0 0E+0 + +1.000Cl- + 1.000Rb+ = RbCl + log_k -1.010 + delta_h 13.189 #kJ/mol + # Enthalpy of formation: -405.011 #kJ/mol #97SVE/SHO + -analytic 1.30061E+0 0E+0 -6.88908E+2 0E+0 0E+0 + +1.000F- + 1.000Rb+ = RbF + log_k 0.940 + delta_h 1.923 #kJ/mol + # Enthalpy of formation: -584.547 #kJ/mol #97SVE/SHO + -analytic 1.27689E+0 0E+0 -1.00445E+2 0E+0 0E+0 + +1.000I- + 1.000Rb+ = RbI + log_k -0.840 + delta_h 6.987 #kJ/mol + # Enthalpy of formation: -300.913 #kJ/mol #97SVE/SHO + -analytic 3.84068E-1 0E+0 -3.64956E+2 0E+0 0E+0 + +- 1.000H+ + 1.000Rb+ + 1.000H2O = RbOH + log_k -14.260 + delta_h 64.158 #kJ/mol + # Enthalpy of formation: -472.792 #kJ/mol #97SHO/SAS + -analytic -3.02002E+0 0E+0 -3.3512E+3 0E+0 0E+0 + +- 1.000H+ + 1.000HS- = S-2 + log_k -17.100 #04CHI + delta_h 73.278 #kJ/mol + # Enthalpy of formation: 56.978 #kJ/mol + -analytic -4.26226E+0 0E+0 -3.82757E+3 0E+0 0E+0 + +2.000HS- - 1.000H2O + 0.500O2 = S2-2 + log_k 32.450 + delta_h -212.123 #kJ/mol + # Enthalpy of formation: 35.04 #kJ/mol #04CHI + -analytic -4.7123E+0 0E+0 1.10799E+4 0E+0 0E+0 + +2.000H+ + 2.000SO3-2 - 1.000H2O = S2O5-2 + log_k 12.850 #85GOL/PAR + delta_h 2.606 #kJ/mol + # Enthalpy of formation: -973.684 #kJ/mol + -analytic 1.33066E+1 0E+0 -1.36121E+2 0E+0 0E+0 + +2.000SO4-2 - 1.000H2O + 2.000H+ + 0.500O2 = S2O8-2 + log_k -22.390 + delta_h 194.217 #kJ/mol + # Enthalpy of formation: -1344.7 #kJ/mol #82WAG/EVA + -analytic 1.16353E+1 0E+0 -1.01446E+4 0E+0 0E+0 + +1.000H+ + 3.000HS- - 2.000H2O + 1.000O2 = S3-2 + log_k 79.470 + delta_h -484.686 #kJ/mol + # Enthalpy of formation: 25.94 #kJ/mol #74NAU/RYZ + -analytic -5.44322E+0 0E+0 2.53169E+4 0E+0 0E+0 + +4.000H+ + 3.000SO3-2 - 2.000H2O - 0.500O2 = S3O6-2 + log_k -6.170 + delta_h 148.117 #kJ/mol + # Enthalpy of formation: -1167.336 #kJ/mol #04CHI + -analytic 1.97789E+1 0E+0 -7.73668E+3 0E+0 0E+0 + +2.000H+ + 4.000HS- - 3.000H2O + 1.500O2 = S4-2 + log_k 125.390 + delta_h -751.079 #kJ/mol + # Enthalpy of formation: 23.01 #kJ/mol #74NAU/RYZ + -analytic -6.1932E+0 0E+0 3.92315E+4 0E+0 0E+0 + +6.000H+ + 4.000SO3-2 - 3.000H2O - 1.500O2 = S4O6-2 + log_k -38.170 + delta_h 424.311 #kJ/mol + # Enthalpy of formation: -1224.238 #kJ/mol #04CHI + -analytic 3.6166E+1 0E+0 -2.21633E+4 0E+0 0E+0 + +3.000H+ + 5.000HS- - 4.000H2O + 2.000O2 = S5-2 + log_k 171.090 + delta_h -1016.212 #kJ/mol + # Enthalpy of formation: 21.34 #kJ/mol #74NAU/RYZ + -analytic -6.94244E+0 0E+0 5.30804E+4 0E+0 0E+0 + +8.000H+ + 5.000SO3-2 - 4.000H2O - 2.500O2 = S5O6-2 + log_k -99.570 + delta_h 805.941 #kJ/mol + # Enthalpy of formation: -1175.704 #kJ/mol #04CHI + -analytic 4.16246E+1 0E+0 -4.20972E+4 0E+0 0E+0 + +2.000H+ + 1.000SO3-2 - 1.000H2O = SO2 + log_k 9.030 + delta_h 21.450 #kJ/mol + # Enthalpy of formation: -323.78 #kJ/mol #85GOL/PAR + -analytic 1.27879E+1 0E+0 -1.12041E+3 0E+0 0E+0 + +2.000H+ + 1.000Sb(OH)3 - 2.000H2O = Sb(OH)+2 + log_k 0.740 #99LOT/OCH + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7.4E-1 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000Sb(OH)3 - 1.000H2O = Sb(OH)2+ + log_k 1.330 #77ANT/NET and others recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000Sb(OH)5 - 1.000H2O = Sb(OH)4+ + log_k -3.260 #57PIT/POU in 99LOT/OCH + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.26E+0 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000Sb(OH)3 + 1.000H2O = Sb(OH)4- + log_k -11.820 #52GAY/GAR recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.182E+1 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000Sb(OH)5 + 1.000H2O = Sb(OH)6- + log_k -2.720 #63LEF/MAR in 76BAE/MES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.72E+0 0E+0 0E+0 0E+0 0E+0 + +3.000H+ + 1.000Sb(OH)3 - 3.000H2O = Sb+3 + log_k -0.730 #99LOT/OCH + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7.3E-1 0E+0 0E+0 0E+0 0E+0 + +- 4.000H+ + 12.000Sb(OH)5 + 4.000H2O = Sb12(OH)64-4 + log_k 20.340 #63LEF/MAR in 76BAE/MES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.034E+1 0E+0 0E+0 0E+0 0E+0 + +- 5.000H+ + 12.000Sb(OH)5 + 5.000H2O = Sb12(OH)65-5 + log_k 16.720 #63LEF/MAR in 76BAE/MES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.672E+1 0E+0 0E+0 0E+0 0E+0 + +- 6.000H+ + 12.000Sb(OH)5 + 6.000H2O = Sb12(OH)66-6 + log_k 11.890 #63LEF/MAR in 76BAE/MES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.189E+1 0E+0 0E+0 0E+0 0E+0 + +- 7.000H+ + 12.000Sb(OH)5 + 7.000H2O = Sb12(OH)67-7 + log_k 6.070 #63LEF/MAR in 76BAE/MES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.07E+0 0E+0 0E+0 0E+0 0E+0 + +4.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2H2S4 + log_k 57.810 #88KRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.781E+1 0E+0 0E+0 0E+0 0E+0 + +3.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2HS4- + log_k 52.900 #88KRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.29E+1 0E+0 0E+0 0E+0 0E+0 + +2.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2S4-2 + log_k 43.380 #88KRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.338E+1 0E+0 0E+0 0E+0 0E+0 + +3.000H+ + 1.000Cl- + 1.000Sb(OH)3 - 3.000H2O = SbCl+2 + log_k 2.800 #70BON/WAU and others recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0 + +3.000H+ + 2.000Cl- + 1.000Sb(OH)3 - 3.000H2O = SbCl2+ + log_k 3.270 #70BON/WAU and others recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0 + +3.000H+ + 1.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF+2 + log_k 6.370 #70BON recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.37E+0 0E+0 0E+0 0E+0 0E+0 + +3.000H+ + 2.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF2+ + log_k 12.420 #70BON recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.242E+1 0E+0 0E+0 0E+0 0E+0 + +3.000H+ + 3.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF3 + log_k 18.200 #70BON recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.82E+1 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000HSe- = Se-2 + log_k -14.910 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.491E+1 0E+0 0E+0 0E+0 0E+0 + +2.000HSe- - 1.000H2O + 0.500O2 = Se2-2 + log_k 38.490 #05OLI/NOL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.8490E+1 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 3.000HSe- - 2.000H2O + 1.000O2 = Se3-2 + log_k 91.220 #05OLI/NOL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.1220E+1 0E+0 0E+0 0E+0 0E+0 + +2.000H+ + 4.000HSe- - 3.000H2O + 1.500O2 = Se4-2 + log_k 142.350 #05OLI/NOL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.4235E+2 0E+0 0E+0 0E+0 0E+0 + +1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = SeCn- + log_k 56.020 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.6020E+1 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 2.000H4(SiO4) - 1.000H2O = Si2O2(OH)5- + log_k -8.500 #01FEL/CHO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -8.5E+0 0E+0 0E+0 0E+0 0E+0 + +- 2.000H+ + 2.000H4(SiO4) - 1.000H2O = Si2O3(OH)4-2 + log_k -19.400 #01FEL/CHO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.94E+1 0E+0 0E+0 0E+0 0E+0 + +- 3.000H+ + 3.000H4(SiO4) - 2.000H2O = Si3O5(OH)5-3 + log_k -29.400 #01FEL/CHO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.94E+1 0E+0 0E+0 0E+0 0E+0 + +- 3.000H+ + 3.000H4(SiO4) - 3.000H2O = Si3O6(OH)3-3 + log_k -29.300 #01FEL/CHO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.93E+1 0E+0 0E+0 0E+0 0E+0 + +- 2.000H+ + 4.000H4(SiO4) - 4.000H2O = Si4O6(OH)6-2 + log_k -15.600 #01FEL/CHO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.56E+1 0E+0 0E+0 0E+0 0E+0 + +- 4.000H+ + 4.000H4(SiO4) - 3.000H2O = Si4O7(OH)6-4 + log_k -39.100 #01FEL/CHO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.91E+1 0E+0 0E+0 0E+0 0E+0 + +- 4.000H+ + 4.000H4(SiO4) - 4.000H2O = Si4O8(OH)4-4 + log_k -39.200 #01FEL/CHO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.92E+1 0E+0 0E+0 0E+0 0E+0 + +- 6.000H+ + 6.000H4(SiO4) - 9.000H2O = Si6O15-6 + log_k -61.800 #01FEL/CHO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.18E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sm+3 + 1.000CO3-2 = Sm(CO3)+ + log_k 7.800 #95SPA/BRU + delta_h 163.392 #kJ/mol + # Enthalpy of formation: -1203.037 #kJ/mol + -analytic 3.6425E+1 0E+0 -8.53455E+3 0E+0 0E+0 + +1.000Sm+3 + 2.000CO3-2 = Sm(CO3)2- + log_k 12.800 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.28E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sm+3 + 3.000CO3-2 = Sm(CO3)3-3 + log_k 14.800 #05VER/VIT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sm+3 + 1.000H2(PO4)- = Sm(H2PO4)+2 + log_k 2.350 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.35E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sm+3 + 1.000H+ + 1.000CO3-2 = Sm(HCO3)+2 + log_k 12.430 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.243E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sm+3 - 1.000H+ + 1.000H2(PO4)- = Sm(HPO4)+ + log_k -1.610 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.61E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sm+3 - 2.000H+ + 2.000H2(PO4)- = Sm(HPO4)2- + log_k -5.020 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.02E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sm+3 + 1.000NO3- = Sm(NO3)+2 + log_k 0.900 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Sm+3 - 1.000H+ + 1.000H2O = Sm(OH)+2 + log_k -7.900 #95SPA/BRU + delta_h 81.304 #kJ/mol + # Enthalpy of formation: -895.725 #kJ/mol + -analytic 6.34383E+0 0E+0 -4.2468E+3 0E+0 0E+0 + +1.000Sm+3 - 2.000H+ + 2.000H2O = Sm(OH)2+ + log_k -15.700 #07NEC/ALT + delta_h 145.698 #kJ/mol + # Enthalpy of formation: -1117.161 #kJ/mol + -analytic 9.82516E+0 0E+0 -7.61033E+3 0E+0 0E+0 + +1.000Sm+3 - 3.000H+ + 3.000H2O = Sm(OH)3 + log_k -26.200 #07NEC/ALT + delta_h 228.395 #kJ/mol + # Enthalpy of formation: -1320.294 #kJ/mol + -analytic 1.3813E+1 0E+0 -1.19299E+4 0E+0 0E+0 + +1.000Sm+3 - 4.000H+ + 4.000H2O = Sm(OH)4- + log_k -40.700 #07NEC/ALT + delta_h 298.594 #kJ/mol + # Enthalpy of formation: -1535.925 #kJ/mol + -analytic 1.16113E+1 0E+0 -1.55966E+4 0E+0 0E+0 + +1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- = Sm(PO4) + log_k -7.460 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7.46E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sm+3 - 4.000H+ + 2.000H2(PO4)- = Sm(PO4)2-3 + log_k -18.720 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.872E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sm+3 + 1.000SO4-2 = Sm(SO4)+ + log_k 3.500 #95SPA/BRU + delta_h 16.575 #kJ/mol + # Enthalpy of formation: -1583.964 #kJ/mol + -analytic 6.40381E+0 0E+0 -8.65771E+2 0E+0 0E+0 + +1.000Sm+3 + 2.000SO4-2 = Sm(SO4)2- + log_k 5.200 #95SPA/BRU + delta_h 24.910 #kJ/mol + # Enthalpy of formation: -2484.969 #kJ/mol + -analytic 9.56404E+0 0E+0 -1.30114E+3 0E+0 0E+0 + +1.000Sm+3 + 1.000Br- = SmBr+2 + log_k 0.230 #96FAL/REA + delta_h 17.023 #kJ/mol + # Enthalpy of formation: -795.586 #kJ/mol + -analytic 3.2123E+0 0E+0 -8.89172E+2 0E+0 0E+0 + +1.000Sm+3 + 1.000Cl- = SmCl+2 + log_k 0.720 #Original data 01LUO/BYR and 07LUO/BYR + delta_h 22.277 #kJ/mol + # Enthalpy of formation: -836.002 #kJ/mol + -analytic 4.62276E+0 0E+0 -1.16361E+3 0E+0 0E+0 + +1.000Sm+3 + 1.000F- = SmF+2 + log_k 4.210 #07LUO/BYR + delta_h 24.180 #kJ/mol + # Enthalpy of formation: -1002.369 #kJ/mol + -analytic 8.44615E+0 0E+0 -1.26301E+3 0E+0 0E+0 + +1.000Sm+3 + 2.000F- = SmF2+ + log_k 6.430 #Original data 99SCH/BYR and 04LUO/BYR + delta_h 18.850 #kJ/mol + # Enthalpy of formation: -1343.049 #kJ/mol + -analytic 9.73237E+0 0E+0 -9.84603E+2 0E+0 0E+0 + +1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 + log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 1.000Cit-3 = Sn(Cit)- + log_k 8.700 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.7E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 2.000Cit-3 = Sn(Cit)2-4 + log_k 11.900 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.19E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 1.000Edta-4 = Sn(Edta)-2 + log_k 24.600 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 2.000H+ + 1.000Edta-4 = Sn(H2Edta) + log_k 24.300 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.43E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 1.000H+ + 1.000Edta-4 = Sn(HEdta)- + log_k 23.400 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.34E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 1.000Nta-3 = Sn(Nta)- + log_k 13.400 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 - 1.000H+ + 1.000H2O = Sn(OH)+ + log_k -3.530 #12GAJ/SAN + delta_h 18.612 #kJ/mol + # Enthalpy of formation: -276.835 #kJ/mol + -analytic -2.69322E-1 0E+0 -9.72171E+2 0E+0 0E+0 + +1.000Sn+2 - 2.000H+ + 2.000H2O = Sn(OH)2 + log_k -7.680 #12GAJ/SAN + delta_h 40.762 #kJ/mol + # Enthalpy of formation: -540.515 #kJ/mol + -analytic -5.38815E-1 0E+0 -2.12914E+3 0E+0 0E+0 + +1.000Sn+2 - 3.000H+ + 3.000H2O = Sn(OH)3- + log_k -61.190 #13COL/GRI + delta_h 344.633 #kJ/mol + # Enthalpy of formation: -522.474 #kJ/mol + -analytic -8.12979E-1 0E+0 -1.80014E+4 0E+0 0E+0 + +1.000Sn+4 - 4.000H+ + 4.000H2O = Sn(OH)4 + log_k 7.540 + delta_h -49.215 #kJ/mol + # Enthalpy of formation: -1224.035 #kJ/mol + -analytic -1.08209E+0 0E+0 2.57067E+3 0E+0 0E+0 + +1.000Sn+4 - 5.000H+ + 5.000H2O = Sn(OH)5- + log_k -1.060 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.06E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+4 - 6.000H+ + 6.000H2O = Sn(OH)6-2 + log_k -11.130 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.113E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 - 1.000H+ + 1.000Cl- + 1.000H2O = Sn(OH)Cl + log_k -3.100 #52VAN/RHO recalculated in 02HUM/BER + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.1E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 1.000Ox-2 = Sn(Ox) + log_k 6.500 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 2.000Ox-2 = Sn(Ox)2-2 + log_k 12.900 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 3.000Ox-2 = Sn(Ox)3-4 + log_k 17.100 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.71E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 1.000SO4-2 = Sn(SO4) + log_k 3.430 #12GAJ/SAN + delta_h 16.900 #kJ/mol #Suggested but not selected in 12GAJ/SAN + # Enthalpy of formation: -902.057 #kJ/mol + -analytic 6.39075E+0 0E+0 -8.82747E+2 0E+0 0E+0 + +3.000Sn+2 - 4.000H+ + 4.000H2O = Sn3(OH)4+2 + log_k -5.600 #12GAJ/SAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.6E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 1.000Br- = SnBr+ + log_k 1.330 #12GAJ/SAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 2.000Br- = SnBr2 + log_k 1.970 #12GAJ/SAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.97E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 3.000Br- = SnBr3- + log_k 1.930 #12GAJ/SAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.93E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 1.000Cl- = SnCl+ + log_k 1.520 #12GAJ/SAN + delta_h 12.700 #kJ/mol #12GAJ/SAN + # Enthalpy of formation: -163.997 #kJ/mol + -analytic 3.74494E+0 0E+0 -6.63366E+2 0E+0 0E+0 + +1.000Sn+2 + 2.000Cl- = SnCl2 + log_k 2.170 #12GAJ/SAN + delta_h 19.700 #kJ/mol #12GAJ/SAN + # Enthalpy of formation: -324.077 #kJ/mol + -analytic 5.62129E+0 0E+0 -1.029E+3 0E+0 0E+0 + +1.000Sn+2 + 3.000Cl- = SnCl3- + log_k 2.130 #12GAJ/SAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.13E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 4.000Cl- = SnCl4-2 + log_k 2.030 #12GAJ/SAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.03E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 1.000F- = SnF+ + log_k 5.250 #12GAJ/SAN + delta_h -9.579 #kJ/mol + # Enthalpy of formation: -354.546 #kJ/mol + -analytic 3.57183E+0 0E+0 5.00345E+2 0E+0 0E+0 + +1.000Sn+2 + 2.000F- = SnF2 + log_k 8.890 #12GAJ/SAN + delta_h -9.968 #kJ/mol + # Enthalpy of formation: -690.285 #kJ/mol + -analytic 7.14368E+0 0E+0 5.20664E+2 0E+0 0E+0 + +1.000Sn+2 + 3.000F- = SnF3- + log_k 11.500 #12GAJ/SAN + delta_h -4.478 #kJ/mol + # Enthalpy of formation: -1020.145 #kJ/mol + -analytic 1.07155E+1 0E+0 2.33902E+2 0E+0 0E+0 + +1.000Sn+2 - 1.000H+ + 1.000H2(PO4)- = SnHPO4 + log_k 2.290 #00CIA/MUL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.29E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 1.000I- = SnI+ + log_k 1.740 #68HAI/JOH recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.74E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 + 2.000I- = SnI2 + log_k 2.690 #68HAI/JOH recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.69E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sn+2 - 2.000H+ + 1.000H2(PO4)- = SnPO4- + log_k -1.560 #00CIA/MUL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.56E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 1.000CO3-2 = Sr(CO3) + log_k 2.810 #84BUS/PLU + delta_h 21.824 #kJ/mol + # Enthalpy of formation: -1204.306 #kJ/mol + -analytic 6.6334E+0 0E+0 -1.13995E+3 0E+0 0E+0 + +1.000Sr+2 + 1.000Cit-3 = Sr(Cit)- + log_k 4.240 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.24E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 - 1.000H+ + 2.000Cit-3 + 1.000H2O = Sr(Cit)2(OH)-5 + log_k -1.780 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 2.000Cit-3 = Sr(Cit)2-4 + log_k 4.840 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.84E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 1.000Cn- = Sr(Cn)+ + log_k 0.710 #estimation NEA87 08/02/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7.1E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 2.000Cn- = Sr(Cn)2 + log_k 0.200 #estimation NEA87 08/02/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 1.000Edta-4 = Sr(Edta)-2 + log_k 10.300 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.03E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 2.000H+ + 1.000Cit-3 = Sr(H2Cit)+ + log_k 12.460 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.246E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 1.000H2(PO4)- = Sr(H2PO4)+ + log_k 0.830 #97MAR/SMI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.3E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 1.000H+ + 1.000CO3-2 = Sr(HCO3)+ + log_k 11.510 #84BUS/PLUS + delta_h 10.598 #kJ/mol + # Enthalpy of formation: -1215.533 #kJ/mol + -analytic 1.33667E+1 0E+0 -5.53571E+2 0E+0 0E+0 + +1.000Sr+2 + 1.000H+ + 1.000Cit-3 = Sr(HCit) + log_k 9.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 1.000H+ + 1.000Edta-4 = Sr(HEdta)- + log_k 14.700 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.47E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 1.000H+ + 1.000Ox-2 = Sr(HOx)+ + log_k 5.800 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.8E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 2.000H+ + 2.000Ox-2 = Sr(HOx)2 + log_k 10.800 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.08E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 - 1.000H+ + 1.000H2(PO4)- = Sr(HPO4) + log_k -4.700 #97MAR/SMI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.7E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 1.000IO3- = Sr(IO3)+ + log_k 0.330 #estimation NEA87 01/02/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.3E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 2.000IO3- = Sr(IO3)2 + log_k -0.550 #estimation NEA87 01/02/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.5E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 1.000NH3 = Sr(NH3)+2 + log_k -0.550 #estimation NEA87 08/02/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.5E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 1.000NO3- = Sr(NO3)+ + log_k 0.600 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 2.000NO3- = Sr(NO3)2 + log_k 0.310 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.1E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 1.000Nta-3 = Sr(Nta)- + log_k 6.250 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.25E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 - 1.000H+ + 1.000H2O = Sr(OH)+ + log_k -13.290 #76BAE/MES + delta_h 82.609 #kJ/mol + # Enthalpy of formation: -754.12 #kJ/mol + -analytic 1.18245E+0 0E+0 -4.31496E+3 0E+0 0E+0 + +1.000Sr+2 + 1.000Ox-2 = Sr(Ox) + log_k 2.540 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.54E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 2.000Ox-2 = Sr(Ox)2-2 + log_k 3.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 - 2.000H+ + 1.000H2(PO4)- = Sr(PO4)- + log_k -13.560 #96BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.356E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 1.000Pyrophos-4 = Sr(Pyrophos)-2 + log_k 5.400 #76SMI/MAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.4E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 1.000S2O3-2 = Sr(S2O3) + log_k 2.040 #76SMI/MAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.04E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 1.000SO4-2 = Sr(SO4) + log_k 2.300 #06BLA/ING + delta_h 7.029 #kJ/mol #06BLA/ING + # Enthalpy of formation: -1453.211 #kJ/mol + -analytic 3.53143E+0 0E+0 -3.6715E+2 0E+0 0E+0 + +2.000Sr+2 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Sr2(Cit)(OH) + log_k 0.380 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.8E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 1.000B(OH)4- = SrB(OH)4+ + log_k 1.550 #80BAS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.55E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 1.000Cl- = SrCl+ + log_k 0.230 #96BOU + delta_h 4.924 #kJ/mol + # Enthalpy of formation: -713.054 #kJ/mol + -analytic 1.09265E+0 0E+0 -2.57198E+2 0E+0 0E+0 + +1.000Sr+2 + 1.000F- = SrF+ + log_k 0.300 + delta_h 16.740 #kJ/mol + # Enthalpy of formation: -869.51 #kJ/mol + -analytic 3.23272E+0 0E+0 -8.7439E+2 0E+0 0E+0 + +1.000Sr+2 + 2.000F- = SrF2 + log_k 2.020 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.02E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 1.000I- = SrI+ + log_k 0.140 #estimation NEA87 01/02/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.4E-1 0E+0 0E+0 0E+0 0E+0 + +1.000Sr+2 + 2.000I- = SrI2 + log_k -0.040 #estimation NEA87 01/02/95 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4E-2 0E+0 0E+0 0E+0 0E+0 + +1.000TcO(OH)2 + 2.000H+ + 1.000CO3-2 - 1.000H2O = Tc(OH)2CO3 + log_k 19.260 #99RAR/RAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.926E+1 0E+0 0E+0 0E+0 0E+0 + +1.000TcO(OH)2 + 1.000H+ + 1.000CO3-2 = Tc(OH)3CO3- + log_k 10.960 #99RAR/RAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.096E+1 0E+0 0E+0 0E+0 0E+0 + +1.000TcO(OH)2 + 1.000H+ - 1.000H2O + 1.000Acetate- = TcO(OH)(Acetate) + log_k 5.550 #11RIC/GRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.55E+0 0E+0 0E+0 0E+0 0E+0 + +1.000TcO(OH)2 + 1.000H+ + 1.000Edta-4 - 1.000H2O = TcO(OH)(Edta)-3 + log_k 19.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.9E+1 0E+0 0E+0 0E+0 0E+0 + +1.000TcO(OH)2 + 1.000H+ + 1.000Nta-3 - 1.000H2O = TcO(OH)(Nta)-2 + log_k 13.300 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.33E+1 0E+0 0E+0 0E+0 0E+0 + +1.000TcO(OH)2 + 1.000H+ + 2.000Nta-3 - 1.000H2O = TcO(OH)(Nta)2-5 + log_k 11.700 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.17E+1 0E+0 0E+0 0E+0 0E+0 + +1.000TcO(OH)2 + 1.000H+ - 1.000H2O = TcO(OH)+ + log_k 2.790 + delta_h 4.020 #kJ/mol #97NGU/LAN + # Enthalpy of formation: -459.47 #kJ/mol + -analytic 3.49427E+0 0E+0 -2.09979E+2 0E+0 0E+0 + +1.000TcO(OH)2 + 2.000H+ + 1.000Ox-2 - 2.000H2O = TcO(Ox) + log_k 9.800 #06XIA/HES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.8E+0 0E+0 0E+0 0E+0 0E+0 + +1.000TcO(OH)2 + 2.000H+ + 2.000Ox-2 - 2.000H2O = TcO(Ox)2-2 + log_k 13.660 #06XIA/HES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.366E+1 0E+0 0E+0 0E+0 0E+0 + +1.000TcO(OH)2 + 2.000H+ - 2.000H2O = TcO+2 + log_k 2.580 #97NGU/LAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.58E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 1.000Acetate- = Th(Acetate)+3 + log_k 5.240 #11RIC/GRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.24E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 2.000Acetate- = Th(Acetate)2+2 + log_k 9.440 #11RIC/GRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.44E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 3.000Acetate- = Th(Acetate)3+ + log_k 12.560 #11RIC/GRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.256E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 4.000Acetate- = Th(Acetate)4 + log_k 14.380 #11RIC/GRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.438E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 5.000Acetate- = Th(Acetate)5- + log_k 15.370 #11RIC/GRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.537E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 5.000CO3-2 = Th(CO3)5-6 + log_k 31.000 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.1E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 1.000Cit-3 = Th(Cit)+ + log_k 16.800 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.68E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 2.000Cit-3 = Th(Cit)2-2 + log_k 25.800 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.58E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 1.000Edta-4 = Th(Edta) + log_k 26.950 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.695E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 1.000H2(PO4)- = Th(H2PO4)+3 + log_k 5.590 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.59E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 2.000H2(PO4)- = Th(H2PO4)2+2 + log_k 10.480 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.048E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 1.000H+ + 2.000H2(PO4)- = Th(H3PO4)(H2PO4)+3 + log_k 9.700 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.7E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 1.000H+ + 1.000H2(PO4)- = Th(H3PO4)+4 + log_k 4.030 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.03E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 1.000H+ + 1.000Edta-4 = Th(HEdta)+ + log_k 28.700 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.87E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 1.000H+ + 1.000Ox-2 = Th(HOx)+3 + log_k 11.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 2.000H+ + 2.000Ox-2 = Th(HOx)2+2 + log_k 18.130 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.813E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 4.000H+ + 4.000Ox-2 = Th(HOx)4 + log_k 24.300 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.43E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 1.000NO3- = Th(NO3)+3 + log_k 1.300 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 2.000NO3- = Th(NO3)2+2 + log_k 2.300 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 1.000Nta-3 = Th(Nta)+ + log_k 17.150 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.715E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 - 1.000H+ + 4.000CO3-2 + 1.000H2O = Th(OH)(CO3)4-5 + log_k 21.600 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.16E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Th(OH)(Edta)- + log_k 19.500 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.95E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Th(OH)(Nta) + log_k 25.200 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.52E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 - 1.000H+ + 1.000H2O = Th(OH)+3 + log_k -2.500 #09RAN/FUG + delta_h 44.200 #kJ/mol #09RAN/FUG + # Enthalpy of formation: -1010.33 #kJ/mol + -analytic 5.2435E+0 0E+0 -2.30872E+3 0E+0 0E+0 + +1.000Th+4 - 2.000H+ + 1.000CO3-2 + 2.000H2O = Th(OH)2(CO3) + log_k 2.500 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.5E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Th(OH)2(CO3)2-2 + log_k 8.800 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.8E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Th(OH)2(Nta)- + log_k 35.200 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.52E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 - 2.000H+ + 2.000H2O = Th(OH)2+2 + log_k -6.200 #09RAN/FUG + delta_h 85.700 #kJ/mol #09RAN/FUG + # Enthalpy of formation: -1254.66 #kJ/mol + -analytic 8.81397E+0 0E+0 -4.47642E+3 0E+0 0E+0 + +1.000Th+4 - 3.000H+ + 1.000CO3-2 + 3.000H2O = Th(OH)3(CO3)- + log_k -3.700 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.7E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Th(OH)3(HGlu) + log_k -6.700 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.7E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Th(OH)3(HIsa) + log_k -5.650 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.65E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Th(OH)3(HIsa)2- + log_k -4.900 #09RAI/YUI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.9E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 - 3.000H+ + 3.000H2O = Th(OH)3+ + log_k -11.000 #09GRI/RIB + delta_h 125.623 #kJ/mol + # Enthalpy of formation: -1500.554 #kJ/mol + -analytic 1.10082E+1 0E+0 -6.56174E+3 0E+0 0E+0 + +1.000Th+4 - 4.000H+ + 4.000H2O = Th(OH)4 + log_k -17.400 #09RAN/FUG + delta_h 152.688 #kJ/mol + # Enthalpy of formation: -1759.319 #kJ/mol + -analytic 9.34975E+0 0E+0 -7.97544E+3 0E+0 0E+0 + +1.000Th+4 - 4.000H+ + 1.000CO3-2 + 4.000H2O = Th(OH)4(CO3)-2 + log_k -15.600 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.56E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Th(OH)4(HGlu)- + log_k -11.800 #13COL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.18E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 2.000HGlu- + 4.000H2O - 4.000H+ = Th(OH)4(HGlu)2-2 + log_k -9.900 #13COL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -9.9E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Th(OH)4(HIsa)- + log_k -13.200 #13COL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.32E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Th(OH)4(HIsa)2-2 + log_k -10.400 #13COL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 1.000Ox-2 = Th(Ox)+2 + log_k 9.700 #08SAS/TAK; 09KOB/SAS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.7E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 2.000Ox-2 = Th(Ox)2 + log_k 16.000 #08SAS/TAK; 09KOB/SAS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 3.000Ox-2 = Th(Ox)3-2 + log_k 22.200 #08SAS/TAK; 09KOB/SAS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.22E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 1.000SO4-2 = Th(SO4)+2 + log_k 6.170 #09RAN/FUG + delta_h 20.920 #kJ/mol #09RAN/FUG + # Enthalpy of formation: -1657.12 #kJ/mol + -analytic 9.83502E+0 0E+0 -1.09273E+3 0E+0 0E+0 + +1.000Th+4 + 2.000SO4-2 = Th(SO4)2 + log_k 9.690 #09RAN/FUG + delta_h 40.380 #kJ/mol #09RAN/FUG + # Enthalpy of formation: -2547 #kJ/mol + -analytic 1.67643E+1 0E+0 -2.10919E+3 0E+0 0E+0 + +1.000Th+4 + 3.000SO4-2 = Th(SO4)3-2 + log_k 10.750 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.075E+1 0E+0 0E+0 0E+0 0E+0 + +2.000Th+4 - 2.000H+ + 2.000H2O = Th2(OH)2+6 + log_k -5.900 #09RAN/FUG + delta_h 58.300 #kJ/mol #09RAN/FUG + # Enthalpy of formation: -2050.76 #kJ/mol + -analytic 4.31371E+0 0E+0 -3.04522E+3 0E+0 0E+0 + +2.000Th+4 - 3.000H+ + 3.000H2O = Th2(OH)3+5 + log_k -6.800 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.8E+0 0E+0 0E+0 0E+0 0E+0 + +2.000Th+4 - 1.000H+ + 1.000Ox-2 + 1.000H2O = Th2(Ox)(OH)+5 + log_k 26.240 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.624E+1 0E+0 0E+0 0E+0 0E+0 + +4.000Th+4 - 12.000H+ + 12.000H2O = Th4(OH)12+4 + log_k -26.600 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.66E+1 0E+0 0E+0 0E+0 0E+0 + +4.000Th+4 - 8.000H+ + 8.000H2O = Th4(OH)8+8 + log_k -20.400 #09RAN/FUG + delta_h 243.000 #kJ/mol #09RAN/FUG + # Enthalpy of formation: -5118.44 #kJ/mol + -analytic 2.21717E+1 0E+0 -1.26928E+4 0E+0 0E+0 + +6.000Th+4 - 14.000H+ + 14.000H2O = Th6(OH)14+10 + log_k -36.800 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.68E+1 0E+0 0E+0 0E+0 0E+0 + +6.000Th+4 - 15.000H+ + 15.000H2O = Th6(OH)15+9 + log_k -36.800 #09RAN/FUG + delta_h 472.800 #kJ/mol #09RAN/FUG + # Enthalpy of formation: -8426.85 #kJ/mol + -analytic 4.60309E+1 0E+0 -2.4696E+4 0E+0 0E+0 + +1.000Th+4 + 1.000Cl- = ThCl+3 + log_k 1.700 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.7E+0 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 1.000F- = ThF+3 + log_k 8.870 #09RAN/FUG + delta_h -0.400 #kJ/mol #09RAN/FUG + # Enthalpy of formation: -1104.45 #kJ/mol + -analytic 8.79992E+0 0E+0 2.08934E+1 0E+0 0E+0 + +1.000Th+4 + 2.000F- = ThF2+2 + log_k 15.630 #09RAN/FUG + delta_h -3.300 #kJ/mol #09RAN/FUG + # Enthalpy of formation: -1442.7 #kJ/mol + -analytic 1.50519E+1 0E+0 1.72371E+2 0E+0 0E+0 + +1.000Th+4 + 3.000F- = ThF3+ + log_k 20.670 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.067E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Th+4 + 4.000F- = ThF4 + log_k 25.580 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.558E+1 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 + 1.000Acetate- = U(Acetate)+3 + log_k 5.640 #12GRI/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.64E+0 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 + 2.000Acetate- = U(Acetate)2+2 + log_k 9.810 #12GRI/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.81E+0 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 + 4.000CO3-2 = U(CO3)4-4 + log_k 35.120 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.512E+1 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 + 5.000CO3-2 = U(CO3)5-6 + log_k 34.000 #03GUI/FAN + delta_h -20.000 #kJ/mol #03GUI/FAN + # Enthalpy of formation: -3987.35 #kJ/mol + -analytic 3.04962E+1 0E+0 1.04467E+3 0E+0 0E+0 + +1.000U+4 + 1.000Edta-4 = U(Edta) + log_k 29.500 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.95E+1 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 + 1.000NO3- = U(NO3)+3 + log_k 1.470 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.47E+0 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 + 2.000NO3- = U(NO3)2+2 + log_k 2.300 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 + 1.000Nta-3 = U(Nta)+ + log_k 20.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2E+1 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 - 1.000H+ + 1.000Edta-4 + 1.000H2O = U(OH)(Edta)- + log_k 24.600 #63ERM/KRO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 - 1.000H+ + 1.000H2O = U(OH)+3 + log_k -0.540 #92GRE/FUG + delta_h 46.910 #kJ/mol + # Enthalpy of formation: -830.12 #kJ/mol + -analytic 7.67827E+0 0E+0 -2.45028E+3 0E+0 0E+0 + +1.000U+4 - 2.000H+ + 1.000Edta-4 + 2.000H2O = U(OH)2(Edta)-2 + log_k 16.500 #63ERM/KRO + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.65E+1 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 - 2.000H+ + 2.000H2O = U(OH)2+2 + log_k -1.100 #01NEC/KIM + delta_h 59.974 #kJ/mol + # Enthalpy of formation: -1102.886 #kJ/mol + -analytic 9.40698E+0 0E+0 -3.13266E+3 0E+0 0E+0 + +1.000U+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = U(OH)3(HGlu) + log_k 0.290 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.9E-1 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = U(OH)3(HIsa) + log_k 0.290 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.9E-1 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = U(OH)3(HIsa)2- + log_k 2.400 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 - 3.000H+ + 3.000H2O = U(OH)3+ + log_k -4.700 #01NEC/KIM + delta_h 82.944 #kJ/mol + # Enthalpy of formation: -1365.746 #kJ/mol + -analytic 9.83114E+0 0E+0 -4.33246E+3 0E+0 0E+0 + +1.000U+4 - 4.000H+ + 4.000H2O = U(OH)4 + log_k -10.000 #03GUI/FAN + delta_h 109.881 #kJ/mol + # Enthalpy of formation: -1624.639 #kJ/mol + -analytic 9.2503E+0 0E+0 -5.73948E+3 0E+0 0E+0 + +1.000U+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = U(OH)4(HGlu)- + log_k -5.940 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.94E+0 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = U(OH)4(HIsa)- + log_k -6.700 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.7E+0 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = U(OH)4(HIsa)2-2 + log_k -5.100 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.1E+0 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 + 2.000Ox-2 = U(Ox)2 + log_k 18.630 #12GRI/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.863E+1 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 + 3.000Ox-2 = U(Ox)3-2 + log_k 24.190 #12GRI/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.419E+1 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 + 1.000SO4-2 = U(SO4)+2 + log_k 6.580 #92GRE/FUG + delta_h 8.000 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -1492.54 #kJ/mol + -analytic 7.98154E+0 0E+0 -4.17868E+2 0E+0 0E+0 + +1.000U+4 + 2.000SO4-2 = U(SO4)2 + log_k 10.510 #92GRE/FUG + delta_h 32.700 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -2377.18 #kJ/mol + -analytic 1.62388E+1 0E+0 -1.70804E+3 0E+0 0E+0 + +1.000U+4 + 1.000Br- = UBr+3 + log_k 1.460 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.46E+0 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 + 1.000Cl- = UCl+3 + log_k 1.720 #92GRE/FUG + delta_h -19.000 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -777.28 #kJ/mol + -analytic -1.60865E+0 0E+0 9.92438E+2 0E+0 0E+0 + +1.000U+4 + 1.000F- = UF+3 + log_k 9.420 #03GUI/FAN + delta_h -5.600 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -932.15 #kJ/mol + -analytic 8.43892E+0 0E+0 2.92508E+2 0E+0 0E+0 + +1.000U+4 + 2.000F- = UF2+2 + log_k 16.560 #03GUI/FAN + delta_h -3.500 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -1265.4 #kJ/mol + -analytic 1.59468E+1 0E+0 1.82817E+2 0E+0 0E+0 + +1.000U+4 + 3.000F- = UF3+ + log_k 21.890 #03GUI/FAN + delta_h 0.500 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -1596.75 #kJ/mol + -analytic 2.19776E+1 0E+0 -2.61168E+1 0E+0 0E+0 + +1.000U+4 + 4.000F- = UF4 + log_k 26.340 #03GUI/FAN + delta_h -8.429 #kJ/mol + # Enthalpy of formation: -1941.029 #kJ/mol + -analytic 2.48633E+1 0E+0 4.40277E+2 0E+0 0E+0 + +1.000U+4 + 5.000F- = UF5- + log_k 27.730 #03GUI/FAN + delta_h -11.624 #kJ/mol + # Enthalpy of formation: -2279.574 #kJ/mol + -analytic 2.56936E+1 0E+0 6.07163E+2 0E+0 0E+0 + +1.000U+4 + 6.000F- = UF6-2 + log_k 29.800 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.98E+1 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 + 1.000I- = UI+3 + log_k 1.250 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.25E+0 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 1.000Acetate- = UO2(Acetate)+ + log_k 3.020 #11RIC/GRI + delta_h -35.366 #kJ/mol + # Enthalpy of formation: -1540.376 #kJ/mol + -analytic -3.17585E+0 0E+0 1.84729E+3 0E+0 0E+0 + +1.000UO2+2 + 2.000Acetate- = UO2(Acetate)2 + log_k 5.200 #11RIC/GRI + delta_h -34.958 #kJ/mol + # Enthalpy of formation: -2025.978 #kJ/mol + -analytic -9.2437E-1 0E+0 1.82598E+3 0E+0 0E+0 + +1.000UO2+2 + 3.000Acetate- = UO2(Acetate)3- + log_k 7.030 #11RIC/GRI + delta_h -45.947 #kJ/mol + # Enthalpy of formation: -2522.977 #kJ/mol + -analytic -1.01956E+0 0E+0 2.39998E+3 0E+0 0E+0 + +1.000UO2+2 + 1.000CO3-2 = UO2(CO3) + log_k 9.940 #03GUI/FAN + delta_h 5.000 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -1689.23 #kJ/mol + -analytic 1.0816E+1 0E+0 -2.61168E+2 0E+0 0E+0 + +1.000UO2+2 + 2.000CO3-2 = UO2(CO3)2-2 + log_k 16.610 #03GUI/FAN + delta_h 18.500 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -2350.96 #kJ/mol + -analytic 1.98511E+1 0E+0 -9.66321E+2 0E+0 0E+0 + +1.000UO2+2 + 3.000CO3-2 = UO2(CO3)3-4 + log_k 21.840 #03GUI/FAN + delta_h -39.200 #kJ/mol + # Enthalpy of formation: -3083.89 #kJ/mol + -analytic 1.49725E+1 0E+0 2.04756E+3 0E+0 0E+0 + +1.000UO2+ + 3.000CO3-2 = UO2(CO3)3-5 + log_k 6.950 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.95E+0 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 1.000Cit-3 = UO2(Cit)- + log_k 8.960 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.96E+0 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 1.000Edta-4 = UO2(Edta)-2 + log_k 13.700 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.37E+1 0E+0 0E+0 0E+0 0E+0 + +1.000AsO4-3 + 1.000UO2+2 + 2.000H+ = UO2(H2AsO4)+ + log_k 21.960 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.196E+1 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 4.000H+ + 2.000AsO4-3 = UO2(H2AsO4)2 + log_k 41.530 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.153E+1 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 1.000H+ + 2.000H2(PO4)- = UO2(H2PO4)(H3PO4)+ + log_k 5.930 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 1.000H2(PO4)- = UO2(H2PO4)+ + log_k 3.260 #92GRE/FUG + delta_h -15.340 #kJ/mol + # Enthalpy of formation: -2336.94 #kJ/mol + -analytic 5.72551E-1 0E+0 8.01263E+2 0E+0 0E+0 + +1.000UO2+2 + 2.000H2(PO4)- = UO2(H2PO4)2 + log_k 4.920 #92GRE/FUG + delta_h -51.871 #kJ/mol + # Enthalpy of formation: -6902.925 #kJ/mol + -analytic -4.1674E+0 0E+0 2.70941E+3 0E+0 0E+0 + +1.000UO2+2 + 1.000H+ + 1.000H2(PO4)- = UO2(H3PO4)+2 + log_k 2.900 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0 + +1.000AsO4-3 + 1.000UO2+2 + 1.000H+ = UO2(HAsO4) + log_k 18.760 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.876E+1 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 1.000H+ + 1.000Cit-3 = UO2(HCit) + log_k 11.360 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.136E+1 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 1.000H+ + 1.000Edta-4 = UO2(HEdta)- + log_k 19.610 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.961E+1 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 1.000HIsa- = UO2(HIsa)+ + log_k 3.700 #04RAO/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.7E+0 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 2.000HIsa- = UO2(HIsa)2 + log_k 6.600 #04RAO/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.6E+0 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 3.000HIsa- = UO2(HIsa)3- + log_k 8.500 #04RAO/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 1.000H+ + 1.000Nta-3 = UO2(HNta) + log_k 9.000 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9E+0 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 - 1.000H+ + 1.000H2(PO4)- = UO2(HPO4) + log_k 0.030 #92GRE/FUG + delta_h 2.795 #kJ/mol + # Enthalpy of formation: -4408.507 #kJ/mol + -analytic 5.19662E-1 0E+0 -1.45993E+2 0E+0 0E+0 + +1.000UO2+2 + 2.000I- + 3.000O2 = UO2(IO3)2 + log_k 38.400 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.8400E+1 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 1.000NO3- = UO2(NO3)+ + log_k 0.100 #08RAO/TIA + delta_h 3.900 #kJ/mol #08RAO/TIA + # Enthalpy of formation: -1221.95 #kJ/mol + -analytic 7.8325E-1 0E+0 -2.03711E+2 0E+0 0E+0 + +1.000UO2+2 + 1.000Nta-3 = UO2(Nta)- + log_k 10.800 #96AKR/BOU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.08E+1 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 - 1.000H+ + 1.000Ox-2 + 1.000H2O = UO2(OH)(Ox)- + log_k 0.630 #56GRI/PTI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.3E-1 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 - 1.000H+ + 1.000H2O = UO2(OH)+ + log_k -5.250 #03GUI/FAN + delta_h 43.458 #kJ/mol + # Enthalpy of formation: -1261.372 #kJ/mol + -analytic 2.3635E+0 0E+0 -2.26997E+3 0E+0 0E+0 + +1.000UO2+2 - 2.000H+ + 2.000H2O = UO2(OH)2 + log_k -12.150 #03GUI/FAN + delta_h 111.160 #kJ/mol + # Enthalpy of formation: -1479.5 #kJ/mol #82WAG/EVA + -analytic 7.32437E+0 0E+0 -5.80628E+3 0E+0 0E+0 + +1.000UO2+2 - 3.000H+ + 3.000H2O = UO2(OH)3- + log_k -20.250 #03GUI/FAN + delta_h 148.060 #kJ/mol #Estimated by linear correlations + # Enthalpy of formation: -1728.43 #kJ/mol + -analytic 5.68896E+0 0E+0 -7.7337E+3 0E+0 0E+0 + +1.000UO2+2 - 4.000H+ + 1.000HIsa- + 4.000H2O = UO2(OH)4(HIsa)-3 + log_k -28.100 #06GAO/MON + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.81E+1 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 - 4.000H+ + 4.000H2O = UO2(OH)4-2 + log_k -32.400 #03GUI/FAN + delta_h 156.138 #kJ/mol + # Enthalpy of formation: -2006.182 #kJ/mol + -analytic -5.04584E+0 0E+0 -8.15564E+3 0E+0 0E+0 + +1.000UO2+2 + 1.000Ox-2 = UO2(Ox) + log_k 7.130 #05HUM/AND + delta_h 25.360 #kJ/mol + # Enthalpy of formation: -1824.3 #kJ/mol #05HUM/AND + -analytic 1.15729E+1 0E+0 -1.32464E+3 0E+0 0E+0 + +1.000UO2+2 + 2.000Ox-2 = UO2(Ox)2-2 + log_k 11.650 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.165E+1 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 3.000Ox-2 = UO2(Ox)3-4 + log_k 13.800 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 - 2.000H+ + 1.000H2(PO4)- = UO2(PO4)- + log_k -6.330 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.33E+0 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 1.000Phthalat-2 = UO2(Phthalat) + log_k 5.560 #11GRI/COL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.56E+0 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 1.000S2O3-2 = UO2(S2O3) + log_k 2.800 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 1.000SO3-2 = UO2(SO3) + log_k 6.600 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.6E+0 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 1.000SO4-2 = UO2(SO4) + log_k 3.150 #03GUI/FAN + delta_h 19.500 #kJ/mol #03GUI/FAN + # Enthalpy of formation: -1908.84 #kJ/mol + -analytic 6.56625E+0 0E+0 -1.01855E+3 0E+0 0E+0 + +1.000UO2+2 + 2.000SO4-2 = UO2(SO4)2-2 + log_k 4.140 #03GUI/FAN + delta_h 35.100 #kJ/mol #03GUI/FAN + # Enthalpy of formation: -2802.58 #kJ/mol + -analytic 1.02892E+1 0E+0 -1.8334E+3 0E+0 0E+0 + +1.000UO2+2 + 3.000SO4-2 = UO2(SO4)3-4 + log_k 3.020 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.02E+0 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 1.000SeO4-2 = UO2(SeO4) + log_k 2.740 #05OLI/NOL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.74E+0 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 2.000SeO4-2 = UO2(SeO4)2-2 + log_k 3.100 #99DJO/PIZ recalculated in 05OLI/NOL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.1E+0 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 1.000Br- = UO2Br+ + log_k 0.220 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.2E-1 0E+0 0E+0 0E+0 0E+0 + +1.000UO2+2 + 1.000Br- + 1.500O2 = UO2BrO3+ + log_k -16.570 #92GRE/FUG + delta_h 73.011 #kJ/mol + # Enthalpy of formation: -1085.6 #kJ/mol + -analytic -3.77904E+0 0E+0 -3.81362E+3 0E+0 0E+0 + +1.000UO2+2 + 1.000Cl- = UO2Cl+ + log_k 0.170 #92GRE/FUG + delta_h 8.000 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -1178.08 #kJ/mol + -analytic 1.57154E+0 0E+0 -4.17868E+2 0E+0 0E+0 + +1.000UO2+2 + 2.000Cl- = UO2Cl2 + log_k -1.100 #92GRE/FUG + delta_h 15.000 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -1338.16 #kJ/mol + -analytic 1.52788E+0 0E+0 -7.83503E+2 0E+0 0E+0 + +1.000UO2+2 + 1.000Cl- + 1.500O2 = UO2ClO3+ + log_k -16.770 #92GRE/FUG + delta_h 77.381 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -1126.9 #kJ/mol + -analytic -3.21345E+0 0E+0 -4.04189E+3 0E+0 0E+0 + +1.000UO2+2 + 1.000F- = UO2F+ + log_k 5.160 #03GUI/FAN + delta_h 1.700 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -1352.65 #kJ/mol + -analytic 5.45783E+0 0E+0 -8.87971E+1 0E+0 0E+0 + +1.000UO2+2 + 2.000F- = UO2F2 + log_k 8.830 #03GUI/FAN + delta_h 2.100 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -1687.6 #kJ/mol + -analytic 9.1979E+0 0E+0 -1.0969E+2 0E+0 0E+0 + +1.000UO2+2 + 3.000F- = UO2F3- + log_k 10.900 #03GUI/FAN + delta_h 2.350 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -2022.7 #kJ/mol + -analytic 1.13117E+1 0E+0 -1.22749E+2 0E+0 0E+0 + +1.000UO2+2 + 4.000F- = UO2F4-2 + log_k 11.840 #03GUI/FAN + delta_h 0.290 #kJ/mol #92GRE/FUG + # Enthalpy of formation: -2360.11 #kJ/mol + -analytic 1.18908E+1 0E+0 -1.51477E+1 0E+0 0E+0 + +1.000UO2+2 + 1.000I- + 1.500O2 = UO2IO3+ + log_k 19.410 #92GRE/FUG + delta_h -134.919 #kJ/mol + # Enthalpy of formation: -1228.9 #kJ/mol + -analytic -4.22676E+0 0E+0 7.0473E+3 0E+0 0E+0 + +1.000UO2+2 - 1.000H+ + 1.000H4(SiO4) = UO2SiO(OH)3+ + log_k -1.840 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.84E+0 0E+0 0E+0 0E+0 0E+0 + +1.000U+4 + 1.000Ox-2 = UOx+2 + log_k 10.670 #12GRI/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.067E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Zn+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Zn(SeCn)+ + log_k 57.230 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.7230E+1 0E+0 0E+0 0E+0 0E+0 + +1.000Zn+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Zn(SeCn)2 + log_k 113.710 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.1371E+2 0E+0 0E+0 0E+0 0E+0 + +1.000Zn+2 + 1.000SeO4-2 = Zn(SeO4) + log_k 2.160 #05OLI/NOL + delta_h 4.600 #kJ/mol #05OLI/NOL + # Enthalpy of formation: -752.29 #kJ/mol + -analytic 2.96588E+0 0E+0 -2.40274E+2 0E+0 0E+0 + +4.000CO3-2 + 1.000Zr+4 = Zr(CO3)4-4 + log_k 42.900 #05BRO/CUR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.29E+1 0E+0 0E+0 0E+0 0E+0 + +2.000NO3- + 1.000Zr+4 = Zr(NO3)2+2 + log_k 2.640 #05BRO/CUR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.64E+0 0E+0 0E+0 0E+0 0E+0 + +- 1.000H+ + 1.000Zr+4 + 1.000H2O = Zr(OH)+3 + log_k 0.320 #05BRO/CUR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.2E-1 0E+0 0E+0 0E+0 0E+0 + +- 2.000H+ + 1.000Zr+4 + 2.000H2O = Zr(OH)2+2 + log_k 0.980 #05BRO/CUR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.8E-1 0E+0 0E+0 0E+0 0E+0 + +- 4.000H+ + 1.000Zr+4 + 4.000H2O = Zr(OH)4 + log_k -2.190 #05BRO/CUR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.19E+0 0E+0 0E+0 0E+0 0E+0 + +- 6.000H+ + 1.000Zr+4 + 6.000H2O = Zr(OH)6-2 + log_k -29.000 #05BRO/CUR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.9E+1 0E+0 0E+0 0E+0 0E+0 + +2.000SO4-2 + 1.000Zr+4 = Zr(SO4)2 + log_k 11.540 #05BRO/CUR + delta_h 67.380 #kJ/mol + # Enthalpy of formation: -2359.8 #kJ/mol #05BRO/CUR + -analytic 2.33445E+1 0E+0 -3.5195E+3 0E+0 0E+0 + +3.000SO4-2 + 1.000Zr+4 = Zr(SO4)3-2 + log_k 14.300 #05BRO/CUR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.43E+1 0E+0 0E+0 0E+0 0E+0 + +- 4.000H+ + 3.000Zr+4 + 4.000H2O = Zr3(OH)4+8 + log_k 0.400 #05BRO/CUR + delta_h -1.980 #kJ/mol + # Enthalpy of formation: -2970.8 #kJ/mol #05BRO/CUR + -analytic 5.31194E-2 0E+0 1.03422E+2 0E+0 0E+0 + +- 15.000H+ + 4.000Zr+4 + 15.000H2O = Zr4(OH)15+ + log_k 12.580 #05BRO/CUR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.258E+1 0E+0 0E+0 0E+0 0E+0 + +- 16.000H+ + 4.000Zr+4 + 16.000H2O = Zr4(OH)16 + log_k 8.390 #05BRO/CUR + delta_h 301.120 #kJ/mol + # Enthalpy of formation: -6706.16 #kJ/mol #05BRO/CUR + -analytic 6.11439E+1 0E+0 -1.57286E+4 0E+0 0E+0 + +1.000Cl- + 1.000Zr+4 = ZrCl+3 + log_k 1.590 #05BRO/CUR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.59E+0 0E+0 0E+0 0E+0 0E+0 + +2.000Cl- + 1.000Zr+4 = ZrCl2+2 + log_k 2.170 #05BRO/CUR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.17E+0 0E+0 0E+0 0E+0 0E+0 + +1.000F- + 1.000Zr+4 = ZrF+3 + log_k 10.120 #05BRO/CUR + delta_h -17.500 #kJ/mol #05BRO/CUR + # Enthalpy of formation: -961.35 #kJ/mol + -analytic 7.05414E+0 0E+0 9.14087E+2 0E+0 0E+0 + +2.000F- + 1.000Zr+4 = ZrF2+2 + log_k 18.550 #05BRO/CUR + delta_h -16.800 #kJ/mol #05BRO/CUR + # Enthalpy of formation: -1296 #kJ/mol + -analytic 1.56068E+1 0E+0 8.77524E+2 0E+0 0E+0 + +3.000F- + 1.000Zr+4 = ZrF3+ + log_k 24.720 #05BRO/CUR + delta_h -11.200 #kJ/mol #05BRO/CUR + # Enthalpy of formation: -1625.75 #kJ/mol + -analytic 2.27578E+1 0E+0 5.85016E+2 0E+0 0E+0 + +4.000F- + 1.000Zr+4 = ZrF4 + log_k 30.110 #05BRO/CUR + delta_h -22.000 #kJ/mol #05BRO/CUR + # Enthalpy of formation: -1971.9 #kJ/mol + -analytic 2.62558E+1 0E+0 1.14914E+3 0E+0 0E+0 + +5.000F- + 1.000Zr+4 = ZrF5- + log_k 34.600 #05BRO/CUR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.46E+1 0E+0 0E+0 0E+0 0E+0 + +6.000F- + 1.000Zr+4 = ZrF6-2 + log_k 38.110 #05BRO/CUR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.811E+1 0E+0 0E+0 0E+0 0E+0 + +1.000NO3- + 1.000Zr+4 = ZrNO3+3 + log_k 1.590 #05BRO/CUR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.59E+0 0E+0 0E+0 0E+0 0E+0 + +1.000SO4-2 + 1.000Zr+4 = ZrSO4+2 + log_k 7.040 #05BRO/CUR + delta_h 36.940 #kJ/mol + # Enthalpy of formation: -1480.9 #kJ/mol #05BRO/CUR + -analytic 1.35116E+1 0E+0 -1.92951E+3 0E+0 0E+0 PHASES -Ca(HPO4)(s) -Ca(HPO4) = +1.000Ca+2 -1.000H+ +1.000H2(PO4)- - log_k 0.3 #84NAN - delta_h -24.098 kJ/mol # - # Enthalpy of formation: -1821.502 kJ/mol - - -Ca(NO3)2(s) -Ca(NO3)2 = +1.000Ca+2 +2.000NO3- - log_k 5.89 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Ca2Fe2O5(s) -Ca2Fe2O5 = +2.000Ca+2 +2.000Fe+3 -10.000H+ +5.000H2O - log_k 56.76 # - delta_h -473.87 kJ/mol # - # Enthalpy of formation: -2138.3 kJ/mol - - -CaF2:6H2O(s) -CaF2:6H2O = +1.000Ca+2 +2.000F- +6.000H2O - log_k -5.48 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -CaFe2O4(s) -CaFe2O4 = +1.000Ca+2 +2.000Fe+3 -8.000H+ +4.000H2O - log_k 21.24 #79ROB - delta_h -263.98 kJ/mol # - # Enthalpy of formation: -1520.34 kJ/mol - - -CaI2(s) -CaI2 = +1.000Ca+2 +2.000I- - log_k 22.5 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Cd3(PO4)2(s) -Cd3(PO4)2 = +3.000Cd+2 -4.000H+ +2.000H2(PO4)- - log_k 8.97 # - delta_h -206.96 kJ/mol # - # Enthalpy of formation: -2626 kJ/mol 01BEN/JEM - - -CdO(s) -CdO = +1.000Cd+2 -2.000H+ +1.000H2O - log_k 15.1 # - delta_h -103.4 kJ/mol # - # Enthalpy of formation: -258.35 kJ/mol 89COX/WAG - - -Gypsum -CaSO4:2H2O = +1.000Ca+2 +1.000SO4-2 +2.000H2O - log_k -4.61 # - delta_h -1.05 kJ/mol # - # Enthalpy of formation: -2022.95 kJ/mol 87GAR/PAR - - -Cd(SO4)(cr) -Cd(SO4) = +1.000Cd+2 +1.000SO4-2 - log_k -0.16 # - delta_h -51.98 kJ/mol # - # Enthalpy of formation: -933.28 kJ/mol 82WAG/EVA - - -Fluorite -CaF2 = +1.000Ca+2 +2.000F- - log_k -10.6 # - delta_h 19.623 kJ/mol # - # Enthalpy of formation: -1233.323 kJ/mol - - -Chloroapatite -Ca5Cl(PO4)3 = +5.000Ca+2 -6.000H+ +1.000Cl- +3.000H2(PO4)- - log_k 5.21 #68VAL/KOG - delta_h -132.541 kJ/mol # - # Enthalpy of formation: -6657.339 kJ/mol - - -Hydrophilite -CaCl2 = +1.000Ca+2 +2.000Cl- - log_k 11.77 # - delta_h -81.36 kJ/mol # - # Enthalpy of formation: -795.8 kJ/mol 98CHA - - -CaMg3(CO3)4(s) -CaMg3(CO3)4 = +1.000Ca+2 +3.000Mg+2 +4.000CO3-2 - log_k -30.81 # - delta_h -112.34 kJ/mol # - # Enthalpy of formation: -4532.58 kJ/mol 73HEM/ROB - - -Anapaite -Ca2Fe(PO4)2:4H2O = +2.000Ca+2 +1.000Fe+2 -4.000H+ +2.000H2(PO4)- +4.000H2O - log_k 5.02 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Ettringite -Ca6Al2(SO4)3(OH)12:26H2O = +6.000Ca+2 +2.000Al+3 -12.000H+ +3.000SO4-2 +38.000H2O - log_k 56.97 #10BLA/BOU - delta_h -379.83 kJ/mol # - # Enthalpy of formation: -17544.53 kJ/mol 10BLA/BOU - - -Hemicarboaluminate -Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O = +8.000Ca+2 +4.000Al+3 -26.000H+ +1.000CO3-2 +35.000H2O - log_k 173.2 #07MAT/LOT - delta_h -1188.595 kJ/mol # - # Enthalpy of formation: -15988.285 kJ/mol - - -Jennite -Ca9Si6O16(OH)10:6(H2O) = +9.000Ca+2 -18.000H+ +6.000H4(SiO4) +8.000H2O - log_k 147.33 #10BLA/BOU - delta_h -751.764 kJ/mol # - # Enthalpy of formation: -15189.04 kJ/mol 10BLA/BOU - - -Afwillite -Ca3Si2O4(OH)6 = +3.000Ca+2 -6.000H+ +2.000H4(SiO4) +2.000H2O - log_k 49.42 #10BLA/BOU - delta_h -269.228 kJ/mol # - # Enthalpy of formation: -4853.82 kJ/mol 10BLA/BOU - - -C4AH13 -Ca4Al2(OH)14:6H2O = +4.000Ca+2 +2.000Al+3 -14.000H+ +20.000H2O - log_k 103.65 #10BLA/BOU - delta_h -647.4 kJ/mol # - # Enthalpy of formation: -8318 kJ/mol 76HOU/STE - - -Katoite -Ca3Al2(SiO4)(OH)8 = +3.000Ca+2 +2.000Al+3 -12.000H+ +1.000H4(SiO4) +8.000H2O - log_k 71.16 #10BLA/BOU - delta_h -545.657 kJ/mol # - # Enthalpy of formation: -5907.977 kJ/mol - - -Stratlingite -Ca2Al2SiO3(OH)8:4H2O = +2.000Ca+2 +2.000Al+3 -10.000H+ +1.000H4(SiO4) +11.000H2O - log_k 49.66 #10BLA/BOU - delta_h -397.795 kJ/mol # - # Enthalpy of formation: -6370.329 kJ/mol - - -Hillebrandite -Ca2SiO3(OH)2:0.17H2O = +2.000Ca+2 -4.000H+ +1.000H4(SiO4) +1.170H2O - log_k 36.95 #10BLA/BOU - delta_h -219.135 kJ/mol # - # Enthalpy of formation: -2662.48 kJ/mol 56NEW - - -Foshagite -Ca4Si3O9(OH)2:0.5H2O = +4.000Ca+2 -8.000H+ +3.000H4(SiO4) -0.500H2O - log_k 65.96 #10BLA/BOU - delta_h -380.237 kJ/mol # - # Enthalpy of formation: -6032.43 kJ/mol 56NEW - - -Xonotlite -Ca6Si6O17(OH)2 = +6.000Ca+2 -12.000H+ +6.000H4(SiO4) -5.000H2O - log_k 91.34 #10BLA/BOU - delta_h -573.864 kJ/mol # - # Enthalpy of formation: -10022.15 kJ/mol 56NEW - - -Gyrolite -Ca2Si3O7.5(OH):2H2O = +2.000Ca+2 -4.000H+ +3.000H4(SiO4) -1.500H2O - log_k 22.34 #10BLA/BOU - delta_h -122.847 kJ/mol # - # Enthalpy of formation: -4917.99 kJ/mol 10BLA/BOU - - -Okenite -CaSi2O5:2H2O = +1.000Ca+2 -2.000H+ +2.000H4(SiO4) -1.000H2O - log_k 9.18 # - delta_h -44.388 kJ/mol # - # Enthalpy of formation: -3135.17 kJ/mol 10BLA/BOU - - -Ca(Ox):H2O(s) -Ca(Ox):H2O = +1.000Ca+2 +1.000Ox-2 +1.000H2O - log_k -8.73 #05HUM/AND - delta_h 21.5 kJ/mol # - # Enthalpy of formation: -1680.99 kJ/mol - - -Ca(Ox):2H2O(s) -Ca(Ox):2H2O = +1.000Ca+2 +1.000Ox-2 +2.000H2O - log_k -8.3 #05HUM/AND - delta_h 25.2 kJ/mol # - # Enthalpy of formation: -1970.52 kJ/mol - - -Ca(Ox):3H2O(s) -Ca(Ox):3H2O = +1.000Ca+2 +1.000Ox-2 +3.000H2O - log_k -8.19 #05HUM/AND - delta_h 29.7 kJ/mol # - # Enthalpy of formation: -2260.85 kJ/mol - - -Ca3(Cit)2:4H2O(s) -Ca3(Cit)2:4H2O = +3.000Ca+2 +2.000Cit-3 +4.000H2O - log_k -17.9 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Ca(HIsa)2(cr) -Ca(HIsa)2 = +1.000Ca+2 +2.000HIsa- - log_k -6.4 #05HUM/AND - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Ca(HGlu)2(s) -Ca(HGlu)2 = +1.000Ca+2 +2.000HGlu- - log_k -4.19 #99VAN/GLA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Bassanite -CaSO4:0.5H2O = +1.000Ca+2 +1.000SO4-2 +0.500H2O - log_k -3.92 #06BLA/PIA - delta_h -17.358 kJ/mol # - # Enthalpy of formation: -1577.897 kJ/mol - - -Ca(s) -Ca = +1.000Ca+2 +2.000e- - log_k 96.85 # - delta_h -543 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 89COX/WAG - - -CaCO3:H2O(s) -CaCO3:H2O = +1.000Ca+2 +1.000CO3-2 +1.000H2O - log_k -7.6 #73HUL/TUR - delta_h -5.77 kJ/mol # - # Enthalpy of formation: -1498.29 kJ/mol 73HUL/TUR - - -Anorthite -CaAl2Si2O8 = +1.000Ca+2 +2.000Al+3 -8.000H+ +2.000H4(SiO4) - log_k 25.31 # - delta_h -314.358 kJ/mol # - # Enthalpy of formation: -4227.83 kJ/mol 99ARN/STE - - -Antarcticite -CaCl2:6H2O = +1.000Ca+2 +2.000Cl- +6.000H2O - log_k 3.94 # - delta_h 13.99 kJ/mol # - # Enthalpy of formation: -2606.13 kJ/mol 87GAR/PAR - - -CaCl2:4H2O(cr) -CaCl2:4H2O = +1.000Ca+2 +2.000Cl- +4.000H2O - log_k 5.35 # - delta_h -11.31 kJ/mol # - # Enthalpy of formation: -2009.17 kJ/mol 87GAR/PAR - - -Ca4Cl2(OH)6:13H2O(s) -Ca4Cl2(OH)6:13H2O = +4.000Ca+2 -6.000H+ +2.000Cl- +19.000H2O - log_k 68.73 #84HAR/MOL - delta_h -271.93 kJ/mol # - # Enthalpy of formation: -7665 kJ/mol 82WAG/EVA - - -Ca2Cl2(OH)2:H2O(s) -Ca2Cl2(OH)2:H2O = +2.000Ca+2 -2.000H+ +2.000Cl- +3.000H2O - log_k 26.53 #84HAR/MOL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -CaCl2:2H2O(cr) -CaCl2:2H2O = +1.000Ca+2 +2.000Cl- +2.000H2O - log_k 7.95 # - delta_h -44.79 kJ/mol # - # Enthalpy of formation: -1404.03 kJ/mol 87GAR/PAR - - -CaCl2:H2O(s) -CaCl2:H2O = +1.000Ca+2 +2.000Cl- +1.000H2O - log_k 7.85 # - delta_h -52.16 kJ/mol # - # Enthalpy of formation: -1110.83 kJ/mol 87GAR/PAR - - -Gaylussite -CaNa2(CO3)2:5H2O = +1.000Ca+2 +2.000Na+ +2.000CO3-2 +5.000H2O - log_k -9.43 #99KON/KON - delta_h 31.099 kJ/mol # - # Enthalpy of formation: -3834.389 kJ/mol - - -Ca4H(PO4)3:2.5H2O(s) -Ca4H(PO4)3:2.5H2O = +4.000Ca+2 -5.000H+ +3.000H2(PO4)- +2.500H2O - log_k 11.81 #84NAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -CaCrO4(s) -CaCrO4 = +1.000Ca+2 +1.000CrO4-2 - log_k -3.15 #03DEA - delta_h -22.814 kJ/mol # - # Enthalpy of formation: -1399.186 kJ/mol - - -Ca6(Al(OH)6)2(CrO4)3:26H2O(s) -Ca6(Al(OH)6)2(CrO4)3:26H2O = +6.000Ca+2 +2.000Al+3 -12.000H+ +3.000CrO4-2 +38.000H2O - log_k 60.28 #00PER/PAL - delta_h -509.59 kJ/mol #00PER/PAL - # Enthalpy of formation: -17323.75 kJ/mol - - -Ca4Al2O6(CrO4):15H2O(s) -Ca4Al2O6(CrO4):15H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +1.000CrO4-2 +21.000H2O - log_k 71.36 #01PER/PAL - delta_h -545.98 kJ/mol #01PER/PAL - # Enthalpy of formation: -9584.25 kJ/mol - - -Monosulfoaluminate -Ca4Al2(SO4)(OH)12:6H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +1.000SO4-2 +18.000H2O - log_k 73.07 #10BLA/BOU - delta_h -539.4 kJ/mol # - # Enthalpy of formation: -8763.68 kJ/mol 10BLA/BOU - - -Monocarboaluminate -(CaO)3Al2O3:CaCO3:10.68H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +1.000CO3-2 +16.680H2O - log_k 70.3 #95DAM/GLA - delta_h -515.924 kJ/mol # - # Enthalpy of formation: -8175.75 kJ/mol 10BLA/BOU - - -Friedel-salt -Ca4Al2(OH)12Cl2:4H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +2.000Cl- +16.000H2O - log_k 74.93 #10BLA/BOU - delta_h -486.2 kJ/mol # - # Enthalpy of formation: -7670.04 kJ/mol 76HOU/STE - - -C3AH6 -Ca3Al2(OH)12 = +3.000Ca+2 +2.000Al+3 -12.000H+ +12.000H2O - log_k 80.32 #10BLA/BOU - delta_h -584.26 kJ/mol # - # Enthalpy of formation: -5551.5 kJ/mol 99SCH/NAV - - -Chabazite -CaAl2Si4O12:6H2O = +1.000Ca+2 +2.000Al+3 -8.000H+ +4.000H4(SiO4) +2.000H2O - log_k 11.54 # - delta_h -209.796 kJ/mol # - # Enthalpy of formation: -7826.44 kJ/mol 09BLA - - -Gismondine -Ca2Al4Si4O16:9H2O = +2.000Ca+2 +4.000Al+3 -16.000H+ +4.000H4(SiO4) +9.000H2O - log_k 39.01 # - delta_h -477.046 kJ/mol # - # Enthalpy of formation: -11179.8 kJ/mol 89CHE/RIM - - -C4FH13 -Ca4Fe2(OH)14:6H2O = +4.000Ca+2 +2.000Fe+3 -14.000H+ +20.000H2O - log_k 95.16 # - delta_h -569.2 kJ/mol # - # Enthalpy of formation: -7417.4 kJ/mol 10BLA/BOU - - -C3FH6 -Ca3Fe2(OH)12 = +3.000Ca+2 +2.000Fe+3 -12.000H+ +12.000H2O - log_k 72.39 # - delta_h -509.37 kJ/mol # - # Enthalpy of formation: -4647.59 kJ/mol 10BLA/BOU - - -Ettringite-Fe -Ca6Fe2(SO4)3(OH)12:26H2O = +6.000Ca+2 +2.000Fe+3 -12.000H+ +3.000SO4-2 +38.000H2O - log_k 54.55 #10BLA/BOU - delta_h -343.754 kJ/mol # - # Enthalpy of formation: -16601.806 kJ/mol - - -Monosulfate-Fe -Ca4Fe2(SO4)(OH)12:6H2O = +4.000Ca+2 +2.000Fe+3 -12.000H+ +1.000SO4-2 +18.000H2O - log_k 66.05 #10BLA/BOU - delta_h -477.312 kJ/mol # - # Enthalpy of formation: -7846.968 kJ/mol - - -Tobermorite-14A -Ca5Si6O16.5(OH):10H2O = +5.000Ca+2 -10.000H+ +6.000H4(SiO4) +3.500H2O - log_k 62.94 #10BLA/BOU - delta_h -307.419 kJ/mol # - # Enthalpy of formation: -12175.15 kJ/mol 10BLA/BOU - - -Tobermorite-11A -Ca5Si6O16.5(OH):5H2O = +5.000Ca+2 -10.000H+ +6.000H4(SiO4) -1.500H2O - log_k 65.58 #10BLA/BOU - delta_h -372.499 kJ/mol # - # Enthalpy of formation: -10680.92 kJ/mol 00ZUE/FEH - - -Epsonite -Mg(SO4):7H2O = +1.000Mg+2 +1.000SO4-2 +7.000H2O - log_k -1.88 #84HAR/MOL - delta_h 10.99 kJ/mol # - # Enthalpy of formation: -3388.14 kJ/mol - - -Mg(NO3)2(s) -Mg(NO3)2 = +1.000Mg+2 +2.000NO3- - log_k 15.5 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Mg(NO3)2:6H2O(s) -Mg(NO3)2:6H2O = +1.000Mg+2 +2.000NO3- +6.000H2O - log_k 2.58 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -MgBr2(s) -MgBr2 = +1.000Mg+2 +2.000Br- - log_k 27.8 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -MgBr2:6H2O(s) -MgBr2:6H2O = +1.000Mg+2 +2.000Br- +6.000H2O - log_k 5.22 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -MgCl2(s) -MgCl2 = +1.000Mg+2 +2.000Cl- - log_k 22.03 # - delta_h -159.54 kJ/mol # - # Enthalpy of formation: -641.62 kJ/mol 98CHA - - -MgCl2:2H2O(s) -MgCl2:2H2O = +1.000Mg+2 +2.000Cl- +2.000H2O - log_k 12.9 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -MgCl2:4H2O(s) -MgCl2:4H2O = +1.000Mg+2 +2.000Cl- +4.000H2O - log_k 7.44 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Bischofite -MgCl2:6H2O = +1.000Mg+2 +2.000Cl- +6.000H2O - log_k 4.46 #84HAR/MOL - delta_h -8.71 kJ/mol # - # Enthalpy of formation: -2507.43 kJ/mol - - -MgCl2:H2O(s) -MgCl2:H2O = +1.000Mg+2 +2.000Cl- +1.000H2O - log_k 16.22 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -MgI2(s) -MgI2 = +1.000Mg+2 +2.000I- - log_k 35 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Mg(SO4)(s) -Mg(SO4) = +1.000Mg+2 +1.000SO4-2 - log_k 9.1 # - delta_h -114.55 kJ/mol # - # Enthalpy of formation: -1261.79 kJ/mol 98CHA - - -Hexahydrite -Mg(SO4):6H2O = +1.000Mg+2 +1.000SO4-2 +6.000H2O - log_k -1.64 #84HAR/MOL - delta_h -4.625 kJ/mol # - # Enthalpy of formation: -3086.695 kJ/mol - - -Mg(SO4):H2O(s) -Mg(SO4):H2O = +1.000Mg+2 +1.000SO4-2 +1.000H2O - log_k -0.12 #84HAR/MOL - delta_h -51.464 kJ/mol # - # Enthalpy of formation: -1610.706 kJ/mol - - -Talc -Mg3Si4O10(OH)2 = +3.000Mg+2 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k 24.94 # - delta_h -210.356 kJ/mol # - # Enthalpy of formation: -5892.1 kJ/mol 01KAH/MAR - - -Hydrotalcite -Mg4Al2(OH)14:3H2O = +4.000Mg+2 +2.000Al+3 -14.000H+ +17.000H2O - log_k 73.74 #92ATK/GLA - delta_h -583.985 kJ/mol # - # Enthalpy of formation: -7219.925 kJ/mol - - -Magnesite(nat) -MgCO3 = +1.000Mg+2 +1.000CO3-2 - log_k -8.91 # - delta_h -24.29 kJ/mol # - # Enthalpy of formation: -1117.94 kJ/mol 99KON/KON - - -Mg(cr) -Mg = +1.000Mg+2 +2.000e- - log_k 79.78 # - delta_h -467 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 89COX/WAG - - -Leonhardtite -MgSO4:4H2O = +1.000Mg+2 +1.000SO4-2 +4.000H2O - log_k -0.89 #80HAR/WEA - delta_h -24.03 kJ/mol # - # Enthalpy of formation: -2495.63 kJ/mol 74NAU/RYZ - - -Mg-oxychlorur -Mg2Cl(OH)3:4H2O = +2.000Mg+2 -3.000H+ +1.000Cl- +7.000H2O - log_k 26.03 #84HAR/MOL - delta_h -154.69 kJ/mol # - # Enthalpy of formation: -2947.2 kJ/mol 82WAG/EVA - - -Pentahydrite -MgSO4:5H2O = +1.000Mg+2 +1.000SO4-2 +5.000H2O - log_k -1.28 #80HAR/WEA - delta_h -14.187 kJ/mol # - # Enthalpy of formation: -2791.303 kJ/mol - - -Tachyhydrite -Mg2CaCl6:12H2O = +1.000Ca+2 +2.000Mg+2 +6.000Cl- +12.000H2O - log_k 17.38 #84HAR/MOL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -MgCrO4(s) -MgCrO4 = +1.000Mg+2 +1.000CrO4-2 - log_k -86.99 # - delta_h 437.6 kJ/mol # - # Enthalpy of formation: -1783.6 kJ/mol 95ROB/HEM - - -Lizardite -Mg3Si2O5(OH)4 = +3.000Mg+2 -6.000H+ +2.000H4(SiO4) +1.000H2O - log_k 32.84 # - delta_h -245.718 kJ/mol # - # Enthalpy of formation: -4363.5 kJ/mol 04EVA - - -Hydrotalcite-CO3 -Mg4Al2(OH)12CO3:2H2O = +4.000Mg+2 +2.000Al+3 -12.000H+ +1.000CO3-2 +14.000H2O - log_k 50.86 #03JOH/GLA - delta_h -542.565 kJ/mol # - # Enthalpy of formation: -7079.085 kJ/mol - - -Clinochlore -Mg5Al2Si3O10(OH)8 = +5.000Mg+2 +2.000Al+3 -16.000H+ +3.000H4(SiO4) +6.000H2O - log_k 61.72 # - delta_h -600.772 kJ/mol # - # Enthalpy of formation: -8909.59 kJ/mol 05VID/PAR - - -Amesite -Mg4Al4Si2O10(OH)8 = +4.000Mg+2 +4.000Al+3 -20.000H+ +2.000H4(SiO4) +10.000H2O - log_k 69.42 # - delta_h -766.388 kJ/mol # - # Enthalpy of formation: -9035.9 kJ/mol 05VID/PAR - - -Sudoite -Mg2Al4Si3O10(OH)8 = +2.000Mg+2 +4.000Al+3 -16.000H+ +3.000H4(SiO4) +6.000H2O - log_k 37.96 # - delta_h -530.892 kJ/mol # - # Enthalpy of formation: -8655.27 kJ/mol 05VID/PAR - - -Truscottite -Ca7Si12O29(OH)4:H2O = +7.000Ca+2 -14.000H+ +12.000H4(SiO4) -14.000H2O - log_k 77.08 # - delta_h -479.088 kJ/mol # - # Enthalpy of formation: -16854.62 kJ/mol 10BLA/BOU - - -C2SH(alpha) -Ca2(HSiO4)(OH) = +2.000Ca+2 -4.000H+ +1.000H4(SiO4) +1.000H2O - log_k 35.54 # - delta_h -198.104 kJ/mol # - # Enthalpy of formation: -2634.92 kJ/mol 10BLA/BOU - - -Jaffeite -Ca6(Si2O7)(OH)6 = +6.000Ca+2 -12.000H+ +2.000H4(SiO4) +5.000H2O - log_k 114.06 # - delta_h -636.768 kJ/mol # - # Enthalpy of formation: -6972.77 kJ/mol 10BLA/BOU - - -Montmorillonite-BCCa -Ca0.17Mg0.34Al1.66Si4O10(OH)2 = +0.170Ca+2 +0.340Mg+2 +1.660Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k 4.28 # - delta_h -155.01 kJ/mol # - # Enthalpy of formation: -5691.28 kJ/mol 10BLA/VIE - - -Montmorillonite-BCMg -Mg0.17Mg0.34Al1.66Si4O10(OH)2 = +0.510Mg+2 +1.660Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k 4.53 # - delta_h -159.32 kJ/mol # - # Enthalpy of formation: -5674.05 kJ/mol 10BLA/VIE - - -Beidellite-Ca -Ca0.17Al2.34Si3.66O10(OH)2 = +0.170Ca+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k 5.55 # - delta_h -205.305 kJ/mol # - # Enthalpy of formation: -5740.24 kJ/mol 10BLA/VIE - - -Beidellite-Mg -Mg0.17Al2.34Si3.66O10(OH)2 = +0.170Mg+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k 5.76 # - delta_h -209.375 kJ/mol # - # Enthalpy of formation: -5723.25 kJ/mol 10BLA/VIE - - -Saponite-FeCa -Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 = +0.170Ca+2 +2.000Mg+2 +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k 26.56 # - delta_h -256.775 kJ/mol # - # Enthalpy of formation: -5635.97 kJ/mol 10BLA/VIE - - -Saponite-FeMg -Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 = +2.170Mg+2 +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k 26.75 # - delta_h -260.845 kJ/mol # - # Enthalpy of formation: -5618.98 kJ/mol 10BLA/VIE - - -Saponite-Ca -Ca0.17Mg3Al0.34Si3.66O10(OH)2 = +0.170Ca+2 +3.000Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k 28.08 # - delta_h -263.555 kJ/mol # - # Enthalpy of formation: -6006.19 kJ/mol 10BLA/VIE - - -Saponite-Mg -Mg3.17Al0.34Si3.66O10(OH)2 = +3.170Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k 28.29 # - delta_h -267.615 kJ/mol # - # Enthalpy of formation: -5989.21 kJ/mol 10BLA/VIE - - -Vermiculite-Ca -Ca0.43Mg3Si3.14Al0.86O10(OH)2 = +0.430Ca+2 +3.000Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) -0.560H2O - log_k 40 # - delta_h -376.408 kJ/mol # - # Enthalpy of formation: -6149.19 kJ/mol 10BLA/VIE - - -Vermiculite-Mg -Mg0.43Mg3Si3.14Al0.86O10(OH)2 = +3.430Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) -0.560H2O - log_k 38.61 # - delta_h -375.738 kJ/mol # - # Enthalpy of formation: -6117.18 kJ/mol 10BLA/VIE - - -HBeidellite-Ca -Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O = +0.170Ca+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) +1.810H2O - log_k 2.73 # - delta_h -163.802 kJ/mol # - # Enthalpy of formation: -7053.686 kJ/mol - - -HBeidellite-Mg -Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O = +0.170Mg+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) +1.970H2O - log_k 2.87 # - delta_h -167.402 kJ/mol # - # Enthalpy of formation: -7082.899 kJ/mol - - -HMontmorillonite-BCCa -Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O = +0.170Ca+2 +0.340Mg+2 +1.660Al+3 -6.000H+ +4.000H4(SiO4) +0.450H2O - log_k 1.46 # - delta_h -113.507 kJ/mol # - # Enthalpy of formation: -7004.726 kJ/mol - - -HMontmorillonite-BCMg -Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O = +0.510Mg+2 +1.660Al+3 -6.000H+ +4.000H4(SiO4) +0.610H2O - log_k 1.64 # - delta_h -117.347 kJ/mol # - # Enthalpy of formation: -7033.699 kJ/mol 10BLA/VIE - - -HSaponite-FeCa -Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O = +0.170Ca+2 +2.000Mg+2 +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.810H2O - log_k 23.74 # - delta_h -215.272 kJ/mol # - # Enthalpy of formation: -6949.416 kJ/mol 10BLA/VIE - - -HSaponite-FeMg -Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O = +2.170Mg+2 +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.970H2O - log_k 23.86 # - delta_h -218.872 kJ/mol # - # Enthalpy of formation: -6978.629 kJ/mol 10BLA/VIE - - -HSaponite-Ca -Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O = +0.170Ca+2 +3.000Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.810H2O - log_k 25.26 # - delta_h -222.052 kJ/mol # - # Enthalpy of formation: -7319.636 kJ/mol 10BLA/VIE - - -HSaponite-Mg -Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O = +3.170Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.970H2O - log_k 25.4 # - delta_h -225.642 kJ/mol # - # Enthalpy of formation: -7348.859 kJ/mol 10BLA/VIE - - -HVermiculite-Ca -Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O = +0.430Ca+2 +3.000Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) +3.890H2O - log_k 37.18 # - delta_h -334.906 kJ/mol # - # Enthalpy of formation: -7462.636 kJ/mol 10BLA/VIE - - -HVermiculite-Mg -Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O = +3.430Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) +4.050H2O - log_k 35.72 # - delta_h -333.766 kJ/mol # - # Enthalpy of formation: -7476.829 kJ/mol 10BLA/VIE - - -CSH1.6 -Ca1.6SiO3.6:2.58H2O = +1.600Ca+2 -3.200H+ +1.000H4(SiO4) +2.180H2O - log_k 28 #10BLA/BOU - delta_h -133.313 kJ/mol # - # Enthalpy of formation: -2819.79 kJ/mol 10BLA/BOU - - -CSH1.2 -Ca1.2SiO3.2:2.06H2O = +1.200Ca+2 -2.400H+ +1.000H4(SiO4) +1.260H2O - log_k 19.3 #10BLA/BOU - delta_h -88.6 kJ/mol # - # Enthalpy of formation: -2384.34 kJ/mol 10BLA/BOU - - -CSH0.8 -Ca0.8SiO2.8:1.54H2O = +0.800Ca+2 -1.600H+ +1.000H4(SiO4) +0.340H2O - log_k 11.05 #10BLA/BOU - delta_h -47.646 kJ/mol # - # Enthalpy of formation: -1945.13 kJ/mol 10BLA/BOU - - -Smectite MX80(5.441H2O) -(Ca0.01Na0.434K0.026)(Si3.612Al0.388)(Al1.608Fe0.184Fe0.038Mg0.228)O10(OH)2:5.441H2O = +0.010Ca+2 +0.228Mg+2 +0.026K+ +0.434Na+ +0.184Fe+3 +0.038Fe+2 +1.996Al+3 -7.552H+ +3.612H4(SiO4) +2.993H2O - log_k 6.97 # - delta_h -193.494 kJ/mol # - # Enthalpy of formation: -7249.68 kJ/mol 09GAI - - -Smectite MX80(4.184H2O) -(Ca0.01Na0.434K0.026)(Si3.612Al0.388)(Al1.608Fe0.184Fe0.038Mg0.228)O10(OH)2:4.183H2O = +0.010Ca+2 +0.228Mg+2 +0.026K+ +0.434Na+ +0.184Fe+3 +0.038Fe+2 +1.996Al+3 -7.552H+ +3.612H4(SiO4) +1.735H2O - log_k 6.73 # - delta_h -198.575 kJ/mol # - # Enthalpy of formation: -6885.31 kJ/mol 09GAI - - -Ripidolite -(Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 = +0.011Ca+2 +2.964Mg+2 +0.215Fe+3 +1.712Fe+2 +2.483Al+3 -17.468H+ +2.633H4(SiO4) +7.468H2O - log_k 61.36 # - delta_h -633.375 kJ/mol # - # Enthalpy of formation: -8240.15 kJ/mol 09GAI - - -Antigorite -Mg48Si34O85(OH)62 = +48.000Mg+2 -96.000H+ +34.000H4(SiO4) +11.000H2O - log_k 500.16 # - delta_h -3822.746 kJ/mol # - # Enthalpy of formation: -71417.98 kJ/mol 98HOL/POL - - -SrCrO4(s) -SrCrO4 = +1.000Sr+2 +1.000CrO4-2 - log_k -4.65 #97MAR/SMI - delta_h -10.125 kJ/mol #97MAR/SMI - # Enthalpy of formation: -1419.775 kJ/mol - - -Sr(cr) -Sr = +1.000Sr+2 +2.000e- - log_k 98.79 # - delta_h -550.9 kJ/mol # - # Enthalpy of formation: 0 kJ/mol - - -Sr(OH)2:8H2O(s) -Sr(OH)2:8H2O = +1.000Sr+2 -2.000H+ +10.000H2O - log_k 24.32 #98FEL/DIX - delta_h -57 kJ/mol # - # Enthalpy of formation: -3352.2 kJ/mol 82WAG/EVA - - -SrSiO3(s) -SrSiO3 = +1.000Sr+2 -2.000H+ +1.000H4(SiO4) -1.000H2O - log_k 13.16 # - delta_h -80.278 kJ/mol # - # Enthalpy of formation: -1645.986 kJ/mol 74NAU/RYZ - - -Sr2SiO4(s) -Sr2SiO4 = +2.000Sr+2 -4.000H+ +1.000H4(SiO4) - log_k 43.25 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Sr5(PO4)3(OH)(s) -Sr5(PO4)3(OH) = +5.000Sr+2 -7.000H+ +3.000H2(PO4)- +1.000H2O - log_k 7.17 #05KIM/PAR - delta_h -261.63 kJ/mol # - # Enthalpy of formation: -6686.5 kJ/mol 95JEM/CHE - - -K2O(s) -K2O = +2.000K+ -2.000H+ +1.000H2O - log_k 84.11 # - delta_h -426.94 kJ/mol # - # Enthalpy of formation: -363.17 kJ/mol 98CHA - - -KBr(s) -KBr = +1.000K+ +1.000Br- - log_k 1.13 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -KI(s) -KI = +1.000K+ +1.000I- - log_k 1.74 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -K(NO3)(s) -K(NO3) = +1.000K+ +1.000NO3- - log_k -0.1 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -K(OH)(s) -K(OH) = +1.000K+ -1.000H+ +1.000H2O - log_k 24.6 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Sylvite -KCl = +1.000K+ +1.000Cl- - log_k 0.87 # - delta_h 17.46 kJ/mol # - # Enthalpy of formation: -436.68 kJ/mol 98CHA - - -K(cr) -K = +1.000K+ +1.000e- - log_k 49.49 # - delta_h -252.14 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 89COX/WAG - - -Sanidine -KAlSi3O8 = +1.000K+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -4.000H2O - log_k 0.58 # - delta_h -65.073 kJ/mol # - # Enthalpy of formation: -3965.73 kJ/mol 99ARN/STE - - -Muscovite -KAl3Si3O10(OH)2 = +1.000K+ +3.000Al+3 -10.000H+ +3.000H4(SiO4) - log_k 14.02 # - delta_h -276.122 kJ/mol # - # Enthalpy of formation: -5974.8 kJ/mol 95HAS/CYG - - -Carnallite -KMgCl3:6H2O = +1.000Mg+2 +1.000K+ +3.000Cl- +6.000H2O - log_k 4.33 #84HAR/MOL - delta_h 9.339 kJ/mol # - # Enthalpy of formation: -2944.699 kJ/mol 74NAU/RYZ - - -Kainite -KMgCl(SO4):3H2O = +1.000Mg+2 +1.000K+ +1.000SO4-2 +1.000Cl- +3.000H2O - log_k -0.19 #84HAR/MOL - delta_h -12.95 kJ/mol # - # Enthalpy of formation: -2640.1 kJ/mol 82WAG/EVA - - -Kalicinite -KHCO3 = +1.000K+ +1.000H+ +1.000CO3-2 - log_k -10.06 #84HAR/MOL - delta_h 34.95 kJ/mol # - # Enthalpy of formation: -962.32 kJ/mol 74NAU/RYZ - - -K-carbonate -K2CO3:1.5H2O = +2.000K+ +1.000CO3-2 +1.500H2O - log_k 3.03 #84HAR/MOL - delta_h -1.188 kJ/mol # - # Enthalpy of formation: -1607.067 kJ/mol - - -K-trona -K2NaH(CO3)2:2H2O = +2.000K+ +1.000Na+ +1.000H+ +2.000CO3-2 +2.000H2O - log_k -9.1 #84HAR/MOL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Leonite -K2Mg(SO4)2:4H2O = +1.000Mg+2 +2.000K+ +2.000SO4-2 +4.000H2O - log_k -3.98 #84HAR/MOL - delta_h 15.29 kJ/mol # - # Enthalpy of formation: -3948.57 kJ/mol 74NAU/RYZ - - -Mercallite -KHSO4 = +1.000K+ +1.000H+ +1.000SO4-2 - log_k -1.4 #84HAR/MOL - delta_h -0.59 kJ/mol # - # Enthalpy of formation: -1160.89 kJ/mol 74NAU/RYZ - - -Picromerite -K2Mg(SO4)2:6H2O = +1.000Mg+2 +2.000K+ +2.000SO4-2 +6.000H2O - log_k -4.33 #84HAR/MOL - delta_h 33.487 kJ/mol # - # Enthalpy of formation: -4538.427 kJ/mol 74NAU/RYZ - - -Polyhalite -K2MgCa2(SO4)4:2H2O = +2.000Ca+2 +1.000Mg+2 +2.000K+ +4.000SO4-2 +2.000H2O - log_k -13.74 #84HAR/MOL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Syngenite -K2Ca(SO4)2:6H2O = +1.000Ca+2 +2.000K+ +2.000SO4-2 +6.000H2O - log_k -7.45 #84HAR/MOL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Arcanite -K2SO4 = +2.000K+ +1.000SO4-2 - log_k -1.85 # - delta_h 24.08 kJ/mol # - # Enthalpy of formation: -1437.7 kJ/mol 95ROB/HEM - - -KH2PO4(cr) -KH2PO4 = +1.000K+ +1.000H2(PO4)- - log_k -0.37 # - delta_h 19.686 kJ/mol #74NAU/RYZ - # Enthalpy of formation: -1574.426 kJ/mol - - -K2CO3(cr) -K2CO3 = +2.000K+ +1.000CO3-2 - log_k 5.41 # - delta_h -31.798 kJ/mol # - # Enthalpy of formation: -1147.712 kJ/mol - - -KAl(SO4)2:12H2O(s) -KAl(SO4)2:12H2O = +1.000K+ +1.000Al+3 +2.000SO4-2 +12.000H2O - log_k -6.68 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -KAl(SO4)2(s) -KAl(SO4)2 = +1.000K+ +1.000Al+3 +2.000SO4-2 - log_k 3.74 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -KFe3(CrO4)2(OH)6(cr) -KFe3(CrO4)2(OH)6 = +1.000K+ +3.000Fe+3 -6.000H+ +2.000CrO4-2 +6.000H2O - log_k -18.4 #95BAR/PAL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -KFe(CrO4)2:2H2O(s) -KFe(CrO4)2:2H2O = +1.000K+ +1.000Fe+3 +2.000CrO4-2 +2.000H2O - log_k -19.39 #98BAR/PAL - delta_h 27.54 kJ/mol #85BAR/PAL - # Enthalpy of formation: -2658.34 kJ/mol - - -Beidellite-K -K0.34Al2.34Si3.66O10(OH)2 = +0.340K+ +2.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k 3.95 # - delta_h -186.822 kJ/mol # - # Enthalpy of formation: -5752.14 kJ/mol 10BLA/VIE - - -CeladoniteMg -KMgAlSi4O10(OH)2 = +1.000Mg+2 +1.000K+ +1.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k 8.72 # - delta_h -114.516 kJ/mol # - # Enthalpy of formation: -5844.48 kJ/mol 98HOL/POW - - -CeladoniteFe -KFeAlSi4O10(OH)2 = +1.000K+ +1.000Fe+2 +1.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k 3.72 # - delta_h -84.676 kJ/mol # - # Enthalpy of formation: -5497.32 kJ/mol 98HOL/POW - - -Montmorillonite-BCK -K0.34Mg0.34Al1.66Si4O10(OH)2 = +0.340Mg+2 +0.340K+ +1.660Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k 2.45 # - delta_h -135.268 kJ/mol # - # Enthalpy of formation: -5704.44 kJ/mol 10BLA/VIE - - -Saponite-FeK -K0.34Mg2FeAl0.34Si3.66O10(OH)2 = +2.000Mg+2 +0.340K+ +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k 24.95 # - delta_h -238.292 kJ/mol # - # Enthalpy of formation: -5647.87 kJ/mol 10BLA/VIE - - -Saponite-K -K0.34Mg3Al0.34Si3.66O10(OH)2 = +3.000Mg+2 +0.340K+ +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k 26.48 # - delta_h -245.072 kJ/mol # - # Enthalpy of formation: -6018.09 kJ/mol 10BLA/VIE - - -Illite-Mg -K0.85Mg0.25Al2.35Si3.4O10(OH)2 = +0.250Mg+2 +0.850K+ +2.350Al+3 -8.400H+ +3.400H4(SiO4) -1.600H2O - log_k 10.28 # - delta_h -221.061 kJ/mol # - # Enthalpy of formation: -5885.98 kJ/mol 10BLA/VIE - - -Illite-FeII -K0.85Fe0.25Al2.35Si3.4O10(OH)2 = +0.850K+ +0.250Fe+2 +2.350Al+3 -8.400H+ +3.400H4(SiO4) -1.600H2O - log_k 8.76 # - delta_h -212.081 kJ/mol # - # Enthalpy of formation: -5800.71 kJ/mol 10BLA/VIE - - -illite-FeIII -K0.85Fe0.25Al2.6Si3.15O10(OH)2 = +0.850K+ +0.250Fe+3 +2.600Al+3 -9.400H+ +3.150H4(SiO4) -0.600H2O - log_k 10.67 # - delta_h -253.442 kJ/mol # - # Enthalpy of formation: -5804.23 kJ/mol 10BLA/VIE - - -Illite-Al -K0.85Al2.85Si3.15O10(OH)2 = +0.850K+ +2.850Al+3 -9.400H+ +3.150H4(SiO4) -0.600H2O - log_k 11.62 # - delta_h -260.722 kJ/mol # - # Enthalpy of formation: -5919.3 kJ/mol 10BLA/VIE - - -Vermiculite-K -K0.86Mg3.00Si3.14Al0.86O10(OH)2 = +3.000Mg+2 +0.860K+ +0.860Al+3 -9.440H+ +3.140H4(SiO4) -0.560H2O - log_k 35.36 # - delta_h -324.539 kJ/mol # - # Enthalpy of formation: -6184.41 kJ/mol 10BLA/VIE - - -HBeidellite-K -K0.34Al2.34Si3.66O10(OH)2:1.96H2O = +0.340K+ +2.340Al+3 -7.360H+ +3.660H4(SiO4) -0.680H2O - log_k 3.53 # - delta_h -176.312 kJ/mol # - # Enthalpy of formation: -6322.877 kJ/mol - - -HMontmorillonite-BCK -K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O = +0.340Mg+2 +0.340K+ +1.660Al+3 -6.000H+ +4.000H4(SiO4) -2.040H2O - log_k 2.04 # - delta_h -124.758 kJ/mol # - # Enthalpy of formation: -6275.177 kJ/mol 10BLA/VIE - - -HSaponite-FeK -K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O = +2.000Mg+2 +0.340K+ +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -0.680H2O - log_k 24.53 # - delta_h -227.782 kJ/mol # - # Enthalpy of formation: -6218.607 kJ/mol 10BLA/VIE - - -HSaponite-K -K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O = +3.000Mg+2 +0.340K+ +0.340Al+3 -7.360H+ +3.660H4(SiO4) -0.680H2O - log_k 26.06 # - delta_h -234.562 kJ/mol # - # Enthalpy of formation: -6588.827 kJ/mol 10BLA/VIE - - -HVermiculite-K -K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O = +3.000Mg+2 +0.860K+ +0.860Al+3 -9.440H+ +3.140H4(SiO4) +1.400H2O - log_k 34.94 # - delta_h -314.029 kJ/mol # - # Enthalpy of formation: -6755.147 kJ/mol 10BLA/VIE - - -Thermonatrite -Na2(CO3):H2O = +2.000Na+ +1.000CO3-2 +1.000H2O - log_k 0.48 #84HAR/MOL - delta_h -12.04 kJ/mol # - # Enthalpy of formation: -1429.7 kJ/mol 82VAN - - -Dawsonite -NaAl(CO3)(OH)2 = +1.000Na+ +1.000Al+3 -2.000H+ +1.000CO3-2 +2.000H2O - log_k -6 # - delta_h -61.63 kJ/mol # - # Enthalpy of formation: -1964 kJ/mol 76FER/STU - - -Na2O(cr) -Na2O = +2.000Na+ -2.000H+ +1.000H2O - log_k 67.46 # - delta_h -351.71 kJ/mol # - # Enthalpy of formation: -414.8 kJ/mol 95ROB/HEM - - -Acmite -NaFeSi2O6 = +1.000Na+ +1.000Fe+3 -4.000H+ +2.000H4(SiO4) -2.000H2O - log_k 0.92 # - delta_h -55.568 kJ/mol # - # Enthalpy of formation: -2584.5 kJ/mol 95ROB/HEM - - -Halite -NaCl = +1.000Na+ +1.000Cl- - log_k 1.59 # - delta_h 3.7 kJ/mol # - # Enthalpy of formation: -411.12 kJ/mol 98CHA - - -NaF(s) -NaF = +1.000Na+ +1.000F- - log_k -0.48 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Nahcolite -Na(HCO3) = +1.000Na+ +1.000H+ +1.000CO3-2 - log_k -10.74 #84HAR/MOL - delta_h 33.43 kJ/mol # - # Enthalpy of formation: -949 kJ/mol 82VAN - - -Na(NO3)(s) -Na(NO3) = +1.000Na+ +1.000NO3- - log_k 1.09 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Natron -Na2(CO3):10H2O = +2.000Na+ +1.000CO3-2 +10.000H2O - log_k -0.83 #84HAR/MOL - delta_h 64.87 kJ/mol # - # Enthalpy of formation: -4079 kJ/mol - - -NaBO2(s) -NaBO2 = +1.000Na+ +1.000B(OH)4- -2.000H2O - log_k 3.62 # - delta_h -36.79 kJ/mol # - # Enthalpy of formation: -977.006 kJ/mol - - -NaAmO2CO3(s) -NaAmO2CO3 = +1.000Na+ +1.000AmO2+ +1.000CO3-2 - log_k -10.9 #94GIF, 94RUN/KIM, 94RUN/NEU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Albite-low -NaAlSi3O8 = +1.000Na+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -4.000H2O - log_k 2.74 # - delta_h -82.813 kJ/mol # - # Enthalpy of formation: -3936.19 kJ/mol 99ARN/STE - - -Albite-high -NaAlSi3O8 = +1.000Na+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -4.000H2O - log_k 4.14 # - delta_h -95.623 kJ/mol # - # Enthalpy of formation: -3923.38 kJ/mol 99ARN/STE - - -Bloedite -Na2Mg(SO4)2:4H2O = +1.000Mg+2 +2.000Na+ +2.000SO4-2 +4.000H2O - log_k -2.35 #84HAR/MOL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Burkeite -Na6(CO3)(SO4)2 = +6.000Na+ +1.000CO3-2 +2.000SO4-2 - log_k -0.77 #84HAR/MOL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Glaserite -Na2K6(SO4)4 = +6.000K+ +2.000Na+ +4.000SO4-2 - log_k -7.61 #80HAR/WEA - delta_h 78.36 kJ/mol # - # Enthalpy of formation: -5709.24 kJ/mol - - -Glauberite -Na2Ca(SO4)2 = +1.000Ca+2 +2.000Na+ +2.000SO4-2 - log_k 1.97 #84HAR/MOL - delta_h -13.16 kJ/mol # - # Enthalpy of formation: -2829.2 kJ/mol 82WAG/EVA - - -Mirabilite -Na2SO4:10H2O = +2.000Na+ +1.000SO4-2 +10.000H2O - log_k -1.23 #84HAR/MOL - delta_h 79.471 kJ/mol # - # Enthalpy of formation: -4327.791 kJ/mol - - -Thernardite -Na2SO4 = +2.000Na+ +1.000SO4-2 - log_k -0.36 # - delta_h -2.2 kJ/mol # - # Enthalpy of formation: -1387.82 kJ/mol 98CHA - - -Na(cr) -Na = +1.000Na+ +1.000e- - log_k 45.89 # - delta_h -240.34 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 92GRE/FUG (89COX/WAG) - - -Na2(CO3)(cr) -Na2(CO3) = +2.000Na+ +1.000CO3-2 - log_k 1.12 # - delta_h -26.71 kJ/mol # - # Enthalpy of formation: -1129.2 kJ/mol 95ROB/HEM - - -NaH2PO4(cr) -NaH2PO4 = +1.000Na+ +1.000H2(PO4)- - log_k 2.3 # - delta_h -6.14 kJ/mol # - # Enthalpy of formation: -1536.8 kJ/mol 82WAG/EVA - - -Na2HPO4(cr) -Na2HPO4 = +2.000Na+ -1.000H+ +1.000H2(PO4)- - log_k 9.24 # - delta_h -35.18 kJ/mol # - # Enthalpy of formation: -1748.1 kJ/mol 82WAG/EVA - - -Na3PO4(cr) -Na3PO4 = +3.000Na+ -2.000H+ +1.000H2(PO4)- - log_k 23.52 # - delta_h -106.218 kJ/mol # - # Enthalpy of formation: -1917.402 kJ/mol 74NAU/RIZ - - -Trona -Na3H(CO3)2:2H2O = +3.000Na+ +1.000H+ +2.000CO3-2 +2.000H2O - log_k -11.38 #84HAR/MOL - delta_h 38.96 kJ/mol # - # Enthalpy of formation: -2682.1 kJ/mol 82VAN - - -Pirssonite -Na2Ca(CO3)2:2H2O = +1.000Ca+2 +2.000Na+ +2.000CO3-2 +2.000H2O - log_k -8.91 #99KON/KON - delta_h 9.58 kJ/mol # - # Enthalpy of formation: -2955.38 kJ/mol - - -Na2CO3:7H2O(s) -Na2CO3:7H2O = +2.000Na+ +1.000CO3-2 +7.000H2O - log_k -0.46 #84HAR/MOL - delta_h 42.682 kJ/mol # - # Enthalpy of formation: -3199.402 kJ/mol - - -NaSm(CO3)2:5H2O(s) -NaSm(CO3)2:5H2O = +1.000Na+ +1.000Sm+3 +2.000CO3-2 +5.000H2O - log_k -20.99 #Estimated by ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -NaEu(CO3)2:5H2O(s) -NaEu(CO3)2:5H2O = +1.000Na+ +1.000Eu+3 +2.000CO3-2 +5.000H2O - log_k -20.9 #05VER/VIT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -NaHo(CO3)2:5H2O(s) -NaHo(CO3)2:5H2O = +1.000Na+ +1.000Ho+3 +2.000CO3-2 +5.000H2O - log_k -20.5 #Estimated by ionic radii correlation - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -NaCm(CO3)2:5H2O(s) -NaCm(CO3)2:5H2O = +1.000Na+ +2.000CO3-2 +1.000Cm+3 +5.000H2O - log_k -21 #estimated by correlation with Ln(III) and An(III) - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Beidellite-Na -Na0.34Al2.34Si3.66O10(OH)2 = +0.340Na+ +2.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k 5.08 # - delta_h -197 kJ/mol # - # Enthalpy of formation: -5737.95 kJ/mol 10BLA/VIE - - -Montmorillonite-BCNa -Na0.34Mg0.34Al1.66Si4O10(OH)2 = +0.340Mg+2 +0.340Na+ +1.660Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k 3.68 # - delta_h -145.946 kJ/mol # - # Enthalpy of formation: -5689.75 kJ/mol 10BLA/VIE - - -Saponite-FeNa -Na0.34Mg2FeAl0.34Si3.66O10(OH)2 = +2.000Mg+2 +0.340Na+ +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k 26.09 # - delta_h -248.47 kJ/mol # - # Enthalpy of formation: -5633.68 kJ/mol 10BLA/VIE - - -Saponite-Na -Na0.34Mg3Al0.34Si3.66O10(OH)2 = +3.000Mg+2 +0.340Na+ +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k 27.61 # - delta_h -255.25 kJ/mol # - # Enthalpy of formation: -6003.9 kJ/mol 10BLA/VIE - - -Vermiculite-Na -Na0.86Mg3.00Si3.14Al0.86O10(OH)2 = +3.000Mg+2 +0.860Na+ +0.860Al+3 -9.440H+ +3.140H4(SiO4) -0.560H2O - log_k 37.9 # - delta_h -348.351 kJ/mol # - # Enthalpy of formation: -6150.45 kJ/mol 10BLA/VIE - - -HBeidellite-Na -Na0.34Al2.34Si3.66O10(OH)2:3.84H2O = +0.340Na+ +2.340Al+3 -7.360H+ +3.660H4(SiO4) +1.200H2O - log_k 3.57 # - delta_h -181.033 kJ/mol # - # Enthalpy of formation: -6851.505 kJ/mol - - -HMontmorillonite-BCNa -Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O = +0.340Mg+2 +0.340Na+ +1.660Al+3 -6.000H+ +4.000H4(SiO4) -0.160H2O - log_k 2.17 # - delta_h -129.978 kJ/mol # - # Enthalpy of formation: -6803.305 kJ/mol 10BLA/VIE - - -HSaponite-FeNa -Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O = +2.000Mg+2 +0.340Na+ +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.200H2O - log_k 24.58 # - delta_h -232.503 kJ/mol # - # Enthalpy of formation: -6747.235 kJ/mol 10BLA/VIE - - -HSaponite-Na -Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O = +3.000Mg+2 +0.340Na+ +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.200H2O - log_k 26.1 # - delta_h -239.283 kJ/mol # - # Enthalpy of formation: -7117.455 kJ/mol 10BLA/VIE - - -HVermiculite-Na -Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O = +3.000Mg+2 +0.860Na+ +0.860Al+3 -9.440H+ +3.140H4(SiO4) +3.280H2O - log_k 36.39 # - delta_h -332.383 kJ/mol # - # Enthalpy of formation: -7264.005 kJ/mol 10BLA/VIE - - -Illite-Smectite-ISCz-1(2.996 H2O) -(Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.966H2O = +0.218Mg+2 +0.530K+ +0.134Na+ +0.050Fe+3 +0.017Fe+2 +2.152Al+3 -7.740H+ +3.565H4(SiO4) +0.706H2O - log_k 13.66 # - delta_h -225.29 kJ/mol # - # Enthalpy of formation: -6624.5 kJ/mol 09GAI - - -Illite-Smectite-ISCz-1 -(Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2 = +0.218Mg+2 +0.530K+ +0.134Na+ +0.050Fe+3 +0.017Fe+2 +2.152Al+3 -7.740H+ +3.565H4(SiO4) -2.260H2O - log_k 12.89 # - delta_h -232.023 kJ/mol # - # Enthalpy of formation: -5761.42 kJ/mol 09GAI - - -Illite-Imt-2 -(Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 = +0.241Mg+2 +0.762K+ +0.044Na+ +0.292Fe+3 +0.084Fe+2 +2.040Al+3 -8.452H+ +3.387H4(SiO4) -1.548H2O - log_k 10.95 # - delta_h -228.346 kJ/mol # - # Enthalpy of formation: -5713.71 kJ/mol 09GAI - - -Lepidocrocite -FeOOH = +1.000Fe+3 -3.000H+ +2.000H2O - log_k 0.75 #98DIA in 98CHI - delta_h -64.26 kJ/mol # - # Enthalpy of formation: -556.4 kJ/mol - - -Maghemite(ord) -Fe2O3 = +2.000Fe+3 -6.000H+ +3.000H2O - log_k 3.52 #98DIA in 98CHI - delta_h -149.69 kJ/mol # - # Enthalpy of formation: -805.8 kJ/mol - - -Maghemite(disord) -Fe2O3 = +2.000Fe+3 -6.000H+ +3.000H2O - log_k 3.31 #98DIA in 98CHI - delta_h -149.69 kJ/mol # - # Enthalpy of formation: -805.8 kJ/mol - - -Ferryhydrite -Fe(OH)3 = +1.000Fe+3 -3.000H+ +3.000H2O - log_k 1.19 #05GRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -FeAl2O4(s) -FeAl2O4 = +1.000Fe+2 +2.000Al+3 -8.000H+ +4.000H2O - log_k 27.2 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Fe5(OH)(PO4)3(s) -Fe5(OH)(PO4)3 = +5.000Fe+2 -7.000H+ +3.000H2(PO4)- +1.000H2O - log_k -402.32 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -FeO(s) -FeO = +1.000Fe+2 -2.000H+ +1.000H2O - log_k 13.37 #95ROB/HEM - delta_h -103.83 kJ/mol # - # Enthalpy of formation: -272 kJ/mol - - -Lawrencite -FeCl2 = +1.000Fe+2 +2.000Cl- - log_k 8.89 # - delta_h -82.46 kJ/mol # - # Enthalpy of formation: -341.7 kJ/mol 95ROB/HEM - - -Fe(s) -Fe = +1.000Fe+2 +2.000e- - log_k 15.86 #95PAR/KHO in 98CHI - delta_h -90 kJ/mol # - # Enthalpy of formation: 0 kJ/mol - - -Vivianite -Fe3(PO4)2:8H2O = +3.000Fe+2 -4.000H+ +2.000H2(PO4)- +8.000H2O - log_k 3.12 # - delta_h -9.561 kJ/mol # - # Enthalpy of formation: -5152.279 kJ/mol - - -Magnetite -Fe3O4 = +2.000Fe+3 +1.000Fe+2 -8.000H+ +4.000H2O - log_k 10.41 # - delta_h -215.92 kJ/mol # - # Enthalpy of formation: -1115.4 kJ/mol 88ONE - - -Fayalite -Fe2(SiO4) = +2.000Fe+2 -4.000H+ +1.000H4(SiO4) - log_k 19.51 # - delta_h -163.054 kJ/mol # - # Enthalpy of formation: -1478.14 kJ/mol 95ROB/HEM - - -Troilite -FeS = +1.000Fe+2 -1.000H+ +1.000HS- - log_k -5.31 #91DAV - delta_h 2.015 kJ/mol # - # Enthalpy of formation: -108.315 kJ/mol - - -Mackinawite -FeS = +1.000Fe+2 -1.000H+ +1.000HS- - log_k -3.6 #91DAV - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -FeS(am) -FeS = +1.000Fe+2 -1.000H+ +1.000HS- - log_k -2.95 #91DAV - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Ferroselite -FeSe2 = +1.000Fe+2 -2.000H+ -2.000e- +2.000HSe- - log_k -17.13 #05OLI/NOL - delta_h 47.3 kJ/mol # - # Enthalpy of formation: -108.7 kJ/mol 05OLI/NOL - - -Melanterite -FeSO4:7H2O = +1.000Fe+2 +1.000SO4-2 +7.000H2O - log_k -2.21 #90NOR/PLU - delta_h 20.543 kJ/mol # - # Enthalpy of formation: -3020.693 kJ/mol - - -Fe7Se8(alfa) -Fe7Se8 = +7.000Fe+2 -8.000H+ -2.000e- +8.000HSe- - log_k -35.6 # - delta_h -52.1 kJ/mol # - # Enthalpy of formation: -463.5 kJ/mol 05OLI/NOL - - -Fe3Se4(gamma) -Fe3Se4 = +3.000Fe+2 -4.000H+ -2.000e- +4.000HSe- - log_k -25.6 # - delta_h 22.2 kJ/mol # - # Enthalpy of formation: -235 kJ/mol 05OLI/NOL - - -Fe1.04Se(beta) -Fe1.04Se = +1.040Fe+2 -1.000H+ +0.080e- +1.000HSe- - log_k -3.4 # - delta_h -9.7 kJ/mol # - # Enthalpy of formation: -69.6 kJ/mol 05OLI/NOL - - -Chromite -FeCr2O4 = +1.000Fe+2 -8.000H+ +2.000Cr+3 +4.000H2O - log_k 15.12 # - delta_h -268.82 kJ/mol # - # Enthalpy of formation: -1445.5 kJ/mol 95ROB/HEM - - -Chamosite -Fe5Al2Si3O10(OH)8 = +5.000Fe+2 +2.000Al+3 -16.000H+ +3.000H4(SiO4) +6.000H2O - log_k 47.6 # - delta_h -504.512 kJ/mol # - # Enthalpy of formation: -7120.85 kJ/mol 05VID/VIE - - -Berthierine -Fe1.82Fe0.34Al0.67(Si1.33Al0.67O5)(OH)4 = +0.340Fe+3 +1.820Fe+2 +1.340Al+3 -8.680H+ +1.330H4(SiO4) +3.680H2O - log_k 25.97 # - delta_h -302.108 kJ/mol # - # Enthalpy of formation: -3595.051 kJ/mol - - -Mn3(PO4)2:3H2O(s) -Mn3(PO4)2:3H2O = +3.000Mn+2 -4.000H+ +2.000H2(PO4)- +3.000H2O - log_k 2.32 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Mn3(PO4)2(s) -Mn3(PO4)2 = +3.000Mn+2 -4.000H+ +2.000H2(PO4)- - log_k 15.32 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -MnCl2:2H2O(s) -MnCl2:2H2O = +1.000Mn+2 +2.000Cl- +2.000H2O - log_k 3.98 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -MnCl2:4H2O(s) -MnCl2:4H2O = +1.000Mn+2 +2.000Cl- +4.000H2O - log_k 2.71 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -MnCl2:H2O(s) -MnCl2:H2O = +1.000Mn+2 +2.000Cl- +1.000H2O - log_k 5.53 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Mn(HPO4)(s) -Mn(HPO4) = +1.000Mn+2 -1.000H+ +1.000H2(PO4)- - log_k -5.74 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -MnO(s) -MnO = +1.000Mn+2 -2.000H+ +1.000H2O - log_k 17.9 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Mn(SO4)(s) -Mn(SO4) = +1.000Mn+2 +1.000SO4-2 - log_k -2.68 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Manganite -MnOOH = +1.000Mn+2 -3.000H+ -1.000e- +2.000H2O - log_k 25.27 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Sacchite -MnCl2 = +1.000Mn+2 +2.000Cl- - log_k 8.77 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -MnSe2(cr) -MnSe2 = +1.000Mn+2 -2.000H+ -2.000e- +2.000HSe- - log_k -8.15 # - delta_h -11.7 kJ/mol # - # Enthalpy of formation: -180.5 kJ/mol 05OLI/NOL - - -Cu(cr) -Cu = +1.000Cu+2 +2.000e- - log_k -11.39 # - delta_h 64.9 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 01LEM/FUG - - -Cu(SeO4):5H2O(s) -Cu(SeO4):5H2O = +1.000Cu+2 +1.000SeO4-2 +5.000H2O - log_k -2.44 #05OLI/NOL - delta_h 5.58 kJ/mol # - # Enthalpy of formation: -1973.33 kJ/mol 05OLI/NOL - - -CuSe(beta) -CuSe = +1.000Cu+2 -1.000H+ +1.000HSe- - log_k -25.13 # - delta_h 116 kJ/mol # - # Enthalpy of formation: -36.8 kJ/mol 05OLI/NOL - - -Ba(cr) -Ba = +1.000Ba+2 +2.000e- - log_k 97.7 # - delta_h -534.8 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 92GRE/FUG - - -BaCl2:H2O(s) -BaCl2:H2O = +1.000Ba+2 +2.000Cl- +1.000H2O - log_k 0.28 # - delta_h 5.746 kJ/mol # - # Enthalpy of formation: -1160.536 kJ/mol - - -BaCl2:2H2O(s) -BaCl2:2H2O = +1.000Ba+2 +2.000Cl- +2.000H2O - log_k -0.34 # - delta_h 19.418 kJ/mol # - # Enthalpy of formation: -1460.038 kJ/mol - - -BaHPO4(s) -BaHPO4 = +1.000Ba+2 -1.000H+ +1.000H2(PO4)- - log_k -0.19 #66SPI/MIK in 76SMI/MAR - delta_h -22.8 kJ/mol # - # Enthalpy of formation: -1814.6 kJ/mol 82WAG/EVA - - -BaS(s) -BaS = +1.000Ba+2 -1.000H+ +1.000HS- - log_k 15.66 # - delta_h -90.248 kJ/mol # - # Enthalpy of formation: -460.852 kJ/mol - - -U2O7Ba(cr) -U2O7Ba = +1.000Ba+2 +2.000UO2+2 -6.000H+ +3.000H2O - log_k 21.39 # - delta_h -193.09 kJ/mol # - # Enthalpy of formation: -3237.2 kJ/mol 92GRE/FUG - - -U2O7Ba2(cr) -U2O7Ba2 = +2.000Ba+2 +2.000UO2+ -6.000H+ +3.000H2O - log_k 35.35 # - delta_h -237.344 kJ/mol # - # Enthalpy of formation: -3740 kJ/mol 92GRE/FUG - - -UO6Ba3(cr) -UO6Ba3 = +3.000Ba+2 +1.000UO2+2 -8.000H+ +4.000H2O - log_k 92.7 # - delta_h -556.32 kJ/mol # - # Enthalpy of formation: -3210.4 kJ/mol 92GRE/FUG - - -Ca3B2O6(s) -Ca3B2O6 = +3.000Ca+2 -4.000H+ +2.000B(OH)4- -2.000H2O - log_k 40.58 # - delta_h -318.306 kJ/mol # - # Enthalpy of formation: -3429.266 kJ/mol - - -Dolomite -CaMg(CO3)2 = +1.000Ca+2 +1.000Mg+2 +2.000CO3-2 - log_k -17.12 # - delta_h -35.96 kJ/mol # - # Enthalpy of formation: -2324.5 kJ/mol 95ROB/HEM - - -Cd(cr) -Cd = +1.000Cd+2 +2.000e- - log_k 13.62 # - delta_h -75.92 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 89COX/WAG - - -Cd(SeCn)2(cr) -Cd(SeCn)2 = +1.000Cd+2 -2.000H+ -4.000e- +2.000Cn- +2.000HSe- - log_k -31.75 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -CaO(cr) -CaO = +1.000Ca+2 -2.000H+ +1.000H2O - log_k 32.7 # - delta_h -193.91 kJ/mol # - # Enthalpy of formation: -634.92 kJ/mol 89COX/WAG - - -Cd5(PO4)3Cl(cr) -Cd5(PO4)3Cl = +5.000Cd+2 -6.000H+ +1.000Cl- +3.000H2(PO4)- - log_k 12.67 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Cd5(PO4)3OH(cr) -Cd5(PO4)3OH = +5.000Cd+2 -7.000H+ +3.000H2(PO4)- +1.000H2O - log_k 19.84 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Cadmoselite -CdSe = +1.000Cd+2 -1.000H+ +1.000HSe- - log_k -18.68 # - delta_h 81.48 kJ/mol # - # Enthalpy of formation: -143.1 kJ/mol 05OLI/NOL - - -CdCl2:2.5H2O(s) -CdCl2:2.5H2O = +1.000Cd+2 +2.000Cl- +2.500H2O - log_k -1.9 # - delta_h 7.285 kJ/mol # - # Enthalpy of formation: -1131.94 kJ/mol 82WAG/EVA - - -CdCl2:H2O(cr) -CdCl2:H2O = +1.000Cd+2 +2.000Cl- +1.000H2O - log_k -1.69 # - delta_h -7.47 kJ/mol # - # Enthalpy of formation: -688.44 kJ/mol 82WAG/EVA - - -CdSiO3(cr) -CdSiO3 = +1.000Cd+2 -2.000H+ +1.000H4(SiO4) -1.000H2O - log_k 7.79 # - delta_h -62.194 kJ/mol # - # Enthalpy of formation: -1189.09 kJ/mol 77BAR/KNA - - -CdCl2(s) -CdCl2 = +1.000Cd+2 +2.000Cl- - log_k -0.66 # - delta_h -18.58 kJ/mol # - # Enthalpy of formation: -391.5 kJ/mol 74NAU/RYZ - - -Stilleite -ZnSe = +1.000Zn+2 -1.000H+ +1.000HSe- - log_k -12.05 # - delta_h 36.91 kJ/mol # - # Enthalpy of formation: -176 kJ/mol 05OLI/NOL - - -NiCl2:2H2O(s) -NiCl2:2H2O = +1.000Ni+2 +2.000Cl- +2.000H2O - log_k 4.92 # - delta_h -47.461 kJ/mol # - # Enthalpy of formation: -913.371 kJ/mol - - -Bunsenite -NiO = +1.000Ni+2 -2.000H+ +1.000H2O - log_k 12.48 # - delta_h -101.142 kJ/mol # - # Enthalpy of formation: -239.7 kJ/mol 05GAM/BUG - - -Ni2(Pyrophos)(cr) -Ni2(Pyrophos) = +2.000Ni+2 +1.000Pyrophos-4 - log_k -9.82 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Millerite -NiS = +1.000Ni+2 -1.000H+ +1.000HS- - log_k -10.13 # - delta_h 22.688 kJ/mol # - # Enthalpy of formation: -94 kJ/mol 05GAM/BUG - - -Ni(CO3):5.5H2O(cr) -Ni(CO3):5.5H2O = +1.000Ni+2 +1.000CO3-2 +5.500H2O - log_k -7.52 # - delta_h 10.685 kJ/mol # - # Enthalpy of formation: -2312.992 kJ/mol 05GAM/BUG - - -Ni3(AsO3)2(s) -Ni3(AsO3)2 = +3.000Ni+2 +4.000H+ +4.000e- +2.000AsO4-3 -2.000H2O - log_k -51.48 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Ni3(AsO4)2:8H2O(s) -Ni3(AsO4)2:8H2O = +3.000Ni+2 +2.000AsO4-3 +8.000H2O - log_k -28.1 #05GAM/BUG - delta_h -48.956 kJ/mol # - # Enthalpy of formation: -4179 kJ/mol 05GAM/BUG - - -Ni(IO3)2(beta) -Ni(IO3)2 = +1.000Ni+2 +2.000IO3- - log_k -4.43 # - delta_h -7.3 kJ/mol #05GAM/BUG - # Enthalpy of formation: -487.112 kJ/mol - - -Ni(IO3)2:2H2O(cr) -Ni(IO3)2:2H2O = +1.000Ni+2 +2.000IO3- +2.000H2O - log_k -5.14 # - delta_h 21.6 kJ/mol #05GAM/BUG - # Enthalpy of formation: -1087.672 kJ/mol - - -NiSe2(cr) -NiSe2 = +1.000Ni+2 -2.000H+ -2.000e- +2.000HSe- - log_k -26.9 # - delta_h 89.088 kJ/mol # - # Enthalpy of formation: -115.5 kJ/mol 05OLI/NOL - - -Ni0.88Se(cr) -Ni0.88Se = +0.880Ni+2 -1.000H+ -0.240e- +1.000HSe- - log_k -12.76 # - delta_h 35.689 kJ/mol # - # Enthalpy of formation: -69.8 kJ/mol 05OLI/NOL - - -Minium -Pb3O4 = +3.000Pb+2 -8.000H+ -2.000e- +4.000H2O - log_k 73.53 # - delta_h -421.874 kJ/mol # - # Enthalpy of formation: -718.686 kJ/mol - - -Litharge -PbO = +1.000Pb+2 -2.000H+ +1.000H2O - log_k 12.63 # - delta_h -65.501 kJ/mol # - # Enthalpy of formation: -219.409 kJ/mol 98CHA - - -Clausthalite -PbSe = +1.000Pb+2 -1.000H+ +1.000HSe- - log_k -20.53 # - delta_h 113.72 kJ/mol # - # Enthalpy of formation: -98.5 kJ/mol 05OLI/NOL - - -Massicot -PbO = +1.000Pb+2 -2.000H+ +1.000H2O - log_k 12.74 # - delta_h -66.848 kJ/mol # - # Enthalpy of formation: -218.062 kJ/mol 98CHA - - -Laurionite -PbClOH = +1.000Pb+2 -1.000H+ +1.000Cl- +1.000H2O - log_k 0.62 #99LOT/OCH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Plumbonacrite -Pb10(CO3)6O(OH)6 = +10.000Pb+2 -8.000H+ +6.000CO3-2 +7.000H2O - log_k -42.09 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Phosgenite -Pb2(CO3)Cl2 = +2.000Pb+2 +1.000CO3-2 +2.000Cl- - log_k 19.9 #74NAU/RYZ - delta_h -163.291 kJ/mol # - # Enthalpy of formation: -844.259 kJ/mol - - -Lanarkite -PbSO4:PbO = +2.000Pb+2 -2.000H+ +1.000SO4-2 +1.000H2O - log_k 2.63 #82ABD/THO - delta_h -39.234 kJ/mol # - # Enthalpy of formation: -1154.096 kJ/mol - - -Alamosite -PbSiO3 = +1.000Pb+2 -2.000H+ +1.000H4(SiO4) -1.000H2O - log_k 6.17 # - delta_h -29.451 kJ/mol # - # Enthalpy of formation: -1144.993 kJ/mol 98CHA - - -PbSiO3(Glass) -PbSiO3 = +1.000Pb+2 -2.000H+ +1.000H4(SiO4) -1.000H2O - log_k 6.6 # - delta_h -36.814 kJ/mol # - # Enthalpy of formation: -1137.63 kJ/mol 74NAU/RYZ - - -Pb4O(PO4)2(cr) -Pb4O(PO4)2 = +4.000Pb+2 -6.000H+ +2.000H2(PO4)- +1.000H2O - log_k 2.24 #74NRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Pyromorphite -Pb5Cl(PO4)3 = +5.000Pb+2 -6.000H+ +1.000Cl- +3.000H2(PO4)- - log_k -25.75 #74NRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Pyromorphite-F -Pb5F(PO4)3 = +5.000Pb+2 -6.000H+ +1.000F- +3.000H2(PO4)- - log_k -13.1 #74NRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Pyromorphite-Br -Pb5Br(PO4)3 = +5.000Pb+2 -6.000H+ +1.000Br- +3.000H2(PO4)- - log_k -19.45 #74NRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Plumbogummite -PbAl3(PO4)2(OH)5:H2O = +1.000Pb+2 +3.000Al+3 -9.000H+ +2.000H2(PO4)- +6.000H2O - log_k 13.24 #74NRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Pb(H2PO4)2(cr) -Pb(H2PO4)2 = +1.000Pb+2 +2.000H2(PO4)- - log_k -9.84 #74NRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Pb(OH)2(s) -Pb(OH)2 = +1.000Pb+2 -2.000H+ +2.000H2O - log_k 13.51 # - delta_h -56.14 kJ/mol # - # Enthalpy of formation: -514.6 kJ/mol 52LAT - - -Crocoite -PbCrO4 = +1.000Pb+2 +1.000CrO4-2 - log_k -12.55 #42KOL/PER - delta_h 48.94 kJ/mol # - # Enthalpy of formation: -927.02 kJ/mol 75DEL/MCC - - -Cotunnite -PbCl2 = +1.000Pb+2 +2.000Cl- - log_k -4.81 # - delta_h 26.16 kJ/mol # - # Enthalpy of formation: -359.4 kJ/mol 98CHA - - -Paralaurionite -PbCl(OH) = +1.000Pb+2 -1.000H+ +1.000Cl- +1.000H2O - log_k 0.62 #99LOT/OCH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Co(SeO3):2H2O(s) -Co(SeO3):2H2O = +1.000Co+2 +1.000SeO3-2 +2.000H2O - log_k -7.9 #05OLI/NOL - delta_h -20.86 kJ/mol # - # Enthalpy of formation: -1115.56 kJ/mol 05OLI/NOL - - -Co(SeO4):6H2O(s) -Co(SeO4):6H2O = +1.000Co+2 +1.000SeO4-2 +6.000H2O - log_k -1.76 #05OLI/NOL - delta_h -3.299 kJ/mol # - # Enthalpy of formation: -2372.781 kJ/mol - - -CoSe2(cr) -CoSe2 = +1.000Co+2 -2.000H+ -2.000e- +2.000HSe- - log_k -23.09 # - delta_h 76.5 kJ/mol # - # Enthalpy of formation: -105.5 kJ/mol 05OLI/NOL - - -Co0.84Se(cr) -Co0.84Se = +0.840Co+2 -1.000H+ -0.320e- +1.000HSe- - log_k -9.3 # - delta_h 21.316 kJ/mol # - # Enthalpy of formation: -55.4 kJ/mol 05OLI/NOL - - -Co(cr) -Co = +1.000Co+2 +2.000e- - log_k 9.74 # - delta_h -57.6 kJ/mol # - # Enthalpy of formation: 0 kJ/mol - - -Co(OH)2(s,rose1) -Co(OH)2 = +1.000Co+2 -2.000H+ +2.000H2O - log_k 12.2 #98PLY/ZHA - delta_h -88.46 kJ/mol # - # Enthalpy of formation: -540.8 kJ/mol 98PLY/ZHA - - -Co(OH)2(s,rose2) -Co(OH)2 = +1.000Co+2 -2.000H+ +2.000H2O - log_k 13.2 #98PLY/ZHA - delta_h -93.56 kJ/mol # - # Enthalpy of formation: -535.7 kJ/mol 98PLY/ZHA - - -Co(OH)2(s,blue) -Co(OH)2 = +1.000Co+2 -2.000H+ +2.000H2O - log_k 13.8 #98PLY/ZHA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -CoO(s) -CoO = +1.000Co+2 -2.000H+ +1.000H2O - log_k 13.77 # - delta_h -105.53 kJ/mol # - # Enthalpy of formation: -237.9 kJ/mol 95ROB/HEM - - -Co3O4(s) -Co3O4 = +3.000Co+2 -8.000H+ -2.000e- +4.000H2O - log_k 54.86 # - delta_h -397.3 kJ/mol # - # Enthalpy of formation: -918.8 kJ/mol 95ROB/HEM - - -Sphaerocobaltite -CoCO3 = +1.000Co+2 +1.000CO3-2 - log_k -11.2 #99GRA - delta_h -9.421 kJ/mol # - # Enthalpy of formation: -723.409 kJ/mol - - -Co2SiO4(s) -Co2SiO4 = +2.000Co+2 -4.000H+ +1.000H4(SiO4) - log_k 7.35 # - delta_h -99.394 kJ/mol # - # Enthalpy of formation: -1477 kJ/mol 82WAG/EVA - - -CoHPO4(s) -CoHPO4 = +1.000Co+2 -1.000H+ +1.000H2(PO4)- - log_k 0.49 #84VIE/TAR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Co3(PO4)2(s) -Co3(PO4)2 = +3.000Co+2 -4.000H+ +2.000H2(PO4)- - log_k 4.36 #84VIE/TAR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -CoSO4(s) -CoSO4 = +1.000Co+2 +1.000SO4-2 - log_k 3.01 # - delta_h -78.68 kJ/mol # - # Enthalpy of formation: -888.26 kJ/mol 98CHA - - -CoSO4:H2O(s) -CoSO4:H2O = +1.000Co+2 +1.000SO4-2 +1.000H2O - log_k -1.05 # - delta_h -52.05 kJ/mol # - # Enthalpy of formation: -1200.72 kJ/mol 74NAU/RYZ - - -CoSO4:6H2O(s) -CoSO4:6H2O = +1.000Co+2 +1.000SO4-2 +6.000H2O - log_k -2.2 # - delta_h 1.57 kJ/mol # - # Enthalpy of formation: -2683.49 kJ/mol 74NAU/RYZ - - -Bieberite -CoSO4:7H2O = +1.000Co+2 +1.000SO4-2 +7.000H2O - log_k -2.35 # - delta_h 11.84 kJ/mol # - # Enthalpy of formation: -2979.59 kJ/mol 74NAU/RYZ - - -CoS(alpha) -CoS = +1.000Co+2 -1.000H+ +1.000HS- - log_k -7.44 #90DYR/KRE - delta_h 11.836 kJ/mol # - # Enthalpy of formation: -85.736 kJ/mol - - -CoS(beta) -CoS = +1.000Co+2 -1.000H+ +1.000HS- - log_k -11.07 #90DYR/KRE - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Cattierite -CoS2 = +1.000Co+2 -2.000H+ -2.000e- +2.000HS- - log_k -19.98 # - delta_h 60.7 kJ/mol # - # Enthalpy of formation: -150.9 kJ/mol 95ROB/HEM - - -Linnaeite -Co3S4 = +3.000Co+2 -4.000H+ -2.000e- +4.000HS- - log_k -42.76 # - delta_h 136.5 kJ/mol # - # Enthalpy of formation: -374.5 kJ/mol 95ROB/HEM - - -CoF2(s) -CoF2 = +1.000Co+2 +2.000F- - log_k -1.39 # - delta_h -56.77 kJ/mol # - # Enthalpy of formation: -671.53 kJ/mol 98CHA - - -CoCl2(s) -CoCl2 = +1.000Co+2 +2.000Cl- - log_k 8.47 # - delta_h -79.22 kJ/mol # - # Enthalpy of formation: -312.54 kJ/mol 98CHA - - -CoCl2:6H2O(s) -CoCl2:6H2O = +1.000Co+2 +2.000Cl- +6.000H2O - log_k 2.54 #97MAR/SMI - delta_h 8.06 kJ/mol #97MAR/SMI - # Enthalpy of formation: -2114.8 kJ/mol - - -Co(FeO2)2(alpha) -Co(FeO2)2 = +2.000Fe+3 +1.000Co+2 -8.000H+ +4.000H2O - log_k 0.77 # - delta_h -159.2 kJ/mol # - # Enthalpy of formation: -1139.72 kJ/mol 74NAU/RYZ - - -Ag3(PO4)(s) -Ag3(PO4) = +3.000Ag+ -2.000H+ +1.000H2(PO4)- - log_k 2.01 #03BÖT in 76SMI/MAR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Ag2(SO4)(s) -Ag2(SO4) = +2.000Ag+ +1.000SO4-2 - log_k -5.01 # - delta_h 18.162 kJ/mol # - # Enthalpy of formation: -715.922 kJ/mol - - -Ag(s) -Ag = +1.000Ag+ +1.000e- - log_k -13.51 # - delta_h 105.79 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 95SIL/BID - - -Ag2Se(alfa) -Ag2Se = +2.000Ag+ -1.000H+ +1.000HSe- - log_k -42.85 # - delta_h 266.009 kJ/mol # - # Enthalpy of formation: -40.129 kJ/mol - - -Corundum -Al2O3 = +2.000Al+3 -6.000H+ +3.000H2O - log_k 18.3 # - delta_h -258.59 kJ/mol # - # Enthalpy of formation: -1675.7 kJ/mol 89COX/WAG - - -Boehmite -AlO(OH) = +1.000Al+3 -3.000H+ +2.000H2O - log_k 7.62 # - delta_h -113.66 kJ/mol # - # Enthalpy of formation: -996.4 kJ/mol 95ROB/HEM - - -Diaspore -AlO(OH) = +1.000Al+3 -3.000H+ +2.000H2O - log_k 6.86 # - delta_h -108.76 kJ/mol # - # Enthalpy of formation: -1001.3 kJ/mol 95ROB/HEM - - -Dickite -Al2Si2O5(OH)4 = +2.000Al+3 -6.000H+ +2.000H4(SiO4) +1.000H2O - log_k 9.39 # - delta_h -185.218 kJ/mol # - # Enthalpy of formation: -4099.8 kJ/mol 93FIA/MAZ - - -Halloysite -Al2Si2O5(OH)4 = +2.000Al+3 -6.000H+ +2.000H4(SiO4) +1.000H2O - log_k 10.32 # - delta_h -192.418 kJ/mol # - # Enthalpy of formation: -4092.6 kJ/mol 99DEL/NAV - - -Pyrophillite -Al2Si4O10(OH)2 = +2.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k -0.42 # - delta_h -138.256 kJ/mol # - # Enthalpy of formation: -5640 kJ/mol 95ROB/HEM - - -UO2(CO3)3Mg2:18H2O(s) -UO2(CO3)3Mg2:18H2O = +2.000Mg+2 +1.000UO2+2 +3.000CO3-2 +18.000H2O - log_k -29.01 # - delta_h 40.57 kJ/mol # - # Enthalpy of formation: -9164.2 kJ/mol 99CHE/EWI - - -Phlogopite -KMg3Si3AlO10(OH)2 = +3.000Mg+2 +1.000K+ +1.000Al+3 -10.000H+ +3.000H4(SiO4) - log_k 41.1 # - delta_h -360.122 kJ/mol # - # Enthalpy of formation: -6215 kJ/mol 92CIR/NAV - - -Annite -KFe3Si3AlO10(OH)2 = +1.000K+ +3.000Fe+2 +1.000Al+3 -10.000H+ +3.000H4(SiO4) - log_k 32.77 # - delta_h -313.152 kJ/mol # - # Enthalpy of formation: -5130.97 kJ/mol 95DAC/BEN - - -Paragonite -NaAl3Si3O10(OH)2 = +1.000Na+ +3.000Al+3 -10.000H+ +3.000H4(SiO4) - log_k 16.8 # - delta_h -301.622 kJ/mol # - # Enthalpy of formation: -5937.5 kJ/mol 96ROU/HOV - - -Margarite -CaAl4Si2O10(OH)2 = +1.000Ca+2 +4.000Al+3 -14.000H+ +2.000H4(SiO4) +4.000H2O - log_k 37 # - delta_h -518.308 kJ/mol # - # Enthalpy of formation: -6244 kJ/mol 95ROB/HEM - - -Eastonite -KMg2Al3Si2O10(OH)2 = +2.000Mg+2 +1.000K+ +3.000Al+3 -14.000H+ +2.000H4(SiO4) +4.000H2O - log_k 46.32 # - delta_h -518.108 kJ/mol # - # Enthalpy of formation: -6348.94 kJ/mol 98HOL/POW - - -Microcline -KAlSi3O8 = +1.000K+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -4.000H2O - log_k 0.05 # - delta_h -56.463 kJ/mol # - # Enthalpy of formation: -3974.34 kJ/mol 99ARN/STE - - -Siderophyllite -KFe2Al3Si2O10(OH)2 = +1.000K+ +2.000Fe+2 +3.000Al+3 -14.000H+ +2.000H4(SiO4) +4.000H2O - log_k 40.57 # - delta_h -484.778 kJ/mol # - # Enthalpy of formation: -5628.27 kJ/mol 90HOL/POW - - -Al(s) -Al = +1.000Al+3 +3.000e- - log_k 85.43 # - delta_h -538.4 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 95POK/HEL - - -Fe-Amesite -Fe4Al4Si2O10(OH)8 = +4.000Fe+2 +4.000Al+3 -20.000H+ +2.000H4(SiO4) +10.000H2O - log_k 57.04 # - delta_h -686.828 kJ/mol # - # Enthalpy of formation: -7607.46 kJ/mol 05VID/PAR - - -Saponite-SapCa -(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 = +0.038Ca+2 +2.949Mg+2 +0.021K+ +0.394Na+ +0.034Fe+3 +0.021Fe+2 +0.397Al+3 -7.724H+ +3.569H4(SiO4) -2.276H2O - log_k 32.43 # - delta_h -285.159 kJ/mol # - # Enthalpy of formation: -5994.4 kJ/mol 09GAI - - -PhlogopiteNa -NaMg3AlSi3O10(OH)2 = +3.000Mg+2 +1.000Na+ +1.000Al+3 -10.000H+ +3.000H4(SiO4) - log_k 44.2 # - delta_h -391.182 kJ/mol # - # Enthalpy of formation: -6172.14 kJ/mol 98HOL/POW - - -Beidellite -Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 = +0.185Ca+2 +0.090Mg+2 +0.104K+ +0.112Fe+3 +2.238Al+3 -7.704H+ +3.574H4(SiO4) -2.296H2O - log_k 6.98 # - delta_h -222.096 kJ/mol # - # Enthalpy of formation: -5723.08 kJ/mol 10GAI - - -Montmorillonite-HCK -K0.6Mg0.6Al1.4Si4O10(OH)2 = +0.600Mg+2 +0.600K+ +1.400Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k 4.19 # - delta_h -127.2 kJ/mol # - # Enthalpy of formation: -5759.5 kJ/mol 10BLA/VIE - - -Montmorillonite-HCNa -Na0.6Mg0.6Al1.4Si4O10(OH)2 = +0.600Mg+2 +0.600Na+ +1.400Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k 6.35 # - delta_h -146.04 kJ/mol # - # Enthalpy of formation: -5733.58 kJ/mol 10BLA/VIE - - -Montmorillonite-HCCa -Ca0.3Mg0.6Al1.4Si4O10(OH)2 = +0.300Ca+2 +0.600Mg+2 +1.400Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k 7.3 # - delta_h -162.046 kJ/mol # - # Enthalpy of formation: -5736.27 kJ/mol 10BLA/VIE - - -Montmorillonite-HCMg -Mg0.3Mg0.6Al1.4Si4O10(OH)2 = +0.900Mg+2 +1.400Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k 7.74 # - delta_h -169.646 kJ/mol # - # Enthalpy of formation: -5705.87 kJ/mol 10BLA/VIE - - -Nontronite-K -K0.34Fe1.67Al0.67Si3.66O10(OH)2 = +0.340K+ +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k -6.31 # - delta_h -117.884 kJ/mol # - # Enthalpy of formation: -5003.78 kJ/mol 10BLA/VIE - - -Nontronite-Na -Na0.34Fe1.67Al0.67Si3.66O10(OH)2 = +0.340Na+ +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k -5.17 # - delta_h -128.062 kJ/mol # - # Enthalpy of formation: -4989.59 kJ/mol 10BLA/VIE - - -Nontronite-Ca -Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 = +0.170Ca+2 +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k -4.7 # - delta_h -136.367 kJ/mol # - # Enthalpy of formation: -4991.88 kJ/mol 10BLA/VIE - - -Nontronite-Mg -Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 = +0.170Mg+2 +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k -4.4 # - delta_h -140.437 kJ/mol # - # Enthalpy of formation: -4974.89 kJ/mol 10BLA/VIE - - -Berthierine-Th -(Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 = +0.330Fe+3 +2.340Fe+2 +0.990Al+3 -8.640H+ +1.340H4(SiO4) +3.640H2O - log_k 28.43 # - delta_h -297.827 kJ/mol # - # Enthalpy of formation: -3460.38 kJ/mol - - -Cronstedtite-Th -Fe2Fe(SiAl)O5(OH)4 = +1.000Fe+3 +2.000Fe+2 +1.000Al+3 -10.000H+ +1.000H4(SiO4) +5.000H2O - log_k 27.37 # - delta_h -333.554 kJ/mol # - # Enthalpy of formation: -3324.19 kJ/mol 10BLA/VIE - - -Glauconite -(K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 = +0.250Mg+2 +0.750K+ +1.250Fe+3 +0.250Fe+2 +0.500Al+3 -7.000H+ +3.750H4(SiO4) -3.000H2O - log_k -1.48 # - delta_h -110.372 kJ/mol # - # Enthalpy of formation: -5170.42 kJ/mol - - -HMontmorillonite-HCK -K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O = +0.600Mg+2 +0.600K+ +1.400Al+3 -6.000H+ +4.000H4(SiO4) -2.040H2O - log_k 3.77 # - delta_h -116.69 kJ/mol # - # Enthalpy of formation: -6330.237 kJ/mol 10BLA/VIE - - -HMontmorillonite-HCNa -Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O = +0.600Mg+2 +0.600Na+ +1.400Al+3 -6.000H+ +4.000H4(SiO4) -0.160H2O - log_k 4.84 # - delta_h -130.073 kJ/mol # - # Enthalpy of formation: -6847.135 kJ/mol 10BLA/VIE - - -HMontmorillonite-HCCa -Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O = +0.300Ca+2 +0.600Mg+2 +1.400Al+3 -6.000H+ +4.000H4(SiO4) +0.450H2O - log_k 4.48 # - delta_h -120.543 kJ/mol # - # Enthalpy of formation: -7049.716 kJ/mol 10BLA/VIE - - -HMontmorillonite-HCMg -Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O = +0.900Mg+2 +1.400Al+3 -6.000H+ +4.000H4(SiO4) +0.610H2O - log_k 4.85 # - delta_h -127.673 kJ/mol # - # Enthalpy of formation: -7065.519 kJ/mol 10BLA/VIE - - -HNontronite-K -K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O = +0.340K+ +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) -0.680H2O - log_k -6.73 # - delta_h -107.374 kJ/mol # - # Enthalpy of formation: -5574.517 kJ/mol 10BLA/VIE - - -HNontronite-Na -Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O = +0.340Na+ +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) +1.200H2O - log_k -6.68 # - delta_h -112.095 kJ/mol # - # Enthalpy of formation: -6103.145 kJ/mol 10BLA/VIE - - -HNontronite-Ca -Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O = +0.170Ca+2 +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) +1.810H2O - log_k -7.52 # - delta_h -94.864 kJ/mol # - # Enthalpy of formation: -6305.326 kJ/mol 10BLA/VIE - - -HNontronite-Mg -Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O = +0.170Mg+2 +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) +1.970H2O - log_k -7.29 # - delta_h -98.464 kJ/mol # - # Enthalpy of formation: -6334.539 kJ/mol 10BLA/VIE - - -Saponite-SapCa(4.151 H2O) -(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O = +0.038Ca+2 +2.949Mg+2 +0.021K+ +0.394Na+ +0.034Fe+3 +0.021Fe+2 +0.397Al+3 -7.724H+ +3.569H4(SiO4) +1.875H2O - log_k 27.8 # - delta_h -252.729 kJ/mol # - # Enthalpy of formation: -7213.31 kJ/mol 09GAI - - -Analcime -Na0.99Al0.99Si2.01O6:H2O = +0.990Na+ +0.990Al+3 -3.960H+ +2.010H4(SiO4) -1.040H2O - log_k 6.65 # - delta_h -102.689 kJ/mol # - # Enthalpy of formation: -3308 kJ/mol 04NEU/HOV - - -Phillipsite-K -KAlSi3O8:3H2O = +1.000K+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -1.000H2O - log_k 0.04 #09BLA - delta_h -46.433 kJ/mol # - # Enthalpy of formation: -4841.859 kJ/mol - - -Phillipsite-Na -NaAlSi3O8:3H2O = +1.000Na+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -1.000H2O - log_k 1.45 #09BLA - delta_h -64.815 kJ/mol # - # Enthalpy of formation: -4811.677 kJ/mol - - -Phillipsite-Ca -Ca0.5AlSi3O8:3H2O = +0.500Ca+2 +1.000Al+3 -4.000H+ +3.000H4(SiO4) -1.000H2O - log_k 2.32 #09BLA - delta_h -83.63 kJ/mol # - # Enthalpy of formation: -4824.022 kJ/mol - - -Natrolite -Na2(Al2Si3)O10:2H2O = +2.000Na+ +2.000Al+3 -8.000H+ +3.000H4(SiO4) - log_k 19.33 # - delta_h -222.462 kJ/mol # - # Enthalpy of formation: -5718.6 kJ/mol 83JOH/FLO - - -Scolecite -CaAl2Si3O10:3H2O = +1.000Ca+2 +2.000Al+3 -8.000H+ +3.000H4(SiO4) +1.000H2O - log_k 16.65 # - delta_h -240.212 kJ/mol # - # Enthalpy of formation: -6049 kJ/mol 83JOH/FLO - - -Stilbite -NaCa2(Al5Si13)O36:16H2O = +2.000Ca+2 +1.000Na+ +5.000Al+3 -20.000H+ +13.000H4(SiO4) - log_k 23.05 # - delta_h -434.152 kJ/mol # - # Enthalpy of formation: -22579.71 kJ/mol 04FRI/NEU - - -Stellerite -Ca2Al4Si14O36:14H2O = +2.000Ca+2 +4.000Al+3 -16.000H+ +14.000H4(SiO4) -6.000H2O - log_k 6.99 # - delta_h -325.096 kJ/mol # - # Enthalpy of formation: -21656.24 kJ/mol 04FRI/NEU - - -MordeniteJ -Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O = +0.289Ca+2 +0.362Na+ +0.940Al+3 -3.760H+ +5.060H4(SiO4) -4.772H2O - log_k -4.16 # - delta_h -41.247 kJ/mol # - # Enthalpy of formation: -6738.44 kJ/mol 92JOH/TAS - - -ClinoptiloliteCa -Ca0.55(Si4.9Al1.1)O12:3.9H2O = +0.550Ca+2 +1.100Al+3 -4.400H+ +4.900H4(SiO4) -3.700H2O - log_k -2.35 #09BLA - delta_h -68.512 kJ/mol # - # Enthalpy of formation: -6924.658 kJ/mol - - -ClinoptiloliteNa -Na1.1(Si4.9Al1.1)O12:3.5H2O = +1.100Na+ +1.100Al+3 -4.400H+ +4.900H4(SiO4) -4.100H2O - log_k -0.09 #09BLA - delta_h -62.47 kJ/mol # - # Enthalpy of formation: -6782.091 kJ/mol - - -ClinoptiloliteK -K1.1(Si4.9Al1.1)O12:2.7H2O = +1.100K+ +1.100Al+3 -4.400H+ +4.900H4(SiO4) -4.900H2O - log_k -1.23 #09BLA - delta_h -60.128 kJ/mol # - # Enthalpy of formation: -6568.749 kJ/mol - - -MerlinoiteNa -Na1.04Al1.04Si1.96O6:2.27H2O = +1.040Na+ +1.040Al+3 -4.160H+ +1.960H4(SiO4) +0.430H2O - log_k 10.3 # - delta_h -115.307 kJ/mol # - # Enthalpy of formation: -3681.43 kJ/mol 09BLA - - -MerlinoiteK -K1.04Al1.04Si1.96O6:1.69H2O = +1.040K+ +1.040Al+3 -4.160H+ +1.960H4(SiO4) -0.150H2O - log_k 9.49 # - delta_h -105.627 kJ/mol # - # Enthalpy of formation: -3537.6 kJ/mol 09BLA - - -Zeolite-CaP -Ca2Al4Si4O16:9H2O = +2.000Ca+2 +4.000Al+3 -16.000H+ +4.000H4(SiO4) +9.000H2O - log_k 45.15 #09BLA - delta_h -527.736 kJ/mol # - # Enthalpy of formation: -11129.11 kJ/mol 09BLA - - -Wairakite -CaAl2Si4O12:2H2O = +1.000Ca+2 +2.000Al+3 -8.000H+ +4.000H4(SiO4) -2.000H2O - log_k 14.44 # - delta_h -246.216 kJ/mol # - # Enthalpy of formation: -6646.7 kJ/mol 96KIS/NAV - - -Laumontite -CaAl2Si4O12:4H2O = +1.000Ca+2 +2.000Al+3 -8.000H+ +4.000H4(SiO4) - log_k 11.7 # - delta_h -213.576 kJ/mol # - # Enthalpy of formation: -7251 kJ/mol 96KIS/NAV - - -HeulanditeCa -Ca1.07Al2.14Si6.86O18:6.17H2O = +1.070Ca+2 +2.140Al+3 -8.560H+ +6.860H4(SiO4) -3.270H2O - log_k 2.46 #09BLA - delta_h -155.113 kJ/mol # - # Enthalpy of formation: -10667.2 kJ/mol 09BLA - - -HeulanditeNa -Na2.14Al2.14Si6.86O18:6.17H2O = +2.140Na+ +2.140Al+3 -8.560H+ +6.860H4(SiO4) -3.270H2O - log_k 2.8 #09BLA - delta_h -142.78 kJ/mol # - # Enthalpy of formation: -10612.85 kJ/mol 09BLA - - -Cs2O(s) -Cs2O = +2.000Cs+ -2.000H+ +1.000H2O - log_k 89.68 # - delta_h -456.1 kJ/mol # - # Enthalpy of formation: -345.73 kJ/mol - - -Cs(s) -Cs = +1.000Cs+ +1.000e- - log_k 51.06 # - delta_h -258 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 92GRE/FUG - - -Periclase -MgO = +1.000Mg+2 -2.000H+ +1.000H2O - log_k 21.58 # - delta_h -151.23 kJ/mol # - # Enthalpy of formation: -601.6 kJ/mol 89COX/WAG - - -CsBr(cr) -CsBr = +1.000Cs+ +1.000Br- - log_k 0.72 # - delta_h 26.19 kJ/mol # - # Enthalpy of formation: -405.6 kJ/mol 01LEM/FUG - - -Mg(SeO3):6H2O(s) -Mg(SeO3):6H2O = +1.000Mg+2 +1.000SeO3-2 +6.000H2O - log_k -5.82 #05OLI/NOL - delta_h 18.07 kJ/mol # - # Enthalpy of formation: -2707.21 kJ/mol 05OLI/NOL - - -Magnesite(syn) -Mg(CO3) = +1.000Mg+2 +1.000CO3-2 - log_k -8.1 # - delta_h -28.93 kJ/mol # - # Enthalpy of formation: -1113.3 kJ/mol 95ROB/HEM - - -Nesquehonite -Mg(CO3):3H2O = +1.000Mg+2 +1.000CO3-2 +3.000H2O - log_k -5.1 # - delta_h -22.42 kJ/mol # - # Enthalpy of formation: -1977.3 kJ/mol 73ROB/HEM - - -Lansfordite -Mg(CO3):5H2O = +1.000Mg+2 +1.000CO3-2 +5.000H2O - log_k -5.04 # - delta_h 2.89 kJ/mol # - # Enthalpy of formation: -2574.27 kJ/mol 99KON/KON - - -Mg5(CO3)4(OH)2:4H2O(s) -Mg5(CO3)4(OH)2:4H2O = +5.000Mg+2 -2.000H+ +4.000CO3-2 +6.000H2O - log_k -10.31 # - delta_h -234.9 kJ/mol # - # Enthalpy of formation: -6516 kJ/mol 73ROB/HEM - - -Artinite -Mg2(CO3)(OH)2:3H2O = +2.000Mg+2 -2.000H+ +1.000CO3-2 +5.000H2O - log_k 9.81 # - delta_h -117.78 kJ/mol # - # Enthalpy of formation: -2920.6 kJ/mol 73HEM/ROB - - -CsCl(cr) -CsCl = +1.000Cs+ +1.000Cl- - log_k 1.55 # - delta_h 17.23 kJ/mol # - # Enthalpy of formation: -442.31 kJ/mol 01LEM/FUG - - -Sn(cr) -Sn = +1.000Sn+2 +2.000e- - log_k 4.84 # - delta_h -8.9 kJ/mol # - # Enthalpy of formation: 0 kJ/mol - - -Sn(OH)Cl(s) -Sn(OH)Cl = +1.000Sn+2 -1.000H+ +1.000Cl- +1.000H2O - log_k -2.42 #30RAN/MUR recalculated in 99LOT/OCH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -SnSe2(s) -SnSe2 = +1.000Sn+2 -2.000H+ -2.000e- +2.000HSe- - log_k -30.75 # - delta_h 134.6 kJ/mol # - # Enthalpy of formation: -114.9 kJ/mol 05OLI/NOL - - -Cassiterite -SnO2 = +1.000Sn+4 -4.000H+ +2.000H2O - log_k -7.51 # - delta_h 36.47 kJ/mol # - # Enthalpy of formation: -577.63 kJ/mol 89COX/WAG - - -CaSn(OH)6(s) -CaSn(OH)6 = +1.000Ca+2 +1.000Sn+4 -6.000H+ +6.000H2O - log_k 8.49 #99LOT/OCH - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Sr(SeO4)(s) -Sr(SeO4) = +1.000Sr+2 +1.000SeO4-2 - log_k -4.35 #Original source 59SEL/ZUB recalculated in 05OLI/NOL - delta_h -21.841 kJ/mol # - # Enthalpy of formation: -1132.559 kJ/mol - - -Th(cr) -Th = +1.000Th+4 +4.000e- - log_k 123.47 # - delta_h -768.7 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 09RAN/FUG - - -SrO(cr) -SrO = +1.000Sr+2 -2.000H+ +1.000H2O - log_k 41.98 # - delta_h -244.69 kJ/mol # - # Enthalpy of formation: -592.04 kJ/mol 98CHA - - -Sr(NO3)2:4H2O(s) -Sr(NO3)2:4H2O = +1.000Sr+2 +2.000NO3- +4.000H2O - log_k -0.87 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -SrS(s) -SrS = +1.000Sr+2 -1.000H+ +1.000HS- - log_k 14.68 # - delta_h -93.57 kJ/mol # - # Enthalpy of formation: -473.63 kJ/mol 82WAG/EVA - - -SrBr2:6H2O(s) -SrBr2:6H2O = +1.000Sr+2 +2.000Br- +6.000H2O - log_k 2.82 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -SrBr2:H2O(s) -SrBr2:H2O = +1.000Sr+2 +2.000Br- +1.000H2O - log_k 8.8 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -SrBr2(s) -SrBr2 = +1.000Sr+2 +2.000Br- - log_k 12.5 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -SrCl2:2H2O(s) -SrCl2:2H2O = +1.000Sr+2 +2.000Cl- +2.000H2O - log_k 3.47 # - delta_h -18.72 kJ/mol # - # Enthalpy of formation: -1438 kJ/mol 82WAG/EVA - - -ThO2(mcr) -ThO2 = +1.000Th+4 -4.000H+ +2.000H2O - log_k 3 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -ThO2(cr) -ThO2 = +1.000Th+4 -4.000H+ +2.000H2O - log_k 1.77 # - delta_h -113.96 kJ/mol # - # Enthalpy of formation: -1226.4 kJ/mol 09RAN/FUG - - -ThO2(fresh) -ThO2 = +1.000Th+4 -4.000H+ +2.000H2O - log_k 9.3 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -ThO2(coll) -ThO2 = +1.000Th+4 -4.000H+ +2.000H2O - log_k 11.1 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Na6Th(CO3)5:12H2O(cr) -Na6Th(CO3)5:12H2O = +6.000Na+ +1.000Th+4 +5.000CO3-2 +12.000H2O - log_k -42.2 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Th(SO4)2:9H2O(cr) -Th(SO4)2:9H2O = +1.000Th+4 +2.000SO4-2 +9.000H2O - log_k -11.25 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -ThF4(cr) -ThF4 = +1.000Th+4 +4.000F- - log_k -19.11 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -UO2(Ox):3H2O(s) -UO2(Ox):3H2O = +1.000UO2+2 +1.000Ox-2 +3.000H2O - log_k -8.93 #05HUM/AND - delta_h -5.15 kJ/mol # - # Enthalpy of formation: -2702 kJ/mol 05HUM/AND - - -Uranophane -Ca(UO2)2(SiO3OH)2:5H2O = +1.000Ca+2 +2.000UO2+2 -6.000H+ +2.000H4(SiO4) +5.000H2O - log_k 9.42 #92NGU/SIL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Soddyite(synt1) -(UO2)2SiO4:2H2O = +2.000UO2+2 -4.000H+ +1.000H4(SiO4) +2.000H2O - log_k 3.9 #97PER/CAS - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Soddyite(synt2) -(UO2)2SiO4:2H2O = +2.000UO2+2 -4.000H+ +1.000H4(SiO4) +2.000H2O - log_k 6.43 #07GOR/MAZ - delta_h -25.454 kJ/mol # - # Enthalpy of formation: -4045.4 kJ/mol 07GOR/MAZ - - -(UO2)3(PO4)2(cr) -(UO2)3(PO4)2 = +3.000UO2+2 -4.000H+ +2.000H2(PO4)- - log_k 2.8 # - delta_h -170.9 kJ/mol # - # Enthalpy of formation: -5491.3 kJ/mol 92GRE/FUG - - -Bassetite -Fe(UO2)2(PO4)2 = +1.000Fe+2 +2.000UO2+2 -4.000H+ +2.000H2(PO4)- - log_k -1.07 #65MUT/HIR - delta_h -36.464 kJ/mol # - # Enthalpy of formation: -8996.928 kJ/mol - - -Becquerelite(syn) -Ca(UO2)6O4(OH)6:8H2O = +1.000Ca+2 +6.000UO2+2 -14.000H+ +18.000H2O - log_k 40.5 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Becquerelite(nat) -Ca(UO2)6O4(OH)6:8H2O = +1.000Ca+2 +6.000UO2+2 -14.000H+ +18.000H2O - log_k 29 #97CAS/BRU - delta_h -378.31 kJ/mol # - # Enthalpy of formation: -11423.63 kJ/mol 99CHE/EWI - - -UO4Ba(s) -UO4Ba = +1.000Ba+2 +1.000UO2+2 -4.000H+ +2.000H2O - log_k 17.64 # - delta_h -131.66 kJ/mol # - # Enthalpy of formation: -1993.8 kJ/mol 92GRE/FUG - - -CaU2O7:3H2O(cr) -CaU2O7:3H2O = +1.000Ca+2 +2.000UO2+2 -6.000H+ +6.000H2O - log_k 23.4 #05ALT/NEC - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Clarkeite -Na(UO2)O(OH) = +1.000Na+ +1.000UO2+2 -3.000H+ +2.000H2O - log_k 9.4 #08GOR/FEI - delta_h -106.3 kJ/mol # - # Enthalpy of formation: -1724.7 kJ/mol 06KUB/HEL - - -PuO2:2H2O(am) -PuO2:2H2O = +1.000Pu+4 -4.000H+ +4.000H2O - log_k -2.37 #03GUI/FAN - delta_h -58.548 kJ/mol # - # Enthalpy of formation: -1624.667 kJ/mol - - -Pu(OH)4(am) -Pu(OH)4 = +1.000Pu+4 -4.000H+ +4.000H2O - log_k -0.8 #89LEM/GAR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -PuO2(coll,hyd) -PuO2 = +1.000Pu+4 -4.000H+ +2.000H2O - log_k 0.2 #07NEC/ALT - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Pu(cr) -Pu = +1.000Pu+3 +3.000e- - log_k 101.43 # - delta_h -591.79 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 01LEM/FUG - - -U(cr) -U = +1.000U+4 +4.000e- - log_k 92.83 # - delta_h -591.2 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 92GRE/FUG - - -UO2:2H2O(am) -UO2:2H2O = +1.000U+4 -4.000H+ +4.000H2O - log_k 1.5 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -UO2.25(s) -UO2.25 = +1.000U+4 -4.500H+ -0.500e- +2.250H2O - log_k -1 # - delta_h -106.318 kJ/mol # - # Enthalpy of formation: -1128 kJ/mol 92GRE/FUG - - -UO2.34(beta) -UO2.34 = +1.000U+4 -4.680H+ -0.680e- +2.340H2O - log_k 0.63 # - delta_h -117.127 kJ/mol # - # Enthalpy of formation: -1141 kJ/mol 03GUI/FAN - - -UO2.67(s) -UO2.67 = +1.000U+4 -5.340H+ -1.340e- +2.670H2O - log_k 6.85 # - delta_h -161.823 kJ/mol # - # Enthalpy of formation: -1191.6 kJ/mol 92GRE/FUG - - -Coffinite(am) -U(SiO4) = +1.000U+4 -4.000H+ +1.000H4(SiO4) - log_k -1.5 #Estimation based on NEA Guidelines - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -SeU(cr) -SeU = +1.000U+4 -1.000H+ +2.000e- +1.000HSe- - log_k 37.34 # - delta_h -304.9 kJ/mol # - # Enthalpy of formation: -272 kJ/mol 05OLI/NOL - - -UO3Na(s) -UO3Na = +1.000Na+ +1.000UO2+ -2.000H+ +1.000H2O - log_k 8.34 # - delta_h -56.397 kJ/mol # - # Enthalpy of formation: -1494.9 kJ/mol 92GRE/FUG - - -UO4Na3(cr) -UO4Na3 = +3.000Na+ +1.000UO2+ -4.000H+ +2.000H2O - log_k 56.28 # - delta_h -293.807 kJ/mol # - # Enthalpy of formation: -2024 kJ/mol 92GRE/FUG - - -Np(cr) -Np = +1.000Np+3 +3.000e- - log_k 89.85 # - delta_h -527.184 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 01LEM/FUG - - -NpO2OH(am,aged) -NpO2OH = +1.000NpO2+ -1.000H+ +1.000H2O - log_k 4.7 #01LEM/FUG - delta_h -41.111 kJ/mol # - # Enthalpy of formation: -1222.9 kJ/mol 01LEM/FUG - - -NpO2OH(am,fresh) -NpO2OH = +1.000NpO2+ -1.000H+ +1.000H2O - log_k 5.3 #01LEM/FUG - delta_h -41.111 kJ/mol # - # Enthalpy of formation: -1222.9 kJ/mol 01LEM/FUG - - -Np2O5(cr) -Np2O5 = +2.000NpO2+ -2.000H+ +1.000H2O - log_k 3.7 # - delta_h -79.492 kJ/mol # - # Enthalpy of formation: -2162.7 kJ/mol 01LEM/FUG - - -NpO3:H2O(cr) -NpO3:H2O = +1.000NpO2+2 -2.000H+ +2.000H2O - log_k 5.47 #01LEM/FUG - delta_h -52.24 kJ/mol # - # Enthalpy of formation: -1380.153 kJ/mol - - -NpO2(NH4)4(CO3)3(s) -NpO2(NH4)4(CO3)3 = +1.000NpO2+2 +4.000H+ +3.000CO3-2 +4.000NH3 - log_k -26.81 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -K4NpO2(CO3)3(s) -K4NpO2(CO3)3 = +4.000K+ +1.000NpO2+2 +3.000CO3-2 - log_k -26.4 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -TcO2:1.63H2O(s) -TcO2:1.63H2O = +1.000TcO(OH)2 +0.630H2O - log_k -8.4 #99RAR/RAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Tc(cr) -Tc = +1.000TcO(OH)2 +4.000H+ +4.000e- -3.000H2O - log_k -25.08 # - delta_h 108.17 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 99RAR/RAN - - -Eu(cr) -Eu = +1.000Eu+3 +3.000e- - log_k 100.64 # - delta_h -605.331 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 82WAG/EVA - - -Eu(OH)3(am) -Eu(OH)3 = +1.000Eu+3 -3.000H+ +3.000H2O - log_k 17.6 #98DIA/RAG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -EuO(s) -EuO = +1.000Eu+3 -2.000H+ +1.000e- +1.000H2O - log_k 44.77 # - delta_h -300.012 kJ/mol # - # Enthalpy of formation: -591.149 kJ/mol - - -Eu2O3(cubic) -Eu2O3 = +2.000Eu+3 -6.000H+ +3.000H2O - log_k 52.4 #95SPA/BRU - delta_h -405.453 kJ/mol # - # Enthalpy of formation: -1662.7 kJ/mol 82WAG/EVA - - -Eu3O4(s) -Eu3O4 = +3.000Eu+3 -8.000H+ +1.000e- +4.000H2O - log_k 93.02 # - delta_h -689.314 kJ/mol # - # Enthalpy of formation: -2270 kJ/mol - - -Eu(OH)3(cr) -Eu(OH)3 = +1.000Eu+3 -3.000H+ +3.000H2O - log_k 15.46 #98DIA/RAG - delta_h -127.542 kJ/mol # - # Enthalpy of formation: -1335.279 kJ/mol - - -EuCl3(s) -EuCl3 = +1.000Eu+3 +3.000Cl- - log_k 19.72 #96FAL/REA - delta_h -170.571 kJ/mol # - # Enthalpy of formation: -936 kJ/mol 82WAG/EVA - - -EuCl3:6H2O(s) -EuCl3:6H2O = +1.000Eu+3 +3.000Cl- +6.000H2O - log_k 5.2 #95SPA/BRU - delta_h -41.414 kJ/mol # - # Enthalpy of formation: -2780.137 kJ/mol - - -EuOCl(s) -EuOCl = +1.000Eu+3 -2.000H+ +1.000Cl- +1.000H2O - log_k 15.81 #95SPA/BRU - delta_h -154.741 kJ/mol # - # Enthalpy of formation: -903.5 kJ/mol - - -EuCl(OH)2(s) -EuCl(OH)2 = +1.000Eu+3 -2.000H+ +1.000Cl- +2.000H2O - log_k 9.13 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -EuF3(s) -EuF3 = +1.000Eu+3 +3.000F- - log_k -18.5 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -EuBr3(s) -EuBr3 = +1.000Eu+3 +3.000Br- - log_k 30.19 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -EuF3:0.5H2O(s) -EuF3:0.5H2O = +1.000Eu+3 +3.000F- +0.500H2O - log_k -17.2 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -EuCl2(s) -EuCl2 = +1.000Eu+3 +1.000e- +2.000Cl- - log_k 11.22 #95SPA/BRU - delta_h -115.491 kJ/mol # - # Enthalpy of formation: -824 kJ/mol 82WAG/EVA - - -EuSO4(s) -EuSO4 = +1.000Eu+3 +1.000e- +1.000SO4-2 - log_k -2.52 #95SPA/BRU - delta_h -92.864 kJ/mol # - # Enthalpy of formation: -1421.807 kJ/mol - - -Eu(NO3)3:6H2O(s) -Eu(NO3)3:6H2O = +1.000Eu+3 +3.000NO3- +6.000H2O - log_k 1.84 #95SPA/BRU - delta_h 16.839 kJ/mol # - # Enthalpy of formation: -2957.7 kJ/mol 82WAG/EVA - - -Eu(PO4):xH2O(s) -Eu(PO4) = +1.000Eu+3 -2.000H+ +1.000H2(PO4)- - log_k -4.84 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Eu(CO3)(OH):0.5H2O(s) -Eu(CO3)(OH):0.5H2O = +1.000Eu+3 -1.000H+ +1.000CO3-2 +1.500H2O - log_k -7.8 #95SPA/BRU - delta_h -55.906 kJ/mol # - # Enthalpy of formation: -1653.4 kJ/mol 05ROR/FUG - - -Eu(CO3)(OH)(cr) -Eu(CO3)(OH) = +1.000Eu+3 -1.000H+ +1.000CO3-2 +1.000H2O - log_k -9.63 # - delta_h -43.391 kJ/mol # - # Enthalpy of formation: -1523 kJ/mol 05ROR/FUG - - -EuPO4:H2O(cr) -EuPO4:H2O = +1.000Eu+3 -2.000H+ +1.000H2(PO4)- +1.000H2O - log_k -6.44 #97LIU/BYR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Eu2(SO4)3:8H2O(s) -Eu2(SO4)3:8H2O = +2.000Eu+3 +3.000SO4-2 +8.000H2O - log_k -10.2 #95SPA/BRU - delta_h -90.974 kJ/mol # - # Enthalpy of formation: -6134.348 kJ/mol - - -Eu2O3(monoclinic) -Eu2O3 = +2.000Eu+3 -6.000H+ +3.000H2O - log_k 53.47 # - delta_h -418.514 kJ/mol # - # Enthalpy of formation: -1649.638 kJ/mol - - -Sm(cr) -Sm = +1.000Sm+3 +3.000e- - log_k 116.62 # - delta_h -691.199 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 79ROB/HEM - - -Sm2O3(s) -Sm2O3 = +2.000Sm+3 -6.000H+ +3.000H2O - log_k 43.11 # - delta_h -355.039 kJ/mol # - # Enthalpy of formation: -1884.849 kJ/mol - - -SmCl3:6H2O(s) -SmCl3:6H2O = +1.000Sm+3 +3.000Cl- +6.000H2O - log_k 4.8 #96FAL/REA - delta_h -38.311 kJ/mol # - # Enthalpy of formation: -2869.108 kJ/mol - - -SmF3:0.5H2O(s) -SmF3:0.5H2O = +1.000Sm+3 +3.000F- +0.500H2O - log_k -17.5 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -SmOHCO3:0.5H2O(cr) -SmOHCO3:0.5H2O = +1.000Sm+3 -1.000H+ +1.000CO3-2 +1.500H2O - log_k -7.31 # - delta_h -51.074 kJ/mol # - # Enthalpy of formation: -1744.1 kJ/mol 05ROR/FUG - - -SmOHCO3(cr) -SmOHCO3 = +1.000Sm+3 -1.000H+ +1.000CO3-2 +1.000H2O - log_k -10.23 # - delta_h -38.859 kJ/mol # - # Enthalpy of formation: -1613.4 kJ/mol 05ROR/FUG - - -SmPO4:H2O(cr) -SmPO4:H2O = +1.000Sm+3 -2.000H+ +1.000H2(PO4)- +1.000H2O - log_k -6.67 #97LIU/BYR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -SmPO4:H2O(am) -SmPO4:H2O = +1.000Sm+3 -2.000H+ +1.000H2(PO4)- +1.000H2O - log_k -5 #05CET/WOO - delta_h -26.48 kJ/mol # - # Enthalpy of formation: -2253.149 kJ/mol 05CET/WOO - - -MordeniteCa -Ca0.515Al1.03Si4.97O12:3.1H2O = +0.515Ca+2 +1.030Al+3 -4.120H+ +4.970H4(SiO4) -4.780H2O - log_k -2.92 #09BLA - delta_h -74.768 kJ/mol # - # Enthalpy of formation: -6655.295 kJ/mol - - -Sm(OH)3(am) -Sm(OH)3 = +1.000Sm+3 -3.000H+ +3.000H2O - log_k 17.85 #98DIA/RAG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -UO2(CO3)3Na4(cr) -UO2(CO3)3Na4 = +4.000Na+ +1.000UO2+2 +3.000CO3-2 - log_k -27.18 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Na(TcO4):4H2O(s) -Na(TcO4):4H2O = +1.000Na+ +1.000TcO4- +4.000H2O - log_k 0.79 #99RAR/RAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -PdS(s) -PdS = -1.000H+ +1.000Pd+2 +1.000HS- - log_k -46.86 # - delta_h 244.293 kJ/mol # - # Enthalpy of formation: -70.71 kJ/mol 74MIL - - -Cd(SO4):2.67H2O(cr) -Cd(SO4):2.67H2O = +1.000Cd+2 +1.000SO4-2 +2.670H2O - log_k -1.55 # - delta_h -20.126 kJ/mol # - # Enthalpy of formation: -1728.3 kJ/mol 89COX/WAG - - -Si(cr) -Si = +4.000H+ +4.000e- +1.000H4(SiO4) -4.000H2O - log_k 63.19 # - delta_h -317.874 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 89COX/WAG - - -Cristobalite -SiO2 = +1.000H4(SiO4) -2.000H2O - log_k -3.16 # - delta_h 16.5 kJ/mol # - # Enthalpy of formation: -906.034 kJ/mol 04FAB/SAX - - -H3Cit:H2O(cr) -H3Cit:H2O = +3.000H+ +1.000Cit-3 +1.000H2O - log_k -12.94 #05HUM/AND - delta_h 32.71 kJ/mol # - # Enthalpy of formation: -1838.46 kJ/mol - - -Pd(cr) -Pd = +1.000Pd+2 +2.000e- - log_k -33.03 #43TEM/WAT - delta_h 189.883 kJ/mol # - # Enthalpy of formation: 0 kJ/mol - - -Am(cr) -Am = +1.000Am+3 +3.000e- - log_k 104.89 # - delta_h -616.7 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 95SIL/BID - - -Am(CO3)(OH)(am) -Am(CO3)(OH) = -1.000H+ +1.000Am+3 +1.000CO3-2 +1.000H2O - log_k -6.2 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Am(CO3)(OH)(cr) -Am(CO3)(OH) = -1.000H+ +1.000Am+3 +1.000CO3-2 +1.000H2O - log_k -11.51 # - delta_h -25.26 kJ/mol # - # Enthalpy of formation: -1552.5 kJ/mol 05ROR/FUG - - -Ra(cr) -Ra = +1.000Ra+2 +2.000e- - log_k 98.44 # - delta_h -528.025 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 82WAG/EVA - - -Ra(NO3)2(s) -Ra(NO3)2 = +1.000Ra+2 +2.000NO3- - log_k -2.21 # - delta_h 49.98 kJ/mol # - # Enthalpy of formation: -991.706 kJ/mol - - -Ra(SO4)(s) -Ra(SO4) = +1.000Ra+2 +1.000SO4-2 - log_k -10.26 #99SCH, 85LAN/RIE - delta_h 38.91 kJ/mol # - # Enthalpy of formation: -1476.275 kJ/mol - - -RaCl2:2H2O(s) -RaCl2:2H2O = +1.000Ra+2 +2.000Cl- +2.000H2O - log_k -0.73 # - delta_h 32.22 kJ/mol # - # Enthalpy of formation: -1466.065 kJ/mol - - -Ho(cr) -Ho = +1.000Ho+3 +3.000e- - log_k 118.31 # - delta_h -707.042 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 82WAG/EVA - - -HoCl3:6H2O(s) -HoCl3:6H2O = +1.000Ho+3 +3.000Cl- +6.000H2O - log_k 5.39 #95SPA/BRU - delta_h -43.855 kJ/mol # - # Enthalpy of formation: -2879.407 kJ/mol - - -HoF3:0.5H2O(s) -HoF3:0.5H2O = +1.000Ho+3 +3.000F- +0.500H2O - log_k -16.4 #95SPA/BRU - delta_h -149.007 kJ/mol # - # Enthalpy of formation: -1707 kJ/mol 82WAG/EVA - - -Ho(OH)3(s) -Ho(OH)3 = -3.000H+ +1.000Ho+3 +3.000H2O - log_k 15.43 #98DIA/RAG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Ho(PO4):xH2O(s) -Ho(PO4) = -2.000H+ +1.000Ho+3 +1.000H2(PO4)- - log_k -4.64 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Ho2O3(s) -Ho2O3 = -6.000H+ +2.000Ho+3 +3.000H2O - log_k 47.41 # - delta_h -390.718 kJ/mol # - # Enthalpy of formation: -1880.856 kJ/mol - - -Ho(OH)3(am) -Ho(OH)3 = -3.000H+ +1.000Ho+3 +3.000H2O - log_k 17.48 #98DIA/RAG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -HoPO4:H2O(cr) -HoPO4:H2O = -2.000H+ +1.000Ho+3 +1.000H2(PO4)- +1.000H2O - log_k -5.56 #97LIU/BYR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -AmO2OH(am) -AmO2OH = -1.000H+ +1.000AmO2+ +1.000H2O - log_k 5.3 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Ferrosilite -FeSiO3 = +1.000Fe+2 -2.000H+ +1.000H4(SiO4) -1.000H2O - log_k 32.71 #95TRO: CEA, N.T.SESD n° 95/49, L. TROTIGNON avril 1996; Critique et sélection de données thermodynamiques en vue de modéliser les équilibres minéral - solution, rapport annuel 1995 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Pyrrhotite -Fe0.87S = +0.870Fe+2 -1.000H+ -0.260e- +1.000HS- - log_k -5.59 # - delta_h 2.45 kJ/mol # - # Enthalpy of formation: -97.5 kJ/mol 95ROB/HEM - - -Nb2O5(s) -Nb2O5 = +2.000H+ +2.000Nb(OH)6- -7.000H2O - log_k -28.38 #97PEI/NGU - delta_h 52.4 kJ/mol #97PEI/NGU - # Enthalpy of formation: -1902.92 kJ/mol - - -Nb(cr) -Nb = +6.000H+ +1.000Nb(OH)6- +5.000e- -6.000H2O - log_k 41.82 # - delta_h -210.685 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 82WAG/EVA - - -NaNbO3(s) -NaNbO3 = +1.000Na+ +1.000Nb(OH)6- -3.000H2O - log_k -3.66 # - delta_h 7.504 kJ/mol # - # Enthalpy of formation: -1316.013 kJ/mol - - -Rhodochrosite -Mn(CO3) = +1.000Mn+2 +1.000CO3-2 - log_k -11.13 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - delta_h -5.899 kJ/mol # - # Enthalpy of formation: -890.081 kJ/mol - - -PbI2(cr) -PbI2 = +1.000Pb+2 +2.000I- - log_k -8.05 # - delta_h 62.801 kJ/mol # - # Enthalpy of formation: -175.441 kJ/mol - - -Ba(SeO4)(cr) -Ba(SeO4) = +1.000Ba+2 +1.000SeO4-2 - log_k -7.56 #05OLI/NOL - delta_h 5.7 kJ/mol # - # Enthalpy of formation: -1144 kJ/mol 05OLI/NOL - - -Ho2(CO3)3(cr) -Ho2(CO3)3 = +2.000Ho+3 +3.000CO3-2 - log_k -33.8 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -BaCl2(cr) -BaCl2 = +1.000Ba+2 +2.000Cl- - log_k 2.3 # - delta_h -13.76 kJ/mol # - # Enthalpy of formation: -855.2 kJ/mol 95SIL/BID - - -BaO(cr) -BaO = +1.000Ba+2 -2.000H+ +1.000H2O - log_k 48.07 # - delta_h -272.53 kJ/mol # - # Enthalpy of formation: -548.1 kJ/mol 95SIL/BID - - -C(cr) -C = +6.000H+ +4.000e- +1.000CO3-2 -3.000H2O - log_k -32.15 # - delta_h 182.26 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 89COX/WAG - - -S(cr) -S = +8.000H+ +6.000e- +1.000SO4-2 -4.000H2O - log_k -35.84 # - delta_h 233.98 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 89COX/WAG - - -Sm2(SO4)3(s) -Sm2(SO4)3 = +2.000Sm+3 +3.000SO4-2 - log_k -9.8 #95SPA/BRU - delta_h -211.318 kJ/mol # - # Enthalpy of formation: -3899.1 kJ/mol 82WAG/EVA - - -P(cr) -P = +6.000H+ +5.000e- +1.000H2(PO4)- -4.000H2O - log_k 33.04 # - delta_h -159.28 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 89COX/WAG - - -H4Edta(cr) -H4Edta = +4.000H+ +1.000Edta-4 - log_k -27.22 #05HUM/AND - delta_h 55 kJ/mol # - # Enthalpy of formation: -1759.8 kJ/mol - - -Ni(SO4):6H2O(s) -Ni(SO4):6H2O = +1.000Ni+2 +1.000SO4-2 +6.000H2O - log_k -2.25 #05GAM/BUG - delta_h 4.485 kJ/mol #05GAM/BUG - # Enthalpy of formation: -2683.817 kJ/mol - - -Ni(SO4)(cr) -Ni(SO4) = +1.000Ni+2 +1.000SO4-2 - log_k 4.75 #05GAM/BUG - delta_h -91.072 kJ/mol # - # Enthalpy of formation: -873.28 kJ/mol 05GAM/BUG - - -Ni(s) -Ni = +1.000Ni+2 +2.000e- - log_k 8.02 # - delta_h -55.012 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 05GAM/BUG - - -NiI2(s) -NiI2 = +1.000Ni+2 +2.000I- - log_k 9.61 # - delta_h -72.152 kJ/mol # - # Enthalpy of formation: -96.42 kJ/mol 05GAM/BUG - - -NiBr2(s) -NiBr2 = +1.000Ni+2 +2.000Br- - log_k 10.17 # - delta_h -84.332 kJ/mol # - # Enthalpy of formation: -213.5 kJ/mol 05GAM/BUG - - -Ni(BO2)2(s) -Ni(BO2)2 = +1.000Ni+2 +2.000B(OH)4- -4.000H2O - log_k -8.7 #92PEA/BER - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -B2O3(am) -B2O3 = +2.000H+ +2.000B(OH)4- -5.000H2O - log_k -10.63 # - delta_h -6.711 kJ/mol # - # Enthalpy of formation: -1254.371 kJ/mol - - -B(cr) -B = +4.000H+ +3.000e- +1.000B(OH)4- -4.000H2O - log_k 35.93 # - delta_h -201.796 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 92GRE/FUG - - -CaB4O7(s) -CaB4O7 = +1.000Ca+2 +2.000H+ +4.000B(OH)4- -9.000H2O - log_k -23.44 # - delta_h 9.373 kJ/mol # - # Enthalpy of formation: -3360.367 kJ/mol - - -B2O3(cr) -B2O3 = +2.000H+ +2.000B(OH)4- -5.000H2O - log_k -12.74 # - delta_h 12.418 kJ/mol # - # Enthalpy of formation: -1273.5 kJ/mol 01LEM/FUG - - -CaB2O4(s) -CaB2O4 = +1.000Ca+2 +2.000B(OH)4- -4.000H2O - log_k -2.18 # - delta_h -58.908 kJ/mol # - # Enthalpy of formation: -2031.004 kJ/mol - - -ZnB2O4(s) -ZnB2O4 = +1.000Zn+2 +2.000B(OH)4- -4.000H2O - log_k -10.19 #91BAL/NOR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -CdB2O4(s) -CdB2O4 = +1.000Cd+2 +2.000B(OH)4- -4.000H2O - log_k -8.64 #91BAL/NOR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -PbB2O4(s) -PbB2O4 = +1.000Pb+2 +2.000B(OH)4- -4.000H2O - log_k -10.87 #91BAL/NOR - delta_h 2.761 kJ/mol #91BAL/NOR - # Enthalpy of formation: -1548.753 kJ/mol - - -Na2B4O7(cr) -Na2B4O7 = +2.000Na+ +2.000H+ +4.000B(OH)4- -9.000H2O - log_k -16.06 # - delta_h 2.534 kJ/mol # - # Enthalpy of formation: -3291.208 kJ/mol - - -Na2B4O7:10H2O(s) -Na2B4O7:10H2O = +2.000Na+ +2.000H+ +4.000B(OH)4- +1.000H2O - log_k -24.58 # - delta_h 141.721 kJ/mol # - # Enthalpy of formation: -6288.445 kJ/mol - - -Pb(SeO4)(s) -Pb(SeO4) = +1.000Pb+2 +1.000SeO4-2 - log_k -6.9 #05OLI/NOL - delta_h 4.72 kJ/mol #05OLI/NOL - # Enthalpy of formation: -607.3 kJ/mol - - -Mo(s) -Mo = +8.000H+ +6.000e- +1.000MoO4-2 -4.000H2O - log_k -19.58 # - delta_h 146.32 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 82WAG/EVA - - -MoO2(s) -MoO2 = +4.000H+ +2.000e- +1.000MoO4-2 -2.000H2O - log_k -29.88 # - delta_h 162.517 kJ/mol # - # Enthalpy of formation: -587.857 kJ/mol - - -Sb2O5(s) -Sb2O5 = +2.000Sb(OH)5 -5.000H2O - log_k -7.4 #48TOU/MOU in 76BAE/MES - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Cd3(AsO4)2(s) -Cd3(AsO4)2 = +3.000Cd+2 +2.000AsO4-3 - log_k -32.62 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Cm(cr) -Cm = +3.000e- +1.000Cm+3 - log_k 104.31 #01KON - delta_h -615 kJ/mol # - # Enthalpy of formation: 0 kJ/mol - - -Cm(OH)3(am) -Cm(OH)3 = -3.000H+ +1.000Cm+3 +3.000H2O - log_k 17.9 #estimated from ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Cm(OH)3(cr) -Cm(OH)3 = -3.000H+ +1.000Cm+3 +3.000H2O - log_k 15.6 #estimated from ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Cm2O3(cr) -Cm2O3 = -6.000H+ +2.000Cm+3 +3.000H2O - log_k 53.1 # - delta_h -403.49 kJ/mol # - # Enthalpy of formation: -1684 kJ/mol 01KON - - -CmOHCO3(am) -CmOHCO3 = -1.000H+ +1.000CO3-2 +1.000Cm+3 +1.000H2O - log_k -6.12 #estimated in anlogy with Ln(III) and Am(III) - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Cm2(CO3)3(am) -Cm2(CO3)3 = +3.000CO3-2 +2.000Cm+3 - log_k -33.9 #estimated in analogy wiht Ln(III) and Am(III) - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Cd(OH)2(s) -Cd(OH)2 = +1.000Cd+2 -2.000H+ +2.000H2O - log_k 13.86 #91RAI/FEL - delta_h -87.73 kJ/mol # - # Enthalpy of formation: -559.85 kJ/mol - - -Cm(PO4):xH2O(s) -Cm(PO4) = -2.000H+ +1.000H2(PO4)- +1.000Cm+3 - log_k -4.97 #estimated by correlation with Ln(III) - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -CmF3(cr) -CmF3 = +3.000F- +1.000Cm+3 - log_k -13.16 # - delta_h -32.036 kJ/mol # - # Enthalpy of formation: -1589.014 kJ/mol estimated by 97SVE/SHO equation - - -CmCl3(cr) -CmCl3 = +3.000Cl- +1.000Cm+3 - log_k 15.07 # - delta_h -141.84 kJ/mol # - # Enthalpy of formation: -974.4 kJ/mol 85BAR/PAR - - -CmOCl(cr) -CmOCl = -2.000H+ +1.000Cl- +1.000Cm+3 +1.000H2O - log_k 9.49 # - delta_h -104.71 kJ/mol # - # Enthalpy of formation: -963.2 kJ/mol 85BAR/PAR - - -Cm(CO3)(OH):0.5H2O(s) -Cm(CO3)(OH):0.5H2O = -1.000H+ +1.000CO3-2 +1.000Cm+3 +1.500H2O - log_k -7.78 #estimated by correlation with Ln(III) and An(III) - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Cm(CO3)(OH)(cr) -Cm(CO3)(OH) = -1.000H+ +1.000CO3-2 +1.000Cm+3 +1.000H2O - log_k -10.34 #estimated by correlation with Ln(III) and An(III) - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Zn3(AsO4)2(s) -Zn3(AsO4)2 = +3.000Zn+2 +2.000AsO4-3 - log_k -27.45 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Ni(SO4):7H2O(s) -Ni(SO4):7H2O = +1.000Ni+2 +1.000SO4-2 +7.000H2O - log_k -2.27 #05GAM/BUG - delta_h 12.167 kJ/mol #05GAM/BUG - # Enthalpy of formation: -2977.329 kJ/mol - - -NiCl2(s) -NiCl2 = +1.000Ni+2 +2.000Cl- - log_k 8.67 # - delta_h -84.272 kJ/mol # - # Enthalpy of formation: -304.9 kJ/mol 05GAM/BUG - - -NiCl2:4H2O(s) -NiCl2:4H2O = +1.000Ni+2 +2.000Cl- +4.000H2O - log_k 3.82 # - delta_h -18.444 kJ/mol #05GAM/BUG - # Enthalpy of formation: -1514.048 kJ/mol - - -NiCl2:6H2O(s) -NiCl2:6H2O = +1.000Ni+2 +2.000Cl- +6.000H2O - log_k 3.04 # - delta_h 0.548 kJ/mol # - # Enthalpy of formation: -2104.7 kJ/mol 05GAM/BUG - - -NiF2(s) -NiF2 = +1.000Ni+2 +2.000F- - log_k -0.18 # - delta_h -68.412 kJ/mol # - # Enthalpy of formation: -657.3 kJ/mol 05GAM/BUG - - -Heazlewoodite -Ni3S2 = +3.000Ni+2 -2.000H+ +2.000e- +2.000HS- - log_k -17.23 # - delta_h 19.564 kJ/mol # - # Enthalpy of formation: -217.2 kJ/mol 05GAM/BUG - - -Vaesite -NiS2 = +1.000Ni+2 -2.000H+ -2.000e- +2.000HS- - log_k -17.97 # - delta_h 40.388 kJ/mol # - # Enthalpy of formation: -128 kJ/mol 05GAM/BUG - - -Polydymite -Ni3S4 = +3.000Ni+2 -4.000H+ -2.000e- +4.000HS- - log_k -39.27 # - delta_h 96.116 kJ/mol # - # Enthalpy of formation: -326.352 kJ/mol 74MIL - - -Ni3(PO4)2(cr) -Ni3(PO4)2 = +3.000Ni+2 -4.000H+ +2.000H2(PO4)- - log_k 10.253 # - delta_h -188.236 kJ/mol # - # Enthalpy of formation: -2582 kJ/mol 89BAE/McK - - -Ni(SeO3):2H2O(cr) -Ni(SeO3):2H2O = +1.000Ni+2 +1.000SeO3-2 +2.000H2O - log_k -5.8 #05OLI/NOL - delta_h -24.502 kJ/mol # - # Enthalpy of formation: -1109.33 kJ/mol 05OLI/NOL - - -Ni(OH)2(s) -Ni(OH)2 = +1.000Ni+2 -2.000H+ +2.000H2O - log_k 11.03 # - delta_h -84.39 kJ/mol # - # Enthalpy of formation: -542.3 kJ/mol 05GAM/BUG - - -Trevorite -Fe2NiO4 = +2.000Fe+3 +1.000Ni+2 -8.000H+ +4.000H2O - log_k 9.4 # - delta_h -214.413 kJ/mol # - # Enthalpy of formation: -1081.173 kJ/mol - - -Cerussite -Pb(CO3) = +1.000Pb+2 +1.000CO3-2 - log_k -13.29 # - delta_h 27.414 kJ/mol # - # Enthalpy of formation: -701.723 kJ/mol - - -MoO3(s) -MoO3 = +2.000H+ +1.000MoO4-2 -1.000H2O - log_k -11.98 # - delta_h 34.001 kJ/mol # - # Enthalpy of formation: -745.171 kJ/mol - - -H2MoO4(s) -H2MoO4 = +2.000H+ +1.000MoO4-2 - log_k -13.17 # - delta_h 48.763 kJ/mol # - # Enthalpy of formation: -1045.763 kJ/mol - - -Mo3O8(s) -Mo3O8 = +8.000H+ +2.000e- +3.000MoO4-2 -4.000H2O - log_k -63.56 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -MoS2(s) -MoS2 = +6.000H+ +2.000e- +2.000HS- +1.000MoO4-2 -4.000H2O - log_k -69.91 # - delta_h 385.515 kJ/mol # - # Enthalpy of formation: -271.795 kJ/mol - - -MoS3(s) -MoS3 = +5.000H+ +3.000HS- +1.000MoO4-2 -4.000H2O - log_k -68.07 # - delta_h 354.849 kJ/mol # - # Enthalpy of formation: -257.429 kJ/mol - - -Cs2MoO4(s) -Cs2MoO4 = +2.000Cs+ +1.000MoO4-2 - log_k 2.21 # - delta_h 1.581 kJ/mol # - # Enthalpy of formation: -1514.581 kJ/mol - - -Rb2MoO4(s) -Rb2MoO4 = +1.000MoO4-2 +2.000Rb+ - log_k 3.1 # - delta_h -5.391 kJ/mol # - # Enthalpy of formation: -1493.849 kJ/mol - - -MgMoO4(s) -MgMoO4 = +1.000Mg+2 +1.000MoO4-2 - log_k -0.64 # - delta_h -62.967 kJ/mol # - # Enthalpy of formation: -1401.033 kJ/mol - - -CaMoO4(s) -CaMoO4 = +1.000Ca+2 +1.000MoO4-2 - log_k -7.9 # - delta_h 1.424 kJ/mol # - # Enthalpy of formation: -1541.424 kJ/mol - - -SrMoO4(s) -SrMoO4 = +1.000Sr+2 +1.000MoO4-2 - log_k -6.59 #54RAO in 74OHA/KEN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -BaMoO4(s) -BaMoO4 = +1.000Ba+2 +1.000MoO4-2 - log_k -7.83 # - delta_h 13.822 kJ/mol # - # Enthalpy of formation: -1545.622 kJ/mol - - -PbMoO4(s) -PbMoO4 = +1.000Pb+2 +1.000MoO4-2 - log_k -15.8 # - delta_h 55.795 kJ/mol # - # Enthalpy of formation: -1051.875 kJ/mol - - -FeMoO4(s) -FeMoO4 = +1.000Fe+2 +1.000MoO4-2 - log_k -8.35 # - delta_h -11.534 kJ/mol # - # Enthalpy of formation: -1075.466 kJ/mol - - -As(s) -As = +8.000H+ +5.000e- +1.000AsO4-3 -4.000H2O - log_k -52.59 # - delta_h 255.18 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 92GRE/FUG - - -As2O5(s) -As2O5 = +6.000H+ +2.000AsO4-3 -3.000H2O - log_k -34.54 # - delta_h 6.08 kJ/mol # - # Enthalpy of formation: -924.87 kJ/mol 92GRE/FUG - - -Claudetite -As2O3 = +10.000H+ +4.000e- +2.000AsO4-3 -5.000H2O - log_k -81.39 # - delta_h 307.369 kJ/mol # - # Enthalpy of formation: -654.499 kJ/mol - - -Orpiment -As2S3 = +13.000H+ +4.000e- +3.000HS- +2.000AsO4-3 -8.000H2O - log_k -127.46 # - delta_h 552.683 kJ/mol # - # Enthalpy of formation: -91.223 kJ/mol - - -Realgar -AsS = +7.000H+ +3.000e- +1.000HS- +1.000AsO4-3 -4.000H2O - log_k -67.06 # - delta_h 310.286 kJ/mol # - # Enthalpy of formation: -71.406 kJ/mol - - -Ca(SeO3):H2O(s) -Ca(SeO3):H2O = +1.000Ca+2 +1.000SeO3-2 +1.000H2O - log_k -6.4 #05OLI/NOL - delta_h -11.19 kJ/mol # - # Enthalpy of formation: -1324.8 kJ/mol 05OLI/NOL - - -Cu(SeO3):2H2O(s) -Cu(SeO3):2H2O = +1.000Cu+2 +1.000SeO3-2 +2.000H2O - log_k -9.5 #Average value from 56CHU and 93SLA/POP in 05OLI/NOL - delta_h -15.32 kJ/mol # - # Enthalpy of formation: -998.6 kJ/mol 05OLI/NOL - - -Fe2(SeO3)3:6H2O(s) -Fe2(SeO3)3:6H2O = +2.000Fe+3 +3.000SeO3-2 +6.000H2O - log_k -41.58 #05OLI/NOL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -HgSeO3(s) -HgSeO3 = +1.000Hg+2 +1.000SeO3-2 - log_k -16.2 #05OLI/NOL - delta_h 36.65 kJ/mol # - # Enthalpy of formation: -373.6 kJ/mol 05OLI/NOL - - -Downeyite -SeO2 = +2.000H+ +1.000SeO3-2 -1.000H2O - log_k -8.15 # - delta_h 4.06 kJ/mol # - # Enthalpy of formation: -225.39 kJ/mol 05OLI/NOL - - -Tc2O7:H2O(s) -Tc2O7:H2O = +2.000H+ +2.000TcO4- - log_k 14.1 # - delta_h -44.654 kJ/mol # - # Enthalpy of formation: -1414.146 kJ/mol 99RAR/RAN - - -Tc2O7(s) -Tc2O7 = +2.000H+ +2.000TcO4- -1.000H2O - log_k 15.31 # - delta_h -46.47 kJ/mol # - # Enthalpy of formation: -1126.5 kJ/mol 99RAR/RAN - - -K(TcO4)(s) -K(TcO4) = +1.000K+ +1.000TcO4- - log_k -2.28 # - delta_h 53.56 kJ/mol # - # Enthalpy of formation: -1035.1 kJ/mol 99RAR/RAN - - -Cu2Se(alfa) -Cu2Se = +2.000Cu+ -1.000H+ +1.000HSe- - log_k -45.89 #01SEB/POT - delta_h 216.94 kJ/mol # - # Enthalpy of formation: -59.3 kJ/mol 05OLI/NOL - - -CuSe(alfa) -CuSe = +1.000Cu+2 -1.000H+ +1.000HSe- - log_k -25.46 # - delta_h 118.7 kJ/mol # - # Enthalpy of formation: -39.5 kJ/mol 05OLI/NOL - - -Tiemannite -HgSe = +1.000Hg+2 -1.000H+ +1.000HSe- - log_k -45.43 # - delta_h 241.521 kJ/mol # - # Enthalpy of formation: -57.011 kJ/mol - - -MnSe(alfa) -MnSe = +1.000Mn+2 -1.000H+ +1.000HSe- - log_k 0.3 # - delta_h -28.579 kJ/mol # - # Enthalpy of formation: -177.921 kJ/mol - - -PdSe(s) -PdSe = -1.000H+ +1.000Pd+2 +1.000HSe- - log_k -49.11 # - delta_h 254.463 kJ/mol # - # Enthalpy of formation: -50.28 kJ/mol 74MIL - - -SnSe(alfa) -SnSe = +1.000Sn+2 -1.000H+ +1.000HSe- - log_k -21.63 # - delta_h 114.9 kJ/mol # - # Enthalpy of formation: -109.5 kJ/mol 05OLI/NOL - - -Se(s) -Se = -1.000H+ -2.000e- +1.000HSe- - log_k -7.62 # - delta_h 14.3 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 92GRE/FUG - - -Se3U(cr) -Se3U = +1.000UO2+2 +1.000H+ +3.000HSe- -2.000H2O - log_k -18.27 # - delta_h 47.56 kJ/mol # - # Enthalpy of formation: -452 kJ/mol 92GRE/FUG - - -Ag(SeCn)(cr) -Ag(SeCn) = +1.000Ag+ -1.000H+ -2.000e- +1.000Cn- +1.000HSe- - log_k -27.03 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Ag2(SeO4)(s) -Ag2(SeO4) = +2.000Ag+ +1.000SeO4-2 - log_k -7.86 #05OLI/NOL - delta_h 30.59 kJ/mol # - # Enthalpy of formation: -422.51 kJ/mol 05OLI/NOL - - -Mg(SeO4):6H2O(s) -Mg(SeO4):6H2O = +1.000Mg+2 +1.000SeO4-2 +6.000H2O - log_k -1.133 #05OLI/NOL - delta_h -4.08 kJ/mol # - # Enthalpy of formation: -2781.4 kJ/mol 05OLI/NOL - - -SeO3(cr) -SeO3 = +2.000H+ +1.000SeO4-2 -1.000H2O - log_k 20.36 # - delta_h -154.57 kJ/mol # - # Enthalpy of formation: -163.1 kJ/mol 05OLI/NOL - - -Zn(SeO4):6H2O(s) -Zn(SeO4):6H2O = +1.000Zn+2 +1.000SeO4-2 +6.000H2O - log_k -1.538 #05OLI/NOL - delta_h -13.33 kJ/mol # - # Enthalpy of formation: -2458.54 kJ/mol 05OLI/NOL - - -Ni(SeO4):6H2O(s) -Ni(SeO4):6H2O = +1.000Ni+2 +1.000SeO4-2 +6.000H2O - log_k -1.381 #05OLI/NOL - delta_h -3.787 kJ/mol # - # Enthalpy of formation: -2369.705 kJ/mol - - -Calcite -CaCO3 = +1.000Ca+2 +1.000CO3-2 - log_k -8.48 #82PLUM/BUS - delta_h -10.62 kJ/mol #82PLUM/BUS - # Enthalpy of formation: -1207.61 kJ/mol - - -Aragonite -CaCO3 = +1.000Ca+2 +1.000CO3-2 - log_k -8.31 # - delta_h -10.454 kJ/mol # - # Enthalpy of formation: -1207.776 kJ/mol 87GAR/PAR - - -Vaterite -CaCO3 = +1.000Ca+2 +1.000CO3-2 - log_k -7.9 # - delta_h -14.93 kJ/mol # - # Enthalpy of formation: -1203.3 kJ/mol 87GAR/PAR - - -Anhydrite -Ca(SO4) = +1.000Ca+2 +1.000SO4-2 - log_k -4.44 # - delta_h -17.94 kJ/mol # - # Enthalpy of formation: -1434.4 kJ/mol 95ROB/HEM - - -Hydroxyapatite -Ca5(OH)(PO4)3 = +5.000Ca+2 -7.000H+ +3.000H2(PO4)- +1.000H2O - log_k 14.35 #84NAN - delta_h -178.487 kJ/mol # - # Enthalpy of formation: -6730.143 kJ/mol - - -Fluorapatite -Ca5F(PO4)3 = +5.000Ca+2 -6.000H+ +1.000F- +3.000H2(PO4)- - log_k -0.91 #74HAG - delta_h -115.603 kJ/mol # - # Enthalpy of formation: -6842.547 kJ/mol - - -Brushite -Ca(HPO4):2H2O = +1.000Ca+2 -1.000H+ +1.000H2(PO4)- +2.000H2O - log_k 0.6 #84NAN - delta_h -7.375 kJ/mol # - # Enthalpy of formation: -2409.885 kJ/mol - - -Ca3(PO4)2(alfa) -Ca3(PO4)2 = +3.000Ca+2 -4.000H+ +2.000H2(PO4)- - log_k 10.22 #84NAN - delta_h -125.3 kJ/mol # - # Enthalpy of formation: -4108.9 kJ/mol - - -Ca2(Pyrophos)(s) -Ca2(Pyrophos) = +2.000Ca+2 +1.000Pyrophos-4 - log_k -15.5 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Ca(SO3)(s) -Ca(SO3) = +1.000Ca+2 +1.000SO3-2 - log_k -6.5 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Ca3(AsO4)2(s) -Ca3(AsO4)2 = +3.000Ca+2 +2.000AsO4-3 - log_k -18.9 # - delta_h -106.866 kJ/mol # - # Enthalpy of formation: -3298.413 kJ/mol - - -Rb(s) -Rb = +1.000e- +1.000Rb+ - log_k 49.76 # - delta_h -251.12 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 92GRE/FUG - - -Al(PO4)(cr) -Al(PO4) = +1.000Al+3 -2.000H+ +1.000H2(PO4)- - log_k -2.94 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - #delta_h kJ/mol # - # Enthalpy of formation: -1822.8 kJ/mol - - -Berlinite -Al(PO4) = +1.000Al+3 -2.000H+ +1.000H2(PO4)- - log_k -0.57 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Ca(SeO4):2H2O(s) -Ca(SeO4):2H2O = +1.000Ca+2 +1.000SeO4-2 +2.000H2O - log_k -2.68 #05OLI/NOL - delta_h -9.16 kJ/mol # - # Enthalpy of formation: -1709 kJ/mol 05OLI/NOL - - -Portlandite -Ca(OH)2 = +1.000Ca+2 -2.000H+ +2.000H2O - log_k 22.81 #10BLA/BOU - delta_h -130.078 kJ/mol # - # Enthalpy of formation: -984.582 kJ/mol - - -MgF2(cr) -MgF2 = +1.000Mg+2 +2.000F- - log_k -9.22 #92GRE/FUG - delta_h -13.5 kJ/mol # - # Enthalpy of formation: -1124.2 kJ/mol - - -Mg(HPO4):3H2O(s) -Mg(HPO4):3H2O = +1.000Mg+2 -1.000H+ +1.000H2(PO4)- +3.000H2O - log_k 1.41 #01WEN/MUS - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Mg3(PO4)2(cr) -Mg3(PO4)2 = +3.000Mg+2 -4.000H+ +2.000H2(PO4)- - log_k 15.82 #68RAC/SOP - delta_h -214.093 kJ/mol # - # Enthalpy of formation: -3792.107 kJ/mol - - -Mg3(PO4)2:8H2O(s) -Mg3(PO4)2:8H2O = +3.000Mg+2 -4.000H+ +2.000H2(PO4)- +8.000H2O - log_k 13.9 #63TAY/FRA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Mg3(PO4)2:22H2O(s) -Mg3(PO4)2:22H2O = +3.000Mg+2 -4.000H+ +2.000H2(PO4)- +22.000H2O - log_k 16 #63TAY/FRA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Brucite -Mg(OH)2 = +1.000Mg+2 -2.000H+ +2.000H2O - log_k 17.1 #03ALT/MET - delta_h -114.16 kJ/mol # - # Enthalpy of formation: -924.5 kJ/mol 95ROB/HEM - - -Sr(OH)2(s) -Sr(OH)2 = +1.000Sr+2 -2.000H+ +2.000H2O - log_k 27.51 # - delta_h -153.67 kJ/mol # - # Enthalpy of formation: -968.89 kJ/mol 98CHA - - -Strontianite -Sr(CO3) = +1.000Sr+2 +1.000CO3-2 - log_k -9.27 #84BUS/PLU - delta_h -0.366 kJ/mol # - # Enthalpy of formation: -1225.764 kJ/mol - - -Celestite -Sr(SO4) = +1.000Sr+2 +1.000SO4-2 - log_k -6.62 #06BLA/ING - delta_h -2.451 kJ/mol # - # Enthalpy of formation: -1457.788 kJ/mol - - -SrCl2(s) -SrCl2 = +1.000Sr+2 +2.000Cl- - log_k 8.12 # - delta_h -56.21 kJ/mol # - # Enthalpy of formation: -828.85 kJ/mol 98CHA - - -SrCl2:H2O(s) -SrCl2:H2O = +1.000Sr+2 +2.000Cl- +1.000H2O - log_k 4.91 # - delta_h -34.09 kJ/mol # - # Enthalpy of formation: -1136.8 kJ/mol 82WAG/EVA - - -SrCl2:6H2O(s) -SrCl2:6H2O = +1.000Sr+2 +2.000Cl- +6.000H2O - log_k 1.61 # - delta_h 23.76 kJ/mol # - # Enthalpy of formation: -2623.8 kJ/mol 82WAG/EVA - - -SrF2(cr) -SrF2 = +1.000Sr+2 +2.000F- - log_k -8.54 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Sr(HPO4)(s) -Sr(HPO4) = +1.000Sr+2 -1.000H+ +1.000H2(PO4)- - log_k 0.28 #97MAR/SMI - delta_h -19.487 kJ/mol # - # Enthalpy of formation: -1834.012 kJ/mol - - -Sr3(PO4)2(s) -Sr3(PO4)2 = +3.000Sr+2 -4.000H+ +2.000H2(PO4)- - log_k 10.53 #06BLA/ING - delta_h -147.9 kJ/mol # - # Enthalpy of formation: -4110 kJ/mol 97KHA/JEM - - -Sr3(AsO4)2(s) -Sr3(AsO4)2 = +3.000Sr+2 +2.000AsO4-3 - log_k -16.08 # - delta_h -109.493 kJ/mol # - # Enthalpy of formation: -3319.487 kJ/mol - - -Sr(SeO3)(cr) -Sr(SeO3) = +1.000Sr+2 +1.000SeO3-2 - log_k -6.3 #05OLI/NOL - delta_h -6.16 kJ/mol # - # Enthalpy of formation: -1051.9 kJ/mol 05OLI/NOL - - -Sr(NO3)2(cr) -Sr(NO3)2 = +1.000Sr+2 +2.000NO3- - log_k 0.4 # - delta_h 17.76 kJ/mol # - # Enthalpy of formation: -982.36 kJ/mol 92GRE/FUG - - -Sr(NO3)2:2H2O(s) -Sr(NO3)2:2H2O = +1.000Sr+2 +2.000NO3- +2.000H2O - log_k 0.05 #25/08/1994 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Fe(PO4)(cr) -Fe(PO4) = +1.000Fe+3 -2.000H+ +1.000H2(PO4)- - log_k -6.24 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - delta_h -18.6 kJ/mol # - # Enthalpy of formation: -1333 kJ/mol - - -Ferrihydrite(am) -Fe(OH)3 = +1.000Fe+3 -3.000H+ +3.000H2O - log_k 2.54 #63SCH/MIC - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Goethite -FeOOH = +1.000Fe+3 -3.000H+ +2.000H2O - log_k 0.39 #63SCH/MIC - delta_h -61.522 kJ/mol # - # Enthalpy of formation: -559.124 kJ/mol - - -Hematite -Fe2O3 = +2.000Fe+3 -6.000H+ +3.000H2O - log_k -1.02 #05GRI - delta_h -123.679 kJ/mol # - # Enthalpy of formation: -831.811 kJ/mol - - -Siderite -Fe(CO3) = +1.000Fe+2 +1.000CO3-2 - log_k -10.8 #92BRU/WER - delta_h -12.012 kJ/mol # - # Enthalpy of formation: -753.218 kJ/mol - - -Fe(OH)2(cr) -Fe(OH)2 = +1.000Fe+2 -2.000H+ +2.000H2O - log_k 12.76 # - delta_h -99.056 kJ/mol # - # Enthalpy of formation: -574.011 kJ/mol - - -Rhodochrosite(syn) -Mn(CO3) = +1.000Mn+2 +1.000CO3-2 - log_k -10.52 # - delta_h -6.792 kJ/mol # - # Enthalpy of formation: -889.188 kJ/mol 92JOH - - -Alabandite -MnS = +1.000Mn+2 -1.000H+ +1.000HS- - log_k 0.9 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Mn2(Pyrophos)(s) -Mn2(Pyrophos) = +2.000Mn+2 +1.000Pyrophos-4 - log_k -19.5 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Mn(H2SiO4)(s) -Mn(H2SiO4) = +1.000Mn+2 -2.000H+ +1.000H4(SiO4) - log_k 12.44 #88CHA/NEW - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Mn(SeO3):2H2O(cr) -Mn(SeO3):2H2O = +1.000Mn+2 +1.000SeO3-2 +2.000H2O - log_k -7.6 #05OLI/NOL - delta_h -18.92 kJ/mol # - # Enthalpy of formation: -1280.7 kJ/mol 05OLI/NOL - - -Pyrochroite -Mn(OH)2 = +1.000Mn+2 -2.000H+ +2.000H2O - log_k 15.3 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Cu3(AsO4)2(s) -Cu3(AsO4)2 = +3.000Cu+2 +2.000AsO4-3 - log_k -34.88 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Ba(OH)2:8H2O(cr) -Ba(OH)2:8H2O = +1.000Ba+2 -2.000H+ +10.000H2O - log_k 23.87 # - delta_h -52.509 kJ/mol # - # Enthalpy of formation: -3340.591 kJ/mol - - -Witherite -Ba(CO3) = +1.000Ba+2 +1.000CO3-2 - log_k -8.56 #86BUS/PLU - delta_h 2.941 kJ/mol #86BUS/PLU - # Enthalpy of formation: -1212.971 kJ/mol - - -Barite -Ba(SO4) = +1.000Ba+2 +1.000SO4-2 - log_k -9.97 #85LAN/MEL in 90NOR/PLU - delta_h 26.46 kJ/mol #85LAN/MEL in 90NOR/PLU - # Enthalpy of formation: -1470.6 kJ/mol - - -BaF2(cr) -BaF2 = +1.000Ba+2 +2.000F- - log_k -6.32 # - delta_h 1.631 kJ/mol # - # Enthalpy of formation: -1207.131 kJ/mol - - -Ba(SeO3)(s) -Ba(SeO3) = +1.000Ba+2 +1.000SeO3-2 - log_k -6.5 #05OLI/NOL - delta_h -5.26 kJ/mol # - # Enthalpy of formation: -1036.7 kJ/mol 05OLI/NOL - - -Cd(CO3)(s) -Cd(CO3) = +1.000Cd+2 +1.000CO3-2 - log_k -12.1 #91RAI/FEL - delta_h 1.482 kJ/mol # - # Enthalpy of formation: -752.632 kJ/mol - - -CdS(s) -CdS = +1.000Cd+2 -1.000H+ +1.000HS- - log_k -14.82 #99WAN/TES - delta_h 56.57 kJ/mol # - # Enthalpy of formation: -148.79 kJ/mol 06DEO/WAV - - -Pa(cr) -Pa = +4.000e- +1.000Pa+4 - log_k 98.75 # - delta_h -620 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 85BAR/PAR - - -PaO2(s) -PaO2 = -4.000H+ +1.000Pa+4 +2.000H2O - log_k 0.6 #76BAE/MES - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Pa2O5(s) -Pa2O5 = -2.000H+ +2.000PaO2+ +1.000H2O - log_k -4 #76BAE/MES - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Hg2SeO3(s) -Hg2SeO3 = +1.000SeO3-2 +1.000Hg2+2 - log_k -15.2 #05OLI/NOL - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Zr(cr) -Zr = +4.000e- +1.000Zr+4 - log_k 92.59 # - delta_h -608.5 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 05BRO/CUR - - -ZrO2(cr) -ZrO2 = -4.000H+ +1.000Zr+4 +2.000H2O - log_k -7 # - delta_h -79.56 kJ/mol # - # Enthalpy of formation: -1100.6 kJ/mol 05BRO/CUR - - -Zr(OH)4(am,fresh) -Zr(OH)4 = -4.000H+ +1.000Zr+4 +4.000H2O - log_k -3.24 #05BRO/CUR - delta_h -89.62 kJ/mol # - # Enthalpy of formation: -1662.2 kJ/mol 05BRO/CUR - - -Zr(OH)4(am,aged) -Zr(OH)4 = -4.000H+ +1.000Zr+4 +4.000H2O - log_k -5.55 #Recalculated from 04EKB/KAL in 05BRO/CUR - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -ZrSiO4(s) -ZrSiO4 = -4.000H+ +1.000H4(SiO4) +1.000Zr+4 - log_k -14.36 # - delta_h -35.494 kJ/mol # - # Enthalpy of formation: -2034.2 kJ/mol 05BRO/CUR - - -Zr(SO4)2(cr) -Zr(SO4)2 = +2.000SO4-2 +1.000Zr+4 - log_k 1.24 # - delta_h -181.98 kJ/mol # - # Enthalpy of formation: -2245.2 kJ/mol 05BRO/CUR - - -Zr(SO4)2:4H2O(s) -Zr(SO4)2:4H2O = +2.000SO4-2 +1.000Zr+4 +4.000H2O - log_k -7.65 # - delta_h -99.6 kJ/mol # - # Enthalpy of formation: -3470.9 kJ/mol 05BRO/CUR - - -ZrF2(s) -ZrF2 = +2.000e- +2.000F- +1.000Zr+4 - log_k 32.61 # - delta_h -323.2 kJ/mol # - # Enthalpy of formation: -956 kJ/mol 97VIS/COR - - -ZrF3(s) -ZrF3 = +1.000e- +3.000F- +1.000Zr+4 - log_k 2.8 # - delta_h -181.55 kJ/mol # - # Enthalpy of formation: -1433 kJ/mol 97VIS/COR - - -ZrF4(beta) -ZrF4 = +4.000F- +1.000Zr+4 - log_k -27.25 # - delta_h -38.6 kJ/mol # - # Enthalpy of formation: -1911.3 kJ/mol 05BRO/CUR - - -ZrCl(s) -ZrCl = +3.000e- +1.000Cl- +1.000Zr+4 - log_k 69.24 # - delta_h -484.38 kJ/mol # - # Enthalpy of formation: -291.2 kJ/mol 05BRO/CUR - - -ZrCl2(s) -ZrCl2 = +2.000e- +2.000Cl- +1.000Zr+4 - log_k 51.65 # - delta_h -399.86 kJ/mol # - # Enthalpy of formation: -542.8 kJ/mol 05BRO/CUR - - -ZrCl3(s) -ZrCl3 = +1.000e- +3.000Cl- +1.000Zr+4 - log_k 40.72 # - delta_h -349.64 kJ/mol # - # Enthalpy of formation: -760.1 kJ/mol 05BRO/CUR - - -ZrCl4(s) -ZrCl4 = +4.000Cl- +1.000Zr+4 - log_k 28.6 # - delta_h -296.02 kJ/mol # - # Enthalpy of formation: -980.8 kJ/mol 05BRO/CUR - - -Zr(HPO4)2(alfa) -Zr(HPO4)2 = -2.000H+ +2.000H2(PO4)- +1.000Zr+4 - log_k -32.27 # - delta_h -47.5 kJ/mol # - # Enthalpy of formation: -3166.2 kJ/mol 05BRO/CUR - - -Ca2ZrSi3O12(cr) -Ca2ZrSi3O12 = +2.000Ca+2 -12.000H+ -4.000e- +3.000H4(SiO4) +1.000Zr+4 - log_k -68.27 # - delta_h 204.918 kJ/mol # - # Enthalpy of formation: -6283 kJ/mol 05BRO/CUR - - -Ca3ZrSi2O9(cr) -Ca3ZrSi2O9 = +3.000Ca+2 -10.000H+ +2.000H4(SiO4) +1.000Zr+4 +1.000H2O - log_k 47.87 # - delta_h -416.718 kJ/mol # - # Enthalpy of formation: -5029 kJ/mol 05BRO/CUR - - -SrZrSi2O7(cr) -SrZrSi2O7 = +1.000Sr+2 -6.000H+ +2.000H4(SiO4) +1.000Zr+4 -1.000H2O - log_k 5.2 # - delta_h -155.158 kJ/mol # - # Enthalpy of formation: -3640.8 kJ/mol 05BRO/CUR - - -Na2ZrSiO5(cr) -Na2ZrSiO5 = +2.000Na+ -6.000H+ +1.000H4(SiO4) +1.000Zr+4 +1.000H2O - log_k 13.19 # - delta_h -166.204 kJ/mol # - # Enthalpy of formation: -2670 kJ/mol 05BRO/CUR - - -Na2ZrSi2O7(cr) -Na2ZrSi2O7 = +2.000Na+ -6.000H+ +2.000H4(SiO4) +1.000Zr+4 -1.000H2O - log_k 3.74 # - delta_h -119.738 kJ/mol # - # Enthalpy of formation: -3606 kJ/mol 05BRO/CUR - - -Na2ZrSi3O9:2H2O(cr) -Na2ZrSi3O9:2H2O = +2.000Na+ -6.000H+ +3.000H4(SiO4) +1.000Zr+4 -1.000H2O - log_k 15.58 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Na2ZrSi4O11(cr) -Na2ZrSi4O11 = +2.000Na+ -6.000H+ +4.000H4(SiO4) +1.000Zr+4 -5.000H2O - log_k -13.56 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Na2ZrSi6O15:3H2O(cr) -Na2ZrSi6O15:3H2O = +2.000Na+ -6.000H+ +6.000H4(SiO4) +1.000Zr+4 -6.000H2O - log_k 16.46 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Na4Zr2Si3O12(cr) -Na4Zr2Si3O12 = +4.000Na+ -12.000H+ +3.000H4(SiO4) +2.000Zr+4 - log_k 15.51 # - delta_h -276.942 kJ/mol # - # Enthalpy of formation: -6285 kJ/mol 05BRO/CUR - - -Zr(HPO4)2:H2O(cr) -Zr(HPO4)2:H2O = -2.000H+ +2.000H2(PO4)- +1.000Zr+4 +1.000H2O - log_k -27.08 #05BRO/CUR - delta_h -33.43 kJ/mol # - # Enthalpy of formation: -3466.1 kJ/mol 05BRO/CUR - - -ZrBr4(cr) -ZrBr4 = +4.000Br- +1.000Zr+4 - log_k 38.52 # - delta_h -334.64 kJ/mol # - # Enthalpy of formation: -759.5 kJ/mol 05BRO/CUR - - -ZrI4(cr) -ZrI4 = +4.000I- +1.000Zr+4 - log_k 44.59 # - delta_h -346.72 kJ/mol # - # Enthalpy of formation: -488.9 kJ/mol 05BRO/CUR - - -AmCl6Cs2Na(cr) -AmCl6Cs2Na = +1.000Na+ +2.000Cs+ +1.000Am+3 +6.000Cl- - log_k 12.56 # - delta_h -59.72 kJ/mol # - # Enthalpy of formation: -2315.8 kJ/mol 03GUI/FAN - - -HfO2(am) -HfO2 = -4.000H+ +1.000Hf+4 +2.000H2O - log_k 0.9 #01RAI/XIA - #delta_h kJ/mol # - # Enthalpy of formation: -1101.7 kJ/mol 98KAR/CHE - - -HfO2(cr) -HfO2 = -4.000H+ +1.000Hf+4 +2.000H2O - log_k -5.6 # - #delta_h kJ/mol # - # Enthalpy of formation: -1117.63 kJ/mol 75KOR/USH - - -Hf(HPO4)2:H2O(s) -Hf(HPO4)2:H2O = -2.000H+ +2.000H2(PO4)- +1.000Hf+4 +1.000H2O - log_k -21.05 #25HEV/KIM recalculated - #delta_h kJ/mol # - # Enthalpy of formation: -3481.6 kJ/mol 97KAR/CHE - - -Sb(cr) -Sb = +3.000H+ +3.000e- +1.000Sb(OH)3 -3.000H2O - log_k -11.67 # - delta_h 83.6 kJ/mol # - # Enthalpy of formation: 0 kJ/mol - - -Valentinite -Sb2O3 = +2.000Sb(OH)3 -3.000H2O - log_k -8.48 #52GAY/GAY in 76BAE/MES - delta_h 18.5 kJ/mol # - # Enthalpy of formation: -708.77 kJ/mol 62MAH in 03ZOT/SHI - - -Stibnite -Sb2S3 = +3.000H+ +3.000HS- +2.000Sb(OH)3 -6.000H2O - log_k -56.03 # - delta_h 269.695 kJ/mol # - # Enthalpy of formation: -151.4 kJ/mol 95ROB/HEM - - -Hydrocerussite -Pb3(CO3)2(OH)2 = +3.000Pb+2 -2.000H+ +2.000CO3-2 +2.000H2O - log_k -17.91 # - delta_h -5.16 kJ/mol # - # Enthalpy of formation: -1914.2 kJ/mol 83SAN/BAR - - -Cr(s) -Cr = +8.000H+ +6.000e- +1.000CrO4-2 -4.000H2O - log_k -39.31 # - delta_h 264.3 kJ/mol # - # Enthalpy of formation: 0 kJ/mol - - -CrO2(cr) -CrO2 = +4.000H+ +2.000e- +1.000CrO4-2 -2.000H2O - log_k -51.68 # - delta_h 290.56 kJ/mol # - # Enthalpy of formation: -597.9 kJ/mol 93BAR, 04CHI - - -CrO3(cr) -CrO3 = +2.000H+ +1.000CrO4-2 -1.000H2O - log_k -3.02 # - delta_h -10.07 kJ/mol # - # Enthalpy of formation: -583.1 kJ/mol 98BAL/NOR, 04CHI - - -Cr(OH)2(cr) -Cr(OH)2 = -2.000H+ +1.000Cr+2 +2.000H2O - log_k 11 #41HUM/STO, 04CHI - delta_h -75.459 kJ/mol # - # Enthalpy of formation: -653.82 kJ/mol - - -CrS(s) -CrS = -1.000H+ +1.000HS- +1.000Cr+2 - log_k 1.66 # - delta_h -38.8 kJ/mol # - # Enthalpy of formation: -135.143 kJ/mol 84PAN - - -CrCl2(cr) -CrCl2 = +2.000Cl- +1.000Cr+2 - log_k 12.73 # - delta_h -103.5 kJ/mol # - # Enthalpy of formation: -388.3 kJ/mol 98BAL/NOR - - -Cr(OH)3(cr) -Cr(OH)3 = -3.000H+ +1.000Cr+3 +3.000H2O - log_k 9.35 #87RAI/SAS, 04CHI - delta_h -115.31 kJ/mol # - # Enthalpy of formation: -982.679 kJ/mol - - -Cr2O3(cr) -Cr2O3 = -6.000H+ +2.000Cr+3 +3.000H2O - log_k 7.75 # - delta_h -198 kJ/mol # - # Enthalpy of formation: -1140.5 kJ/mol 04CHI - - -CrPO4(green) -CrPO4 = -2.000H+ +1.000H2(PO4)- +1.000Cr+3 - log_k -3.06 #51ZHA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -CrPO4(purple) -CrPO4 = -2.000H+ +1.000H2(PO4)- +1.000Cr+3 - log_k 2.56 #51ZHA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Cr2(SO4)3(s) -Cr2(SO4)3 = +3.000SO4-2 +2.000Cr+3 - log_k 4.38 # - delta_h -277.72 kJ/mol # - # Enthalpy of formation: -2931.3 kJ/mol 91KNA/KUB - - -Cr2S3(s) -Cr2S3 = -3.000H+ +3.000HS- +2.000Cr+3 - log_k 3.26 # - delta_h -195.2 kJ/mol # - # Enthalpy of formation: -334.7 kJ/mol 84PAN - - -CrCl3(cr) -CrCl3 = +3.000Cl- +1.000Cr+3 - log_k 20.19 # - delta_h -197.3 kJ/mol # - # Enthalpy of formation: -544.4 kJ/mol 98BAL/NOR - - -Smectite-MX80 -(Ca0.01Na0.434K0.026)(Si3.612Al0.388)(Al1.608Fe0.184Fe0.038Mg0.228)O10(OH)2 = +0.010Ca+2 +0.228Mg+2 +0.026K+ +0.434Na+ +0.184Fe+3 +0.038Fe+2 +1.996Al+3 -7.552H+ +3.612H4(SiO4) -2.448H2O - log_k 8.21 # - delta_h -214.262 kJ/mol # - # Enthalpy of formation: -5673.71 kJ/mol 09GAI - - -UO4Li2(s) -UO4Li2 = +2.000Li+ +1.000UO2+2 -4.000H+ +2.000H2O - log_k 27.94 # - delta_h -179.4 kJ/mol # - # Enthalpy of formation: -1968.2 kJ/mol 92GRE/FUG - - -Anglesite -Pb(SO4) = +1.000Pb+2 +1.000SO4-2 - log_k -7.85 # - delta_h 11.55 kJ/mol # - # Enthalpy of formation: -919.97 kJ/mol 89COX/WAG - - -PbF2(s) -PbF2 = +1.000Pb+2 +2.000F- - log_k -7.52 #99LOT/OCH - delta_h 6.53 kJ/mol # - # Enthalpy of formation: -676.31 kJ/mol - - -Np(CO3)(OH)(s) -Np(CO3)(OH) = +1.000Np+3 -1.000H+ +1.000CO3-2 +1.000H2O - log_k -6.06 #Estimated by correlation with An(III) in function of ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Np(OH)3(s) -Np(OH)3 = +1.000Np+3 -3.000H+ +3.000H2O - log_k 18 #80ALL/KIP - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Galena -PbS = +1.000Pb+2 -1.000H+ +1.000HS- - log_k -14.84 # - delta_h 82.94 kJ/mol # - # Enthalpy of formation: -98.32 kJ/mol 98CHA - - -Pb(HPO4)(s) -Pb(HPO4) = +1.000Pb+2 -1.000H+ +1.000H2(PO4)- - log_k -4.25 #74NRI - delta_h 16.436 kJ/mol # - # Enthalpy of formation: -1318.116 kJ/mol - - -Pb3(PO4)2(s) -Pb3(PO4)2 = +3.000Pb+2 -4.000H+ +2.000H2(PO4)- - log_k -5.26 #74NRI - delta_h -3.548 kJ/mol # - # Enthalpy of formation: -2598.892 kJ/mol - - -Pyromorphite-OH -Pb5(OH)(PO4)3 = +5.000Pb+2 -7.000H+ +3.000H2(PO4)- +1.000H2O - log_k -4.15 #74NRI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Pb2(SiO4)(s) -Pb2(SiO4) = +2.000Pb+2 -4.000H+ +1.000H4(SiO4) - log_k 15.89 # - delta_h -81.474 kJ/mol # - # Enthalpy of formation: -1377.88 kJ/mol 98CHA - - -Pb3(AsO4)2(s) -Pb3(AsO4)2 = +3.000Pb+2 +2.000AsO4-3 - log_k -35.4 #74NAU/RYZ - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Minnesotaite -Fe3Si4O10(OH)2 = +3.000Fe+2 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k 14.93 # - delta_h -148.466 kJ/mol # - # Enthalpy of formation: -4822.99 kJ/mol 83MIY/KLE - - -Greenalite -Fe3Si2O5(OH)4 = +3.000Fe+2 -6.000H+ +2.000H4(SiO4) +1.000H2O - log_k 21.77 # - delta_h -177.218 kJ/mol # - # Enthalpy of formation: -3301 kJ/mol 83MIY/KLE - - -Pb(SeO3)(s) -Pb(SeO3) = +1.000Pb+2 +1.000SeO3-2 - log_k -12.5 #05OLI/NOL - delta_h 25.84 kJ/mol # - # Enthalpy of formation: -532.08 kJ/mol 05OLI/NOL - - -Pb(cr) -Pb = +1.000Pb+2 +2.000e- - log_k 4.25 # - delta_h 0.92 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 89COX/WAG - - -Co3(AsO4)2(s) -Co3(AsO4)2 = +3.000Co+2 +2.000AsO4-3 - log_k -27.56 # - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Ag2(CO3)(s) -Ag2(CO3) = +2.000Ag+ +1.000CO3-2 - log_k -11.05 # - delta_h 42.073 kJ/mol # - # Enthalpy of formation: -505.723 kJ/mol - - -AgCl(cr) -AgCl = +1.000Ag+ +1.000Cl- - log_k -9.75 # - delta_h 65.72 kJ/mol # - # Enthalpy of formation: -127.01 kJ/mol 92GRE/FUG - - -AgBr(s) -AgBr = +1.000Ag+ +1.000Br- - log_k -12.29 # - delta_h 84.725 kJ/mol # - # Enthalpy of formation: -100.345 kJ/mol - - -AgI(s) -AgI = +1.000Ag+ +1.000I- - log_k -16.04 # - delta_h 110.764 kJ/mol # - # Enthalpy of formation: -61.754 kJ/mol - - -Acanthite -Ag2S = +2.000Ag+ -1.000H+ +1.000HS- - log_k -36.07 # - delta_h 224.768 kJ/mol # - # Enthalpy of formation: -29.488 kJ/mol - - -Ag2(MoO4)(s) -Ag2(MoO4) = +2.000Ag+ +1.000MoO4-2 - log_k -11.46 # - delta_h 55.354 kJ/mol # - # Enthalpy of formation: -840.774 kJ/mol - - -Compreignacite -K2(UO2)6O4(OH)6:7H2O = +2.000K+ +6.000UO2+2 -14.000H+ +17.000H2O - log_k 35.8 #08GOR/FEI - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Sodium-compreignacite -Na2(UO2)6O4(OH)6:7H2O = +2.000Na+ +6.000UO2+2 -14.000H+ +17.000H2O - log_k 39.4 #08GOR/FEI - delta_h -517.39 kJ/mol # - # Enthalpy of formation: -10936.4 kJ/mol 06KUB/HEL - - -Ag2(SeO3)(s) -Ag2(SeO3) = +2.000Ag+ +1.000SeO3-2 - log_k -15.8 #05OLI/NOL - delta_h 67.86 kJ/mol # - # Enthalpy of formation: -363.44 kJ/mol 05OLI/NOL - - -Ag(OH)(s) -Ag(OH) = +1.000Ag+ -1.000H+ +1.000H2O - log_k 6.3 #76BAE/MES - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Al(PO4):2H2O(s) -Al(PO4):2H2O = +1.000Al+3 -2.000H+ +1.000H2(PO4)- +2.000H2O - log_k -2.51 #620BRG91.025 ANDRA 21.10.94 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Al2(OH)(PO4)2(s) -Al2(OH)(PO4)2 = +2.000Al+3 -5.000H+ -1.000e- +2.000H2(PO4)- +1.000H2O - log_k -15.88 #620BRG91.025 ANDRA 21.10.94 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Kaolinite -Al2(Si2O5)(OH)4 = +2.000Al+3 -6.000H+ +2.000H4(SiO4) +1.000H2O - log_k 6.48 # - delta_h -169.718 kJ/mol # - # Enthalpy of formation: -4115.3 kJ/mol 01FIA/NAV - - -Gibbsite -Al(OH)3 = +1.000Al+3 -3.000H+ +3.000H2O - log_k 7.74 #95POK/HEL - delta_h -102.759 kJ/mol # - # Enthalpy of formation: -1293.131 kJ/mol - - -Cs2(CO3)(s) -Cs2(CO3) = +2.000Cs+ +1.000CO3-2 - log_k 9.9 # - delta_h -55.348 kJ/mol # - # Enthalpy of formation: -1135.882 kJ/mol - - -Cs2(SO4)(s) -Cs2(SO4) = +2.000Cs+ +1.000SO4-2 - log_k 0.58 # - delta_h 17.756 kJ/mol # - # Enthalpy of formation: -1443.096 kJ/mol - - -Romarchite -SnO = +1.000Sn+2 -2.000H+ +1.000H2O - log_k 2.5 #02HUM/BER - delta_h -15.439 kJ/mol # - # Enthalpy of formation: -279.291 kJ/mol - - -Herzenbergite -SnS = +1.000Sn+2 -1.000H+ +1.000HS- - log_k -14.7 #87PEI/FRE recalculated in 02HUM/BER - delta_h 75.951 kJ/mol # - # Enthalpy of formation: -101.152 kJ/mol - - -Sn(OH)4(s) -Sn(OH)4 = +1.000Sn+4 -4.000H+ +4.000H2O - log_k -1.28 #70BAR/KLI in 01SEB/POT - delta_h -2.82 kJ/mol # - # Enthalpy of formation: -1110 kJ/mol 82WAG/EVA - - -SnO2(am) -SnO2 = +1.000Sn+4 -4.000H+ +2.000H2O - log_k -6.81 #02HUM/BER - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Berndtite -SnS2 = +1.000Sn+4 -2.000H+ +2.000HS- - log_k -29.31 # - delta_h 147.7 kJ/mol # - # Enthalpy of formation: -149.8 kJ/mol 95ROB/HEM - - -Quartz -SiO2 = +1.000H4(SiO4) -2.000H2O - log_k -3.74 # - delta_h 21.166 kJ/mol # - # Enthalpy of formation: -910.7 kJ/mol 82RIC/BOT - - -Pyrite -FeS2 = +1.000Fe+2 -2.000H+ -2.000e- +2.000HS- - log_k -15.79 # - delta_h 45.05 kJ/mol # - # Enthalpy of formation: -167.65 kJ/mol 76RAU in 04CHI - - -MnO2(s) -MnO2 = +1.000Mn+2 -4.000H+ -2.000e- +2.000H2O - log_k 42 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Plattnerite -PbO2 = +1.000Pb+2 -4.000H+ -2.000e- +2.000H2O - log_k 49.6 # - delta_h -296.27 kJ/mol # - # Enthalpy of formation: -274.47 kJ/mol 98CHA - - -UO4Sr(alfa) -UO4Sr = +1.000Sr+2 +1.000UO2+2 -4.000H+ +2.000H2O - log_k 19.16 # - delta_h -151.96 kJ/mol # - # Enthalpy of formation: -1989.6 kJ/mol 92GRE/FUG - - -Th(HPO4)2(s) -Th(HPO4)2 = +1.000Th+4 -2.000H+ +2.000H2(PO4)- - log_k -16.11 #Estimated from An(IV) correlations - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -ThO2(aged) -ThO2 = +1.000Th+4 -4.000H+ +2.000H2O - log_k 8.5 #09RAN/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -UO2(SO4):3H2O(cr) -UO2(SO4):3H2O = +1.000UO2+2 +1.000SO4-2 +3.000H2O - log_k -1.5 #92GRE/FUG - delta_h -34.33 kJ/mol # - # Enthalpy of formation: -2751.5 kJ/mol 92GRE/FUG - - -UO2(SO4):3.5H2O(cr) -UO2(SO4):3.5H2O = +1.000UO2+2 +1.000SO4-2 +3.500H2O - log_k -1.59 # - delta_h -27.145 kJ/mol # - # Enthalpy of formation: -2901.6 kJ/mol 92GRE/FUG - - -UO2(SO3)(cr) -UO2(SO3) = +1.000UO2+2 +1.000SO3-2 - log_k -15.83 # - delta_h 6.45 kJ/mol # - # Enthalpy of formation: -1661 kJ/mol 92GRE/FUG - - -UO2(SO4)(cr) -UO2(SO4) = +1.000UO2+2 +1.000SO4-2 - log_k 1.89 #92GRE/FUG - delta_h -83.2 kJ/mol # - # Enthalpy of formation: -1845.14 kJ/mol 92GRE/FUG - +(UO2)2(As2O7)(cr) +(UO2)2(As2O7) = 2.000UO2+2 + 2.000H+ + 2.000AsO4-3 - 1.000H2O + log_k -29.010 + delta_h -102.450 #kJ/mol + # Enthalpy of formation: -3426 #kJ/mol #92GRE/FUG + -analytic -4.69584E+1 0E+0 5.35133E+3 0E+0 0E+0 (UO2)3(AsO4)2(cr) -(UO2)3(AsO4)2 = +3.000UO2+2 +2.000AsO4-3 - log_k -27.4 # - delta_h -143.88 kJ/mol # - # Enthalpy of formation: -4689.4 kJ/mol 92GRE/FUG - - -(UO2)2(As2O7)(cr) -(UO2)2(As2O7) = +2.000UO2+2 +2.000H+ +2.000AsO4-3 -1.000H2O - log_k -29.01 # - delta_h -102.45 kJ/mol # - # Enthalpy of formation: -3426 kJ/mol 92GRE/FUG - - -(UO2)3(PO4)2:6H2O(s) -(UO2)3(PO4)2:6H2O = +3.000UO2+2 -4.000H+ +2.000H2(PO4)- +6.000H2O - log_k -10.2 # - delta_h -48.78 kJ/mol # - # Enthalpy of formation: -7328.4 kJ/mol 03GUI/FAN - - -UO3(alfa) -UO3 = +1.000UO2+2 -2.000H+ +1.000H2O - log_k 9.52 # - delta_h -92.42 kJ/mol # - # Enthalpy of formation: -1212.41 kJ/mol 03GUI/FAN - - -UO3(beta) -UO3 = +1.000UO2+2 -2.000H+ +1.000H2O - log_k 8.3 # - delta_h -84.53 kJ/mol # - # Enthalpy of formation: -1220.3 kJ/mol 92GRE/FUG - - -UO2(OH)2(beta) -UO2(OH)2 = +1.000UO2+2 -2.000H+ +2.000H2O - log_k 4.93 # - delta_h -56.86 kJ/mol # - # Enthalpy of formation: -1533.8 kJ/mol 92GRE/FUG - - -Schoepite -UO3:2H2O = +1.000UO2+2 -2.000H+ +3.000H2O - log_k 5.96 #91SAN/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Schoepite(des) -UO3:0.9H2O = +1.000UO2+2 -2.000H+ +1.900H2O - log_k 5 # - delta_h -55.777 kJ/mol # - # Enthalpy of formation: -1506.3 kJ/mol 92GRE/FUG - - -UO2(SO4):2.5H2O(cr) -UO2(SO4):2.5H2O = +1.000UO2+2 +1.000SO4-2 +2.500H2O - log_k -1.59 # - delta_h -35.915 kJ/mol # - # Enthalpy of formation: -2607 kJ/mol 92GRE/FUG +(UO2)3(AsO4)2 = 3.000UO2+2 + 2.000AsO4-3 + log_k -27.400 + delta_h -143.880 #kJ/mol + # Enthalpy of formation: -4689.4 #kJ/mol #92GRE/FUG + -analytic -5.26067E+1 0E+0 7.51536E+3 0E+0 0E+0 +(UO2)3(PO4)2(cr) +(UO2)3(PO4)2 = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- + log_k 2.800 + delta_h -170.900 #kJ/mol + # Enthalpy of formation: -5491.3 #kJ/mol #92GRE/FUG + -analytic -2.71404E+1 0E+0 8.92672E+3 0E+0 0E+0 (UO2)3(PO4)2:4H2O(cr) -(UO2)3(PO4)2:4H2O = +3.000UO2+2 -4.000H+ +2.000H2(PO4)- +4.000H2O - log_k -14.15 #92SAN/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -UO2(HPO4):4H2O(cr) -UO2(HPO4):4H2O = +1.000UO2+2 -1.000H+ +1.000H2(PO4)- +4.000H2O - log_k -4.64 #92GRE/FUG - delta_h 5.048 kJ/mol # - # Enthalpy of formation: -3469.968 kJ/mol - - -UO4Na2(alfa) -UO4Na2 = +2.000Na+ +1.000UO2+2 -4.000H+ +2.000H2O - log_k 30.03 # - delta_h -173.64 kJ/mol # - # Enthalpy of formation: -1897.7 kJ/mol 92GRE/FUG - - -UO4Ca(cr) -UO4Ca = +1.000Ca+2 +1.000UO2+2 -4.000H+ +2.000H2O - log_k 15.93 # - delta_h -131.36 kJ/mol # - # Enthalpy of formation: -2002.3 kJ/mol 92GRE/FUG - - -UO4Mg(cr) -UO4Mg = +1.000Mg+2 +1.000UO2+2 -4.000H+ +2.000H2O - log_k 23.23 # - delta_h -200.36 kJ/mol # - # Enthalpy of formation: -1857.3 kJ/mol 92GRE/FUG - - -PuO2(OH)2:H2O(s) -PuO2(OH)2:H2O = +1.000PuO2+2 -2.000H+ +3.000H2O - log_k 5.5 #01LEM/FUG - delta_h -46.718 kJ/mol # - # Enthalpy of formation: -1632.808 kJ/mol - - -PuO2(CO3)(s) -PuO2(CO3) = +1.000PuO2+2 +1.000CO3-2 - log_k -14.65 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -PuO2(OH)(s) -PuO2(OH) = +1.000PuO2+ -1.000H+ +1.000H2O - log_k 5 #01LEM/FUG - delta_h -36.164 kJ/mol # - # Enthalpy of formation: -1159.793 kJ/mol - - -PuO2(s) -PuO2 = +1.000Pu+4 -4.000H+ +2.000H2O - log_k -8.03 # - delta_h -55.755 kJ/mol # - # Enthalpy of formation: -1055.8 kJ/mol 01LEM/FUG - - -PuF4(s) -PuF4 = +1.000Pu+4 +4.000F- - log_k -26.07 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Pu(HPO4)2(am,hyd) -Pu(HPO4)2 = +1.000Pu+4 -2.000H+ +2.000H2(PO4)- - log_k -16.03 #01LEM/FUG - delta_h -32.718 kJ/mol # - # Enthalpy of formation: -3112.377 kJ/mol - - -Pu2O3(s) -Pu2O3 = +2.000Pu+3 -6.000H+ +3.000H2O - log_k 50.63 # - delta_h -385.07 kJ/mol # - # Enthalpy of formation: -1656 kJ/mol 01LEM/FUG - - -Pu(OH)3(cr) -Pu(OH)3 = +1.000Pu+3 -3.000H+ +3.000H2O - log_k 15.8 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Pu(CO3)(OH)(s) -Pu(CO3)(OH) = +1.000Pu+3 -1.000H+ +1.000CO3-2 +1.000H2O - log_k -5.74 #Estimated by correlation with An(III) in function of ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Pu(PO4)(s,hyd) -Pu(PO4) = +1.000Pu+3 -2.000H+ +1.000H2(PO4)- - log_k -5.04 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -U(HPO4)2:4H2O(s) -U(HPO4)2:4H2O = +1.000U+4 -2.000H+ +2.000H2(PO4)- +4.000H2O - log_k -16.07 #92GRE/FUG - delta_h -4.902 kJ/mol # - # Enthalpy of formation: -4334.819 kJ/mol - - -U(OH)2(SO4)(cr) -U(OH)2(SO4) = +1.000U+4 -2.000H+ +1.000SO4-2 +2.000H2O - log_k -3.17 #92GRE/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -US2(cr) -US2 = +1.000U+4 -2.000H+ +2.000HS- - log_k -2.43 # - delta_h -103.4 kJ/mol # - # Enthalpy of formation: -520.4 kJ/mol 92GRE/FUG - - -U(SO4)2(cr) -U(SO4)2 = +1.000U+4 +2.000SO4-2 - log_k -11.68 # - delta_h -100.28 kJ/mol # - # Enthalpy of formation: -2309.6 kJ/mol 92GRE/FUG - - -U(SO4)2:4H2O(cr) -U(SO4)2:4H2O = +1.000U+4 +2.000SO4-2 +4.000H2O - log_k -11.72 # - delta_h -70 kJ/mol # - # Enthalpy of formation: -3483.2 kJ/mol 92GRE/FUG - - -U(SO4)2:8H2O(cr) -U(SO4)2:8H2O = +1.000U+4 +2.000SO4-2 +8.000H2O - log_k -12.77 # - delta_h -33.92 kJ/mol # - # Enthalpy of formation: -4662.6 kJ/mol 92GRE/FUG - - -USe2(beta) -USe2 = +1.000U+4 -2.000H+ +2.000HSe- - log_k 2.82 # - delta_h -135.6 kJ/mol # - # Enthalpy of formation: -427 kJ/mol 92GRE/FUG - - -Uraninite -UO2 = +1.000U+4 -4.000H+ +2.000H2O - log_k -4.85 # - delta_h -77.86 kJ/mol # - # Enthalpy of formation: -1085 kJ/mol 92GRE/FUG - - -Coffinite -U(SiO4) = +1.000U+4 -4.000H+ +1.000H4(SiO4) - log_k -7.8 # - delta_h -61.07 kJ/mol # - # Enthalpy of formation: -1991.326 kJ/mol - - -Rutherfordine -(UO2)(CO3) = +1.000UO2+2 +1.000CO3-2 - log_k -14.76 #03GUI/FAN - delta_h -2.929 kJ/mol # - # Enthalpy of formation: -1691.301 kJ/mol - - -NpO2(s) -NpO2 = +1.000Np+4 -4.000H+ +2.000H2O - log_k -9.75 # - delta_h -53.682 kJ/mol # - # Enthalpy of formation: -1074 kJ/mol 01LEM/FUG - - -NpO2:2H2O(am) -NpO2:2H2O = +1.000Np+4 -4.000H+ +4.000H2O - log_k -0.7 #03GUI/FAN - delta_h -81.156 kJ/mol # - # Enthalpy of formation: -1618.186 kJ/mol - - -Np(HPO4)2(s) -Np(HPO4)2 = +1.000Np+4 -2.000H+ +2.000H2(PO4)- - log_k -16.06 #Estimated by correlation with An(III) in function of ionic radii - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -NpO2(CO3)2Na3(s) -NpO2(CO3)2Na3 = +3.000Na+ +1.000NpO2+ +2.000CO3-2 - log_k -14.22 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -NpO2(CO3)Na:3.5H2O(s) -NpO2(CO3)Na:3.5H2O = +1.000Na+ +1.000NpO2+ +1.000CO3-2 +3.500H2O - log_k -11 #03GUI/FAN - delta_h 30.995 kJ/mol # - # Enthalpy of formation: -2925.151 kJ/mol - -NpO2(CO3)(s) -NpO2(CO3) = +1.000NpO2+2 +1.000CO3-2 - log_k -14.6 #01LEM/FUG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -TcO2(cr) -TcO2 = +1.000TcO(OH)2 -1.000H2O - log_k -9.14 #97NGU/LAN - delta_h -5.69 kJ/mol # - # Enthalpy of formation: -457.8 kJ/mol 99RAR/RAN - - -Eu2(CO3)3:3H2O(s) -Eu2(CO3)3:3H2O = +2.000Eu+3 +3.000CO3-2 +3.000H2O - log_k -35 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Sm(OH)3(s) -Sm(OH)3 = +1.000Sm+3 -3.000H+ +3.000H2O - log_k 16.13 #98DIA/RAG - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Sm2(CO3)3(s) -Sm2(CO3)3 = +2.000Sm+3 +3.000CO3-2 - log_k -34.5 #95SPA/BRU - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -U2O7Na2(s) -U2O7Na2 = +2.000Na+ +2.000UO2+2 -6.000H+ +3.000H2O - log_k 22.6 # - delta_h -172.37 kJ/mol # - # Enthalpy of formation: -3203.8 kJ/mol 92GRE/FUG - - -PdBr2(cr) -PdBr2 = +1.000Pd+2 +2.000Br- - log_k -13.31 #89BAE/McK - delta_h 51.263 kJ/mol # - # Enthalpy of formation: -104.2 kJ/mol 89BAE/McK - - -PdCl2(cr) -PdCl2 = +1.000Pd+2 +2.000Cl- - log_k -9.2 # - delta_h 54.423 kJ/mol # - # Enthalpy of formation: -198.7 kJ/mol 82WAG/EVA - - -PdI2(cr) -PdI2 = +1.000Pd+2 +2.000I- - log_k -25.87 # - delta_h 139.923 kJ/mol # - # Enthalpy of formation: -63.6 kJ/mol 89BAE/McK - - -Pd(OH)2(s) -Pd(OH)2 = -2.000H+ +1.000Pd+2 +2.000H2O - log_k -1.61 #70NAB/KAL - delta_h 13.223 kJ/mol # - # Enthalpy of formation: -395 kJ/mol 82WAG/EVA - - -PdO(s) -PdO = -2.000H+ +1.000Pd+2 +1.000H2O - log_k -6.02 # - delta_h -10.547 kJ/mol # - # Enthalpy of formation: -85.4 kJ/mol 82WAG/EVA - - -AmO2(cr) -AmO2 = -4.000H+ +1.000Am+3 -1.000e- +2.000H2O - log_k 34.21 # - delta_h -256.16 kJ/mol # - # Enthalpy of formation: -932.2 kJ/mol 95SIL/BID - - -Am2O3(cr) -Am2O3 = -6.000H+ +2.000Am+3 +3.000H2O - log_k 53.15 # - delta_h -400.49 kJ/mol # - # Enthalpy of formation: -1690.4 kJ/mol 95SIL/BID - - -AmF3(cr) -AmF3 = +1.000Am+3 +3.000F- - log_k -13.4 # - delta_h -28.75 kJ/mol # - # Enthalpy of formation: -1594 kJ/mol 03GUI/FAN - - -AmI3(cr) -AmI3 = +1.000Am+3 +3.000I- - log_k 25.3 # - delta_h -172.04 kJ/mol # - # Enthalpy of formation: -615 kJ/mol 03GUI/FAN - - -AmOCl(cr) -AmOCl = -2.000H+ +1.000Am+3 +1.000Cl- +1.000H2O - log_k 12.26 # - delta_h -119.81 kJ/mol # - # Enthalpy of formation: -949.8 kJ/mol 95SIL/BID - - -AmCl3(cr) -AmCl3 = +1.000Am+3 +3.000Cl- - log_k 15.28 # - delta_h -140.14 kJ/mol # - # Enthalpy of formation: -977.8 kJ/mol 95SIL/BID - - -AmOBr(cr) -AmOBr = -2.000H+ +1.000Am+3 +1.000Br- +1.000H2O - log_k 15.98 # - delta_h -136.94 kJ/mol # - # Enthalpy of formation: -887 kJ/mol 03GUI/FAN - - -AmBr3(cr) -AmBr3 = +1.000Am+3 +3.000Br- - log_k 23.93 # - delta_h -176.93 kJ/mol # - # Enthalpy of formation: -804 kJ/mol 03GUI/FAN - - -Am(CO3)2Na:5H2O(s) -Am(CO3)2Na:5H2O = +1.000Na+ +1.000Am+3 +2.000CO3-2 +5.000H2O - log_k -21 #03GUI/FAN - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - - -Am2(CO3)3(cr) -Am2(CO3)3 = +2.000Am+3 +3.000CO3-2 - log_k -33.4 #95SIL/BID - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - +(UO2)3(PO4)2:4H2O = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- + 4.000H2O + log_k -14.150 #92SAN/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.415E+1 0E+0 0E+0 0E+0 0E+0 + +(UO2)3(PO4)2:6H2O(s) +(UO2)3(PO4)2:6H2O = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- + 6.000H2O + log_k -10.200 + delta_h -48.780 #kJ/mol + # Enthalpy of formation: -7328.4 #kJ/mol #03GUI/FAN + -analytic -1.87459E+1 0E+0 2.54795E+3 0E+0 0E+0 + +Acanthite +Ag2S = 2.000Ag+ - 1.000H+ + 1.000HS- + log_k -36.070 + delta_h 224.768 #kJ/mol + # Enthalpy of formation: -29.488 #kJ/mol + -analytic 3.30761E+0 0E+0 -1.17404E+4 0E+0 0E+0 + +Acmite +NaFeSi2O6 = 1.000Na+ + 1.000Fe+3 - 4.000H+ + 2.000H4(SiO4) - 2.000H2O + log_k 0.920 + delta_h -55.568 #kJ/mol + # Enthalpy of formation: -2584.5 #kJ/mol #95ROB/HEM + -analytic -8.81508E+0 0E+0 2.90251E+3 0E+0 0E+0 + +Afwillite +Ca3Si2O4(OH)6 = 3.000Ca+2 - 6.000H+ + 2.000H4(SiO4) + 2.000H2O + log_k 49.420 #10BLA/BOU + delta_h -269.228 #kJ/mol + # Enthalpy of formation: -4853.82 #kJ/mol #10BLA/BOU + -analytic 2.25335E+0 0E+0 1.40627E+4 0E+0 0E+0 + +Ag(OH)(s) +Ag(OH) = 1.000Ag+ - 1.000H+ + 1.000H2O + log_k 6.300 #76BAE/MES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.3E+0 0E+0 0E+0 0E+0 0E+0 + +Ag(SeCn)(cr) +Ag(SeCn) = 1.000Ag+ + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 + log_k -70.020 + #delta_h 0.0 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7.002E+1 0E+0 0E+0 0E+0 0E+0 + +Ag(s) +Ag = 1.000Ag+ + 0.500H2O - 1.000H+ - 0.250O2 + log_k 7.985 + delta_h -34.092 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #95SIL/BID + -analytic 2.01243E+0 0E+0 1.78072E+3 0E+0 0E+0 + +Ag2(CO3)(s) +Ag2(CO3) = 2.000Ag+ + 1.000CO3-2 + log_k -11.050 + delta_h 42.073 #kJ/mol + # Enthalpy of formation: -505.723 #kJ/mol + -analytic -3.67914E+0 0E+0 -2.19762E+3 0E+0 0E+0 + +Ag2(MoO4)(s) +Ag2(MoO4) = 2.000Ag+ + 1.000MoO4-2 + log_k -11.460 + delta_h 55.354 #kJ/mol + # Enthalpy of formation: -840.774 #kJ/mol + -analytic -1.76241E+0 0E+0 -2.89134E+3 0E+0 0E+0 + +Ag2(SO4)(s) +Ag2(SO4) = 2.000Ag+ + 1.000SO4-2 + log_k -5.010 + delta_h 18.162 #kJ/mol + # Enthalpy of formation: -715.922 #kJ/mol + -analytic -1.82816E+0 0E+0 -9.48666E+2 0E+0 0E+0 + +Ag2(SeO3)(s) +Ag2(SeO3) = 2.000Ag+ + 1.000SeO3-2 + log_k -15.800 #05OLI/NOL + delta_h 67.860 #kJ/mol + # Enthalpy of formation: -363.44 #kJ/mol #05OLI/NOL + -analytic -3.91146E+0 0E+0 -3.54457E+3 0E+0 0E+0 + +Ag2(SeO4)(s) +Ag2(SeO4) = 2.000Ag+ + 1.000SeO4-2 + log_k -7.860 #05OLI/NOL + delta_h 30.590 #kJ/mol + # Enthalpy of formation: -422.51 #kJ/mol #05OLI/NOL + -analytic -2.50087E+0 0E+0 -1.59782E+3 0E+0 0E+0 + +Ag2Se(alfa) +Ag2Se = 2.000Ag+ - 1.000H+ + 1.000HSe- + log_k -42.850 + delta_h 266.009 #kJ/mol + # Enthalpy of formation: -40.129 #kJ/mol + -analytic 3.75271E+0 0E+0 -1.38946E+4 0E+0 0E+0 + +Ag3(PO4)(s) +Ag3(PO4) = 3.000Ag+ - 2.000H+ + 1.000H2(PO4)- + log_k 2.010 #03B¿T in 76SMI/MAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.01E+0 0E+0 0E+0 0E+0 0E+0 + +AgBr(s) +AgBr = 1.000Ag+ + 1.000Br- + log_k -12.290 + delta_h 84.725 #kJ/mol + # Enthalpy of formation: -100.345 #kJ/mol + -analytic 2.55316E+0 0E+0 -4.42549E+3 0E+0 0E+0 + +AgCl(cr) +AgCl = 1.000Ag+ + 1.000Cl- + log_k -9.750 + delta_h 65.720 #kJ/mol + # Enthalpy of formation: -127.01 #kJ/mol #92GRE/FUG + -analytic 1.76363E+0 0E+0 -3.43279E+3 0E+0 0E+0 + +AgI(s) +AgI = 1.000Ag+ + 1.000I- + log_k -16.040 + delta_h 110.764 #kJ/mol + # Enthalpy of formation: -61.754 #kJ/mol + -analytic 3.36499E+0 0E+0 -5.7856E+3 0E+0 0E+0 + +Al(PO4)(cr) +Al(PO4) = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)- + log_k -2.940 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: -1822.8 #kJ/mol + -analytic -2.94E+0 0E+0 0E+0 0E+0 0E+0 + +Al(PO4):2H2O(s) +Al(PO4):2H2O = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)- + 2.000H2O + log_k -2.510 #620BRG91.025 ANDRA 21.10.94 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.51E+0 0E+0 0E+0 0E+0 0E+0 + +Al(s) +Al = 1.000Al+3 + 1.500H2O - 3.000H+ - 0.750O2 + log_k 149.915 + delta_h -958.045 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #95POK/HEL + -analytic -1.79269E+1 0E+0 5.00421E+4 0E+0 0E+0 + +Al2(OH)(PO4)2(s) +Al2(OH)(PO4)2 = 2.000Al+3 - 4.000H+ + 2.000H2(PO4)- + 0.500H2O + 0.250O2 + log_k -37.375 #620BRG91.025 ANDRA 21.10.94 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.7375E+1 0E+0 0E+0 0E+0 0E+0 + +Alabandite +MnS = 1.000Mn+2 - 1.000H+ + 1.000HS- + log_k 0.900 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9E-1 0E+0 0E+0 0E+0 0E+0 + +Alamosite +PbSiO3 = 1.000Pb+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O + log_k 6.170 + delta_h -29.451 #kJ/mol + # Enthalpy of formation: -1144.993 #kJ/mol #98CHA + -analytic 1.01041E+0 0E+0 1.53833E+3 0E+0 0E+0 + +Albite-high +NaAlSi3O8 = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O + log_k 4.140 + delta_h -95.623 #kJ/mol + # Enthalpy of formation: -3923.38 #kJ/mol #99ARN/STE + -analytic -1.26124E+1 0E+0 4.99473E+3 0E+0 0E+0 + +Albite-low +NaAlSi3O8 = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O + log_k 2.740 + delta_h -82.813 #kJ/mol + # Enthalpy of formation: -3936.19 #kJ/mol #99ARN/STE + -analytic -1.17682E+1 0E+0 4.32562E+3 0E+0 0E+0 + +Am(CO3)(OH)(am) +Am(CO3)(OH) = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.000H2O + log_k -6.200 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.2E+0 0E+0 0E+0 0E+0 0E+0 + +Am(CO3)(OH)(cr) +Am(CO3)(OH) = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.000H2O + log_k -11.510 + delta_h -25.260 #kJ/mol + # Enthalpy of formation: -1552.5 #kJ/mol #05ROR/FUG + -analytic -1.59354E+1 0E+0 1.31942E+3 0E+0 0E+0 Am(CO3)(OH):0.5H2O(cr) -Am(CO3)(OH):0.5H2O = -1.000H+ +1.000Am+3 +1.000CO3-2 +1.500H2O - log_k -8.4 #03GUI/FAN - delta_h -37.775 kJ/mol # - # Enthalpy of formation: -1682.9 kJ/mol 03GUI/FAN +Am(CO3)(OH):0.5H2O = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.500H2O + log_k -8.400 #03GUI/FAN + delta_h -37.775 #kJ/mol + # Enthalpy of formation: -1682.9 #kJ/mol #03GUI/FAN + -analytic -1.50179E+1 0E+0 1.97312E+3 0E+0 0E+0 +Am(CO3)2Na:5H2O(s) +Am(CO3)2Na:5H2O = 1.000Na+ + 1.000Am+3 + 2.000CO3-2 + 5.000H2O + log_k -21.000 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0 Am(OH)3(am) -Am(OH)3 = -3.000H+ +1.000Am+3 +3.000H2O - log_k 16.9 #03GUI/FAN, 83RAI/STR, 83EDE/BUC, 85NIT/EDE - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol - +Am(OH)3 = - 3.000H+ + 1.000Am+3 + 3.000H2O + log_k 16.900 #03GUI/FAN, 83RAI/STR, 83EDE/BUC, 85NIT/EDE + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.69E+1 0E+0 0E+0 0E+0 0E+0 Am(OH)3(cr) -Am(OH)3 = -3.000H+ +1.000Am+3 +3.000H2O - log_k 15.6 #03GUI/FAN, 82SIL, 88STA/KIM - delta_h -120.992 kJ/mol # - # Enthalpy of formation: -1353.2 kJ/mol - +Am(OH)3 = - 3.000H+ + 1.000Am+3 + 3.000H2O + log_k 15.600 #03GUI/FAN, 82SIL, 88STA/KIM + delta_h -120.992 #kJ/mol + # Enthalpy of formation: -1353.2 #kJ/mol + -analytic -5.59686E+0 0E+0 6.31984E+3 0E+0 0E+0 Am(PO4):xH2O(am) -Am(PO4) = -2.000H+ +1.000Am+3 +1.000H2(PO4)- - log_k -5.23 #95SIL/BID - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol +Am(PO4) = - 2.000H+ + 1.000Am+3 + 1.000H2(PO4)- + log_k -5.230 #95SIL/BID + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.23E+0 0E+0 0E+0 0E+0 0E+0 +Am(cr) +Am = 1.000Am+3 + 1.500H2O - 3.000H+ - 0.750O2 + log_k 169.375 + delta_h -1036.345 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #95SIL/BID + -analytic -1.21845E+1 0E+0 5.4132E+4 0E+0 0E+0 -Ra(OH)2(s) -Ra(OH)2 = -2.000H+ +1.000Ra+2 +2.000H2O - log_k 30.99 # - delta_h -149.763 kJ/mol # - # Enthalpy of formation: -949.923 kJ/mol +Am2(CO3)3(cr) +Am2(CO3)3 = 2.000Am+3 + 3.000CO3-2 + log_k -33.400 #95SIL/BID + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.34E+1 0E+0 0E+0 0E+0 0E+0 +Am2O3(cr) +Am2O3 = - 6.000H+ + 2.000Am+3 + 3.000H2O + log_k 53.150 + delta_h -400.490 #kJ/mol + # Enthalpy of formation: -1690.4 #kJ/mol #95SIL/BID + -analytic -1.70127E+1 0E+0 2.0919E+4 0E+0 0E+0 -Ra(CO3)(s) -Ra(CO3) = +1.000Ra+2 +1.000CO3-2 - log_k -8.3 #85LAN/RIE - delta_h 13.39 kJ/mol # - # Enthalpy of formation: -1216.646 kJ/mol +AmBr3(cr) +AmBr3 = 1.000Am+3 + 3.000Br- + log_k 23.930 + delta_h -176.930 #kJ/mol + # Enthalpy of formation: -804 #kJ/mol #03GUI/FAN + -analytic -7.06676E+0 0E+0 9.24168E+3 0E+0 0E+0 +AmCl3(cr) +AmCl3 = 1.000Am+3 + 3.000Cl- + log_k 15.280 + delta_h -140.140 #kJ/mol + # Enthalpy of formation: -977.8 #kJ/mol #95SIL/BID + -analytic -9.27144E+0 0E+0 7.32001E+3 0E+0 0E+0 -Hausmannite -Mn3O4 = +3.000Mn+2 -8.000H+ -2.000e- +4.000H2O - log_k 61.32 #96FAL/REA - #delta_h kJ/mol # - # Enthalpy of formation: kJ/mol +AmCl6Cs2Na(cr) +AmCl6Cs2Na = 1.000Na+ + 2.000Cs+ + 1.000Am+3 + 6.000Cl- + log_k 12.560 + delta_h -59.720 #kJ/mol + # Enthalpy of formation: -2315.8 #kJ/mol #03GUI/FAN + -analytic 2.09752E+0 0E+0 3.11939E+3 0E+0 0E+0 +AmF3(cr) +AmF3 = 1.000Am+3 + 3.000F- + log_k -13.400 + delta_h -28.750 #kJ/mol + # Enthalpy of formation: -1594 #kJ/mol #03GUI/FAN + -analytic -1.84368E+1 0E+0 1.50171E+3 0E+0 0E+0 -SiO2(am) -SiO2 = +1.000H4(SiO4) -2.000H2O - log_k -2.71 #00GUN/ARN - delta_h 13.522 kJ/mol # - # Enthalpy of formation: -903.056 kJ/mol +AmI3(cr) +AmI3 = 1.000Am+3 + 3.000I- + log_k 25.300 + delta_h -172.040 #kJ/mol + # Enthalpy of formation: -615 #kJ/mol #03GUI/FAN + -analytic -4.84007E+0 0E+0 8.98626E+3 0E+0 0E+0 +AmO2(cr) +AmO2 = - 3.000H+ + 1.000Am+3 + 1.500H2O + 0.250O2 + log_k 12.715 + delta_h -116.279 #kJ/mol + # Enthalpy of formation: -932.2 #kJ/mol #95SIL/BID + -analytic -7.65609E+0 0E+0 6.07364E+3 0E+0 0E+0 + +AmO2OH(am) +AmO2OH = - 1.000H+ + 1.000AmO2+ + 1.000H2O + log_k 5.300 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.3E+0 0E+0 0E+0 0E+0 0E+0 + +AmOBr(cr) +AmOBr = - 2.000H+ + 1.000Am+3 + 1.000Br- + 1.000H2O + log_k 15.980 + delta_h -136.940 #kJ/mol + # Enthalpy of formation: -887 #kJ/mol #03GUI/FAN + -analytic -8.01082E+0 0E+0 7.15286E+3 0E+0 0E+0 + +AmOCl(cr) +AmOCl = - 2.000H+ + 1.000Am+3 + 1.000Cl- + 1.000H2O + log_k 12.260 + delta_h -119.810 #kJ/mol + # Enthalpy of formation: -949.8 #kJ/mol #95SIL/BID + -analytic -8.72978E+0 0E+0 6.2581E+3 0E+0 0E+0 + +Amesite +Mg4Al4Si2O10(OH)8 = 4.000Mg+2 + 4.000Al+3 - 20.000H+ + 2.000H4(SiO4) + 10.000H2O + log_k 69.420 + delta_h -766.388 #kJ/mol + # Enthalpy of formation: -9035.9 #kJ/mol #05VID/PAR + -analytic -6.48452E+1 0E+0 4.00312E+4 0E+0 0E+0 + +Amesite-Fe +Fe4Al4Si2O10(OH)8 = 4.000Fe+2 + 4.000Al+3 - 20.000H+ + 2.000H4(SiO4) + 10.000H2O + log_k 57.040 + delta_h -686.828 #kJ/mol + # Enthalpy of formation: -7607.46 #kJ/mol #05VID/VIE + -analytic -6.32869E+1 0E+0 3.58755E+4 0E+0 0E+0 + +Analcime +Na0.99Al0.99Si2.01O6:H2O = 0.990Na+ + 0.990Al+3 - 3.960H+ + 2.010H4(SiO4) - 1.040H2O + log_k 6.650 + delta_h -102.689 #kJ/mol + # Enthalpy of formation: -3308 #kJ/mol #04NEU/HOV + -analytic -1.13403E+1 0E+0 5.36381E+3 0E+0 0E+0 + +Anapaite +Ca2Fe(PO4)2:4H2O = 2.000Ca+2 + 1.000Fe+2 - 4.000H+ + 2.000H2(PO4)- + 4.000H2O + log_k 5.020 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.02E+0 0E+0 0E+0 0E+0 0E+0 + +Anglesite +Pb(SO4) = 1.000Pb+2 + 1.000SO4-2 + log_k -7.850 + delta_h 11.550 #kJ/mol + # Enthalpy of formation: -919.97 #kJ/mol #89COX/WAG + -analytic -5.82653E+0 0E+0 -6.03298E+2 0E+0 0E+0 + +Anhydrite +Ca(SO4) = 1.000Ca+2 + 1.000SO4-2 + log_k -4.440 + delta_h -17.940 #kJ/mol + # Enthalpy of formation: -1434.4 #kJ/mol #95ROB/HEM + -analytic -7.58295E+0 0E+0 9.3707E+2 0E+0 0E+0 + +Annite +KFe3Si3AlO10(OH)2 = 1.000K+ + 3.000Fe+2 + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4) + log_k 32.770 + delta_h -313.152 #kJ/mol + # Enthalpy of formation: -5130.97 #kJ/mol #95DAC/BEN + -analytic -2.20918E+1 0E+0 1.6357E+4 0E+0 0E+0 + +Anorthite +CaAl2Si2O8 = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 2.000H4(SiO4) + log_k 25.310 + delta_h -314.358 #kJ/mol + # Enthalpy of formation: -4227.83 #kJ/mol #99ARN/STE + -analytic -2.97631E+1 0E+0 1.642E+4 0E+0 0E+0 + +Antarcticite +CaCl2:6H2O = 1.000Ca+2 + 2.000Cl- + 6.000H2O + log_k 3.940 + delta_h 13.990 #kJ/mol + # Enthalpy of formation: -2606.13 #kJ/mol #87GAR/PAR + -analytic 6.39094E+0 0E+0 -7.30748E+2 0E+0 0E+0 + +Antigorite +Mg48Si34O85(OH)62 = 48.000Mg+2 - 96.000H+ + 34.000H4(SiO4) + 11.000H2O + log_k 500.160 + delta_h -3822.746 #kJ/mol + # Enthalpy of formation: -71417.98 #kJ/mol #98HOL/POL + -analytic -1.69555E+2 0E+0 1.99676E+5 0E+0 0E+0 + +Aragonite +CaCO3 = 1.000Ca+2 + 1.000CO3-2 + log_k -8.310 + delta_h -10.454 #kJ/mol + # Enthalpy of formation: -1207.776 #kJ/mol #87GAR/PAR + -analytic -1.01415E+1 0E+0 5.4605E+2 0E+0 0E+0 + +Arcanite +K2SO4 = 2.000K+ + 1.000SO4-2 + log_k -1.850 + delta_h 24.080 #kJ/mol + # Enthalpy of formation: -1437.7 #kJ/mol #95ROB/HEM + -analytic 2.36863E+0 0E+0 -1.25778E+3 0E+0 0E+0 + +Artinite +Mg2(CO3)(OH)2:3H2O = 2.000Mg+2 - 2.000H+ + 1.000CO3-2 + 5.000H2O + log_k 9.810 + delta_h -117.780 #kJ/mol + # Enthalpy of formation: -2920.6 #kJ/mol #73HEM/ROB + -analytic -1.08241E+1 0E+0 6.15207E+3 0E+0 0E+0 + +As(s) +As = 3.000H+ + 1.000AsO4-3 - 1.500H2O - 1.250O2 + log_k 54.885 + delta_h -444.228 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #10RAN/FUG + -analytic -2.29402E+1 0E+0 2.32036E+4 0E+0 0E+0 + +As2O5(s) +As2O5 = 6.000H+ + 2.000AsO4-3 - 3.000H2O + log_k -35.340 + delta_h 10.640 #kJ/mol + # Enthalpy of formation: -929.43 #kJ/mol #65BEE/MOR + -analytic -3.3476E+1 0E+0 -5.55765E+2 0E+0 0E+0 B(OH)3(cr) -B(OH)3 = +1.000H+ +1.000B(OH)4- -1.000H2O - log_k -9.31 # - delta_h 35.514 kJ/mol # - # Enthalpy of formation: -1094.8 kJ/mol 01LEM/FUG +B(OH)3 = 1.000H+ + 1.000B(OH)4- - 1.000H2O + log_k -9.310 + delta_h 35.514 #kJ/mol + # Enthalpy of formation: -1094.8 #kJ/mol #01LEM/FUG + -analytic -3.08822E+0 0E+0 -1.85502E+3 0E+0 0E+0 + +B(cr) +B = 1.000H+ + 1.000B(OH)4- - 2.500H2O - 0.750O2 + log_k 100.415 + delta_h -621.441 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG + -analytic -8.45654E+0 0E+0 3.24601E+4 0E+0 0E+0 + +B2O3(am) +B2O3 = 2.000H+ + 2.000B(OH)4- - 5.000H2O + log_k -10.630 + delta_h -6.711 #kJ/mol + # Enthalpy of formation: -1254.371 #kJ/mol + -analytic -1.18057E+1 0E+0 3.50539E+2 0E+0 0E+0 + +B2O3(cr) +B2O3 = 2.000H+ + 2.000B(OH)4- - 5.000H2O + log_k -12.740 + delta_h 12.418 #kJ/mol + # Enthalpy of formation: -1273.5 #kJ/mol #01LEM/FUG + -analytic -1.05645E+1 0E+0 -6.48636E+2 0E+0 0E+0 + +Ba(OH)2:8H2O(cr) +Ba(OH)2:8H2O = 1.000Ba+2 - 2.000H+ + 10.000H2O + log_k 23.870 + delta_h -52.509 #kJ/mol + # Enthalpy of formation: -3340.591 #kJ/mol + -analytic 1.46708E+1 0E+0 2.74273E+3 0E+0 0E+0 + +Ba(SeO3)(s) +Ba(SeO3) = 1.000Ba+2 + 1.000SeO3-2 + log_k -6.500 #05OLI/NOL + delta_h -5.260 #kJ/mol + # Enthalpy of formation: -1036.7 #kJ/mol #05OLI/NOL + -analytic -7.42151E+0 0E+0 2.74749E+2 0E+0 0E+0 + +Ba(SeO4)(cr) +Ba(SeO4) = 1.000Ba+2 + 1.000SeO4-2 + log_k -7.560 #05OLI/NOL + delta_h 5.700 #kJ/mol + # Enthalpy of formation: -1144 #kJ/mol #05OLI/NOL + -analytic -6.5614E+0 0E+0 -2.97731E+2 0E+0 0E+0 + +Ba(cr) +Ba = 1.000Ba+2 + 1.000H2O - 2.000H+ - 0.500O2 + log_k 140.690 + delta_h -814.563 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG + -analytic -2.0151E+0 0E+0 4.25475E+4 0E+0 0E+0 + +BaCl2(cr) +BaCl2 = 1.000Ba+2 + 2.000Cl- + log_k 2.300 + delta_h -13.760 #kJ/mol + # Enthalpy of formation: -855.2 #kJ/mol #95SIL/BID + -analytic -1.10645E-1 0E+0 7.18734E+2 0E+0 0E+0 + +BaCl2:2H2O(s) +BaCl2:2H2O = 1.000Ba+2 + 2.000Cl- + 2.000H2O + log_k -0.340 + delta_h 19.418 #kJ/mol + # Enthalpy of formation: -1460.038 #kJ/mol + -analytic 3.06188E+0 0E+0 -1.01427E+3 0E+0 0E+0 + +BaCl2:H2O(s) +BaCl2:H2O = 1.000Ba+2 + 2.000Cl- + 1.000H2O + log_k 0.280 + delta_h 5.746 #kJ/mol + # Enthalpy of formation: -1160.536 #kJ/mol + -analytic 1.28665E+0 0E+0 -3.00134E+2 0E+0 0E+0 + +BaF2(cr) +BaF2 = 1.000Ba+2 + 2.000F- + log_k -6.320 + delta_h 1.631 #kJ/mol + # Enthalpy of formation: -1207.131 #kJ/mol + -analytic -6.03426E+0 0E+0 -8.51929E+1 0E+0 0E+0 + +BaHPO4(s) +BaHPO4 = 1.000Ba+2 - 1.000H+ + 1.000H2(PO4)- + log_k -0.190 #66SPI/MIK in 76SMI/MAR + delta_h -22.800 #kJ/mol + # Enthalpy of formation: -1814.6 #kJ/mol #82WAG/EVA + -analytic -4.18438E+0 0E+0 1.19093E+3 0E+0 0E+0 + +BaMoO4(s) +BaMoO4 = 1.000Ba+2 + 1.000MoO4-2 + log_k -7.830 + delta_h 13.822 #kJ/mol + # Enthalpy of formation: -1545.622 #kJ/mol + -analytic -5.40849E+0 0E+0 -7.21972E+2 0E+0 0E+0 + +BaO(cr) +BaO = 1.000Ba+2 - 2.000H+ + 1.000H2O + log_k 48.070 + delta_h -272.530 #kJ/mol + # Enthalpy of formation: -548.1 #kJ/mol #95SIL/BID + -analytic 3.24864E-1 0E+0 1.42352E+4 0E+0 0E+0 + +BaS(s) +BaS = 1.000Ba+2 - 1.000H+ + 1.000HS- + log_k 15.660 + delta_h -90.248 #kJ/mol + # Enthalpy of formation: -460.852 #kJ/mol + -analytic -1.50748E-1 0E+0 4.71397E+3 0E+0 0E+0 + +Barite +Ba(SO4) = 1.000Ba+2 + 1.000SO4-2 + log_k -9.970 #85LAN/MEL in 90NOR/PLU + delta_h 26.460 #kJ/mol #85LAN/MEL in 90NOR/PLU + # Enthalpy of formation: -1470.6 #kJ/mol + -analytic -5.33441E+0 0E+0 -1.3821E+3 0E+0 0E+0 + +Bassanite +CaSO4:0.5H2O = 1.000Ca+2 + 1.000SO4-2 + 0.500H2O + log_k -3.920 #06BLA/PIA + delta_h -17.358 #kJ/mol + # Enthalpy of formation: -1577.897 #kJ/mol + -analytic -6.96099E+0 0E+0 9.0667E+2 0E+0 0E+0 + +Bassetite +Fe(UO2)2(PO4)2 = 1.000Fe+2 + 2.000UO2+2 - 4.000H+ + 2.000H2(PO4)- + log_k -1.070 #65MUT/HIR + delta_h -36.464 #kJ/mol + # Enthalpy of formation: -8996.928 #kJ/mol + -analytic -7.45821E+0 0E+0 1.90464E+3 0E+0 0E+0 + +Becquerelite(nat) +Ca(UO2)6O4(OH)6:8H2O = 1.000Ca+2 + 6.000UO2+2 - 14.000H+ + 18.000H2O + log_k 29.000 #97CAS/BRU + delta_h -378.310 #kJ/mol + # Enthalpy of formation: -11423.63 #kJ/mol #99CHE/EWI + -analytic -3.7277E+1 0E+0 1.97605E+4 0E+0 0E+0 + +Becquerelite(syn) +Ca(UO2)6O4(OH)6:8H2O = 1.000Ca+2 + 6.000UO2+2 - 14.000H+ + 18.000H2O + log_k 40.500 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.05E+1 0E+0 0E+0 0E+0 0E+0 + +Beidellite-Ca +Ca0.17Al2.34Si3.66O10(OH)2 = 0.170Ca+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O + log_k 4.930 + delta_h -201.995 #kJ/mol + # Enthalpy of formation: -5743.55 #kJ/mol #13BLA/VIE + -analytic -3.0458E+1 0E+0 1.05509E+4 0E+0 0E+0 + +Beidellite-K +K0.34Al2.34Si3.66O10(OH)2 = 0.340K+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O + log_k 2.660 + delta_h -177.652 #kJ/mol + # Enthalpy of formation: -5761.31 #kJ/mol #13BLA/VIE + -analytic -2.84632E+1 0E+0 9.2794E+3 0E+0 0E+0 + +Beidellite-Mg +Mg0.17Al2.34Si3.66O10(OH)2 = 0.170Mg+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O + log_k 5.130 + delta_h -201.865 #kJ/mol + # Enthalpy of formation: -5730.76 #kJ/mol #13BLA/VIE + -analytic -3.02352E+1 0E+0 1.05441E+4 0E+0 0E+0 + +Beidellite-Na +Na0.34Al2.34Si3.66O10(OH)2 = 0.340Na+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O + log_k 3.370 + delta_h -187.490 #kJ/mol + # Enthalpy of formation: -5747.46 #kJ/mol #13BLA/VIE + -analytic -2.94768E+1 0E+0 9.79327E+3 0E+0 0E+0 + +Beidellite_SBld-1 +Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 = 0.185Ca+2 + 0.090Mg+2 + 0.104K+ + 0.112Fe+3 + 2.238Al+3 - 7.704H+ + 3.574H4(SiO4) - 2.296H2O + log_k 7.590 + delta_h -224.486 #kJ/mol + # Enthalpy of formation: -5720.69 #kJ/mol #12GAI/BLA + -analytic -3.17382E+1 0E+0 1.17257E+4 0E+0 0E+0 + +Beidellite_SBld-1(4.576H2O) +Ca0.185K0.104Si3.574Al2.238Mg0.090Fe0.112O10(OH)2:4.576H2O = 0.185Ca+2 + 0.090Mg+2 + 0.104K+ + 0.112Fe+3 + 2.238Al+3 - 7.704H+ + 3.574H4(SiO4) + 2.280H2O + log_k 4.290 + delta_h -193.685 #kJ/mol + # Enthalpy of formation: -7059.45 #kJ/mol #12GAI/BLA + -analytic -2.96421E+1 0E+0 1.01169E+4 0E+0 0E+0 + +Berlinite +Al(PO4) = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)- + log_k -0.570 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.7E-1 0E+0 0E+0 0E+0 0E+0 + +Berndtite +SnS2 = 1.000Sn+4 - 2.000H+ + 2.000HS- + log_k -37.560 + delta_h 87.401 #kJ/mol + # Enthalpy of formation: -151.5 #kJ/mol #12GAJ/SAN + -analytic -2.2248E+1 0E+0 -4.56527E+3 0E+0 0E+0 + +Berthierine(FeII) +(Fe2Al)(SiAl)O5(OH)4 = 2.000Al+3 + 1.000H4(SiO4) + 2.000Fe+2 + 5.000H2O - 10.000H+ + log_k 33.290 + delta_h -369.354 #kJ/mol + # Enthalpy of formation: -3777.79 #kJ/mol #13BLA/VIE + -analytic -3.14179E+1 0E+0 1.92927E+4 0E+0 0E+0 + +Berthierine(FeIII) +(Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 = 0.330Fe+3 + 2.340Fe+2 + 0.990Al+3 - 8.640H+ + 1.340H4(SiO4) + 3.640H2O + log_k 29.290 + delta_h -301.967 #kJ/mol + # Enthalpy of formation: -3456.24 #kJ/mol #13BLA/VIE + -analytic -2.36123E+1 0E+0 1.57728E+4 0E+0 0E+0 + +Berthierine_ISGS +(Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 = 0.157Mg+2 + 0.182Fe+3 + 1.644Al+3 + 1.332H4(SiO4) + 1.440Fe+2 + 3.672H2O - 8.672H+ + log_k 27.930 + delta_h -318.385 #kJ/mol + # Enthalpy of formation: -3774.46 #kJ/mol #13BLA/GAI + -analytic -2.78486E+1 0E+0 1.66304E+4 0E+0 0E+0 + +Berthierine_Lorraine +Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 = 0.370Mg+2 + 0.936Fe+3 + 0.608Fe+2 + 1.052Al+3 - 7.920H+ + 1.520H4(SiO4) + 2.920H2O + log_k 1.030 + delta_h -162.510 #kJ/mol + # Enthalpy of formation: -3732.9 #kJ/mol #08GAI + -analytic -2.74405E+1 0E+0 8.48848E+3 0E+0 0E+0 + +Bieberite +CoSO4:7H2O = 1.000Co+2 + 1.000SO4-2 + 7.000H2O + log_k -2.350 + delta_h 11.840 #kJ/mol + # Enthalpy of formation: -2979.59 #kJ/mol #74NAU/RYZ + -analytic -2.75724E-1 0E+0 -6.18445E+2 0E+0 0E+0 + +Bischofite +MgCl2:6H2O = 1.000Mg+2 + 2.000Cl- + 6.000H2O + log_k 4.460 #84HAR/MOL + delta_h -8.710 #kJ/mol + # Enthalpy of formation: -2507.43 #kJ/mol + -analytic 2.93408E+0 0E+0 4.54954E+2 0E+0 0E+0 + +Bloedite +Na2Mg(SO4)2:4H2O = 1.000Mg+2 + 2.000Na+ + 2.000SO4-2 + 4.000H2O + log_k -2.350 #84HAR/MOL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.35E+0 0E+0 0E+0 0E+0 0E+0 + +Boehmite +AlO(OH) = 1.000Al+3 - 3.000H+ + 2.000H2O + log_k 7.620 + delta_h -113.660 #kJ/mol + # Enthalpy of formation: -996.4 #kJ/mol #95ROB/HEM + -analytic -1.22923E+1 0E+0 5.93687E+3 0E+0 0E+0 + +Brucite +Mg(OH)2 = 1.000Mg+2 - 2.000H+ + 2.000H2O + log_k 17.100 #03ALT/MET + delta_h -114.160 #kJ/mol + # Enthalpy of formation: -924.5 #kJ/mol #95ROB/HEM + -analytic -2.89994E+0 0E+0 5.96298E+3 0E+0 0E+0 + +Brushite +Ca(HPO4):2H2O = 1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- + 2.000H2O + log_k 0.600 #84NAN + delta_h -7.375 #kJ/mol + # Enthalpy of formation: -2409.885 #kJ/mol + -analytic -6.92043E-1 0E+0 3.85223E+2 0E+0 0E+0 + +Bunsenite +NiO = 1.000Ni+2 - 2.000H+ + 1.000H2O + log_k 12.480 + delta_h -101.142 #kJ/mol + # Enthalpy of formation: -239.7 #kJ/mol #05GAM/BUG + -analytic -5.23929E+0 0E+0 5.28301E+3 0E+0 0E+0 + +Burkeite +Na6(CO3)(SO4)2 = 6.000Na+ + 1.000CO3-2 + 2.000SO4-2 + log_k -0.770 #84HAR/MOL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7.7E-1 0E+0 0E+0 0E+0 0E+0 + +C(cr) +C = 2.000H+ + 1.000CO3-2 - 1.000H2O - 1.000O2 + log_k 53.830 + delta_h -377.266 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #89COX/WAG + -analytic -1.22641E+1 0E+0 1.97059E+4 0E+0 0E+0 + +C2SH(alpha) +Ca2(HSiO4)(OH) = 2.000Ca+2 - 4.000H+ + 1.000H4(SiO4) + 1.000H2O + log_k 35.540 + delta_h -198.104 #kJ/mol + # Enthalpy of formation: -2634.92 #kJ/mol #10BLA/BOU + -analytic 8.3372E-1 0E+0 1.03477E+4 0E+0 0E+0 + +C3AH6 +Ca3Al2(OH)12 = 3.000Ca+2 + 2.000Al+3 - 12.000H+ + 12.000H2O + log_k 80.320 #10BLA/BOU + delta_h -584.260 #kJ/mol + # Enthalpy of formation: -5551.5 #kJ/mol #99SCH/NAV + -analytic -2.20378E+1 0E+0 3.0518E+4 0E+0 0E+0 + +C3FH6 +Ca3Fe2(OH)12 = 3.000Ca+2 + 2.000Fe+3 - 12.000H+ + 12.000H2O + log_k 72.390 + delta_h -509.370 #kJ/mol + # Enthalpy of formation: -4647.59 #kJ/mol #10BLA/BOU + -analytic -1.68477E+1 0E+0 2.66062E+4 0E+0 0E+0 + +C4AH13 +Ca4Al2(OH)14:6H2O = 4.000Ca+2 + 2.000Al+3 - 14.000H+ + 20.000H2O + log_k 103.650 #10BLA/BOU + delta_h -647.400 #kJ/mol + # Enthalpy of formation: -8318 #kJ/mol #76HOU/STE + -analytic -9.76944E+0 0E+0 3.3816E+4 0E+0 0E+0 + +C4FH13 +Ca4Fe2(OH)14:6H2O = 4.000Ca+2 + 2.000Fe+3 - 14.000H+ + 20.000H2O + log_k 95.160 + delta_h -569.200 #kJ/mol + # Enthalpy of formation: -7417.4 #kJ/mol #10BLA/BOU + -analytic -4.55941E+0 0E+0 2.97313E+4 0E+0 0E+0 + +CSH0.8 +Ca0.8SiO2.8:1.54H2O = 0.800Ca+2 - 1.600H+ + 1.000H4(SiO4) + 0.340H2O + log_k 11.050 #10BLA/BOU + delta_h -47.646 #kJ/mol + # Enthalpy of formation: -1945.13 #kJ/mol #10BLA/BOU + -analytic 2.70279E+0 0E+0 2.48872E+3 0E+0 0E+0 + +CSH1.2 +Ca1.2SiO3.2:2.06H2O = 1.200Ca+2 - 2.400H+ + 1.000H4(SiO4) + 1.260H2O + log_k 19.300 #10BLA/BOU + delta_h -88.600 #kJ/mol + # Enthalpy of formation: -2384.34 #kJ/mol #10BLA/BOU + -analytic 3.77797E+0 0E+0 4.62789E+3 0E+0 0E+0 + +CSH1.6 +Ca1.6SiO3.6:2.58H2O = 1.600Ca+2 - 3.200H+ + 1.000H4(SiO4) + 2.180H2O + log_k 28.000 #10BLA/BOU + delta_h -133.313 #kJ/mol + # Enthalpy of formation: -2819.79 #kJ/mol #10BLA/BOU + -analytic 4.6446E+0 0E+0 6.96341E+3 0E+0 0E+0 + +Ca(Adipate)(s) +Ca(Adipate) = 1.000Ca+2 + 1.000Adipate-2 + log_k -3.300 #12GRI/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.3E+0 0E+0 0E+0 0E+0 0E+0 + +Ca(HGlu)2(s) +Ca(HGlu)2 = 1.000Ca+2 + 2.000HGlu- + log_k -4.190 #99VAN/GLA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.19E+0 0E+0 0E+0 0E+0 0E+0 + +Ca(HIsa)2(cr) +Ca(HIsa)2 = 1.000Ca+2 + 2.000HIsa- + log_k -6.400 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.4E+0 0E+0 0E+0 0E+0 0E+0 + +Ca(HPO4)(s) +Ca(HPO4) = 1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- + log_k 0.300 #84NAN + delta_h -24.098 #kJ/mol + # Enthalpy of formation: -1821.502 #kJ/mol + -analytic -3.92178E+0 0E+0 1.25872E+3 0E+0 0E+0 + +Ca(NO3)2(s) +Ca(NO3)2 = 1.000Ca+2 + 2.000NO3- + log_k 5.890 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.89E+0 0E+0 0E+0 0E+0 0E+0 + +Ca(Ox):2H2O(s) +Ca(Ox):2H2O = 1.000Ca+2 + 1.000Ox-2 + 2.000H2O + log_k -8.300 #05HUM/AND + delta_h 25.200 #kJ/mol + # Enthalpy of formation: -1970.52 #kJ/mol + -analytic -3.88516E+0 0E+0 -1.31629E+3 0E+0 0E+0 + +Ca(Ox):3H2O(s) +Ca(Ox):3H2O = 1.000Ca+2 + 1.000Ox-2 + 3.000H2O + log_k -8.190 #05HUM/AND + delta_h 29.700 #kJ/mol + # Enthalpy of formation: -2260.85 #kJ/mol + -analytic -2.98679E+0 0E+0 -1.55134E+3 0E+0 0E+0 + +Ca(Ox):H2O(s) +Ca(Ox):H2O = 1.000Ca+2 + 1.000Ox-2 + 1.000H2O + log_k -8.730 #05HUM/AND + delta_h 21.500 #kJ/mol + # Enthalpy of formation: -1680.99 #kJ/mol + -analytic -4.96337E+0 0E+0 -1.12302E+3 0E+0 0E+0 + +Ca(SO3)(s) +Ca(SO3) = 1.000Ca+2 + 1.000SO3-2 + log_k -6.500 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.5E+0 0E+0 0E+0 0E+0 0E+0 + +Ca(SeO3):H2O(s) +Ca(SeO3):H2O = 1.000Ca+2 + 1.000SeO3-2 + 1.000H2O + log_k -6.400 #05OLI/NOL + delta_h -11.190 #kJ/mol + # Enthalpy of formation: -1324.8 #kJ/mol #05OLI/NOL + -analytic -8.3604E+0 0E+0 5.84494E+2 0E+0 0E+0 + +Ca(SeO4):2H2O(s) +Ca(SeO4):2H2O = 1.000Ca+2 + 1.000SeO4-2 + 2.000H2O + log_k -2.680 #05OLI/NOL + delta_h -9.160 #kJ/mol + # Enthalpy of formation: -1709 #kJ/mol #05OLI/NOL + -analytic -4.28476E+0 0E+0 4.78459E+2 0E+0 0E+0 + +Ca(s) +Ca = 1.000Ca+2 + 1.000H2O - 2.000H+ - 0.500O2 + log_k 139.840 + delta_h -822.763 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #89COX/WAG + -analytic -4.30168E+0 0E+0 4.29758E+4 0E+0 0E+0 + +Ca2(Pyrophos)(s) +Ca2(Pyrophos) = 2.000Ca+2 + 1.000Pyrophos-4 + log_k -15.500 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.55E+1 0E+0 0E+0 0E+0 0E+0 + +Ca2Cl2(OH)2:H2O(s) +Ca2Cl2(OH)2:H2O = 2.000Ca+2 - 2.000H+ + 2.000Cl- + 3.000H2O + log_k 26.530 #84HAR/MOL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.653E+1 0E+0 0E+0 0E+0 0E+0 + +Ca2Fe2O5(s) +Ca2Fe2O5 = 2.000Ca+2 + 2.000Fe+3 - 10.000H+ + 5.000H2O + log_k 56.760 + delta_h -473.870 #kJ/mol + # Enthalpy of formation: -2138.3 #kJ/mol + -analytic -2.62583E+1 0E+0 2.47519E+4 0E+0 0E+0 + +Ca2ZrSi3O12(cr) +Ca2ZrSi3O12 = 2.000Ca+2 - 8.000H+ + 3.000H4(SiO4) + 1.000Zr+4 - 2.000H2O + 1.000O2 + log_k -154.250 + delta_h 764.444 #kJ/mol + # Enthalpy of formation: -6283 #kJ/mol #05BRO/CUR + -analytic -2.03254E+1 0E+0 -3.99296E+4 0E+0 0E+0 + +Ca3(AsO4)2:xH2O +Ca3(AsO4)2 = 3.000Ca+2 + 2.000AsO4-3 + log_k -21.000 #11GRI/COL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0 + +Ca3(Cit)2:4H2O(s) +Ca3(Cit)2:4H2O = 3.000Ca+2 + 2.000Cit-3 + 4.000H2O + log_k -17.900 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.79E+1 0E+0 0E+0 0E+0 0E+0 + +Ca3(PO4)2(alfa) +Ca3(PO4)2 = 3.000Ca+2 - 4.000H+ + 2.000H2(PO4)- + log_k 10.220 #84NAN + delta_h -125.300 #kJ/mol + # Enthalpy of formation: -4108.9 #kJ/mol + -analytic -1.17316E+1 0E+0 6.54487E+3 0E+0 0E+0 + +Ca3B2O6(s) +Ca3B2O6 = 3.000Ca+2 - 4.000H+ + 2.000B(OH)4- - 2.000H2O + log_k 40.580 + delta_h -318.306 #kJ/mol + # Enthalpy of formation: -3429.266 #kJ/mol + -analytic -1.51847E+1 0E+0 1.66263E+4 0E+0 0E+0 + +Ca3ZrSi2O9(cr) +Ca3ZrSi2O9 = 3.000Ca+2 - 10.000H+ + 2.000H4(SiO4) + 1.000Zr+4 + 1.000H2O + log_k 47.870 + delta_h -416.718 #kJ/mol + # Enthalpy of formation: -5029 #kJ/mol #05BRO/CUR + -analytic -2.51358E+1 0E+0 2.17667E+4 0E+0 0E+0 + +Ca4Al2O6(CrO4):15H2O(s) +Ca4Al2O6(CrO4):15H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000CrO4-2 + 21.000H2O + log_k 71.360 #01PER/PAL + delta_h -545.980 #kJ/mol #01PER/PAL + # Enthalpy of formation: -9584.25 #kJ/mol + -analytic -2.42914E+1 0E+0 2.85185E+4 0E+0 0E+0 + +Ca4Cl2(OH)6:13H2O(s) +Ca4Cl2(OH)6:13H2O = 4.000Ca+2 - 6.000H+ + 2.000Cl- + 19.000H2O + log_k 68.730 #84HAR/MOL + delta_h -271.930 #kJ/mol + # Enthalpy of formation: -7665 #kJ/mol #82WAG/EVA + -analytic 2.109E+1 0E+0 1.42039E+4 0E+0 0E+0 + +Ca4H(PO4)3:2.5H2O(s) +Ca4H(PO4)3:2.5H2O = 4.000Ca+2 - 5.000H+ + 3.000H2(PO4)- + 2.500H2O + log_k 11.810 #84NAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.181E+1 0E+0 0E+0 0E+0 0E+0 + +Ca6(Al(OH)6)2(CrO4)3:26H2O(s) +Ca6(Al(OH)6)2(CrO4)3:26H2O = 6.000Ca+2 + 2.000Al+3 - 12.000H+ + 3.000CrO4-2 + 38.000H2O + log_k 60.280 #00PER/PAL + delta_h -509.590 #kJ/mol #00PER/PAL + # Enthalpy of formation: -17323.75 #kJ/mol + -analytic -2.89962E+1 0E+0 2.66177E+4 0E+0 0E+0 + +CaB2O4(s) +CaB2O4 = 1.000Ca+2 + 2.000B(OH)4- - 4.000H2O + log_k -2.180 + delta_h -58.908 #kJ/mol + # Enthalpy of formation: -2031.004 #kJ/mol + -analytic -1.25002E+1 0E+0 3.07697E+3 0E+0 0E+0 + +CaB4O7(s) +CaB4O7 = 1.000Ca+2 + 2.000H+ + 4.000B(OH)4- - 9.000H2O + log_k -23.440 + delta_h 9.373 #kJ/mol + # Enthalpy of formation: -3360.367 #kJ/mol + -analytic -2.17979E+1 0E+0 -4.89585E+2 0E+0 0E+0 + +CaCO3:H2O(s) +CaCO3:H2O = 1.000Ca+2 + 1.000CO3-2 + 1.000H2O + log_k -7.600 #73HUL/TUR + delta_h -5.770 #kJ/mol + # Enthalpy of formation: -1498.29 #kJ/mol #73HUL/TUR + -analytic -8.61086E+0 0E+0 3.01388E+2 0E+0 0E+0 + +CaCl2:2H2O(cr) +CaCl2:2H2O = 1.000Ca+2 + 2.000Cl- + 2.000H2O + log_k 7.950 + delta_h -44.790 #kJ/mol + # Enthalpy of formation: -1404.03 #kJ/mol #87GAR/PAR + -analytic 1.0314E-1 0E+0 2.33954E+3 0E+0 0E+0 + +CaCl2:4H2O(cr) +CaCl2:4H2O = 1.000Ca+2 + 2.000Cl- + 4.000H2O + log_k 5.350 + delta_h -11.310 #kJ/mol + # Enthalpy of formation: -2009.17 #kJ/mol #87GAR/PAR + -analytic 3.36858E+0 0E+0 5.90762E+2 0E+0 0E+0 + +CaCl2:H2O(s) +CaCl2:H2O = 1.000Ca+2 + 2.000Cl- + 1.000H2O + log_k 7.850 + delta_h -52.160 #kJ/mol + # Enthalpy of formation: -1110.83 #kJ/mol #87GAR/PAR + -analytic -1.28803E+0 0E+0 2.7245E+3 0E+0 0E+0 + +CaCrO4(s) +CaCrO4 = 1.000Ca+2 + 1.000CrO4-2 + log_k -3.150 #03DEA + delta_h -22.814 #kJ/mol + # Enthalpy of formation: -1399.186 #kJ/mol + -analytic -7.14684E+0 0E+0 1.19166E+3 0E+0 0E+0 + +CaF2:6H2O(s) +CaF2:6H2O = 1.000Ca+2 + 2.000F- + 6.000H2O + log_k -5.480 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.48E+0 0E+0 0E+0 0E+0 0E+0 + +CaFe2O4(s) +CaFe2O4 = 1.000Ca+2 + 2.000Fe+3 - 8.000H+ + 4.000H2O + log_k 21.240 #79ROB + delta_h -263.980 #kJ/mol + # Enthalpy of formation: -1520.34 #kJ/mol + -analytic -2.50072E+1 0E+0 1.37886E+4 0E+0 0E+0 + +CaI2(s) +CaI2 = 1.000Ca+2 + 2.000I- + log_k 22.500 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.25E+1 0E+0 0E+0 0E+0 0E+0 + +CaMg3(CO3)4(s) +CaMg3(CO3)4 = 1.000Ca+2 + 3.000Mg+2 + 4.000CO3-2 + log_k -30.810 # + delta_h -112.340 #kJ/mol + # Enthalpy of formation: -4532.58 #kJ/mol #73HEM/ROB + -analytic -5.04911E+1 0E+0 5.86792E+3 0E+0 0E+0 + +CaMoO4(s) +CaMoO4 = 1.000Ca+2 + 1.000MoO4-2 + log_k -7.900 + delta_h 1.424 #kJ/mol + # Enthalpy of formation: -1541.424 #kJ/mol + -analytic -7.65053E+0 0E+0 -7.43806E+1 0E+0 0E+0 + +CaO(cr) +CaO = 1.000Ca+2 - 2.000H+ + 1.000H2O + log_k 32.700 + delta_h -193.910 #kJ/mol + # Enthalpy of formation: -634.92 #kJ/mol #89COX/WAG + -analytic -1.27152E+0 0E+0 1.01286E+4 0E+0 0E+0 + +CaSn(OH)6(s) +CaSn(OH)6 = 1.000Ca+2 + 1.000Sn+4 - 6.000H+ + 6.000H2O + log_k -0.740 #Log K¿ estimated as the mean value of data in 00LOT/OCH (uncertainty to include both values) recalculated using values of Sn(OH)6-2 selected in this work + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7.4E-1 0E+0 0E+0 0E+0 0E+0 + +CaU2O7:3H2O(cr) +CaU2O7:3H2O = 1.000Ca+2 + 2.000UO2+2 - 6.000H+ + 6.000H2O + log_k 23.400 #05ALT/NEC + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.34E+1 0E+0 0E+0 0E+0 0E+0 + +Cadmoselite +CdSe = 1.000Cd+2 - 1.000H+ + 1.000HSe- + log_k -18.680 + delta_h 81.480 #kJ/mol + # Enthalpy of formation: -143.1 #kJ/mol #05OLI/NOL + -analytic -4.40534E+0 0E+0 -4.25599E+3 0E+0 0E+0 + +Calcite +CaCO3 = 1.000Ca+2 + 1.000CO3-2 + log_k -8.480 #82PLUM/BUS + delta_h -10.620 #kJ/mol #82PLUM/BUS + # Enthalpy of formation: -1207.61 #kJ/mol + -analytic -1.03405E+1 0E+0 5.5472E+2 0E+0 0E+0 + +Carnallite +KMgCl3:6H2O = 1.000Mg+2 + 1.000K+ + 3.000Cl- + 6.000H2O + log_k 4.330 #84HAR/MOL + delta_h 9.339 #kJ/mol + # Enthalpy of formation: -2944.699 #kJ/mol #74NAU/RYZ + -analytic 5.96612E+0 0E+0 -4.87809E+2 0E+0 0E+0 + +Cassiterite +SnO2 = 1.000Sn+4 - 4.000H+ + 2.000H2O + log_k -15.600 + delta_h -25.529 #kJ/mol + # Enthalpy of formation: -577.63 #kJ/mol #12GAJ/SAN + -analytic -2.00725E+1 0E+0 1.33347E+3 0E+0 0E+0 + +Cattierite +CoS2 = 1.000Co+2 + 2.000HS- - 1.000H2O + 0.500O2 + log_k -62.970 + delta_h 340.463 #kJ/mol + # Enthalpy of formation: -150.9 #kJ/mol #95ROB/HEM + -analytic -3.32353E+0 0E+0 -1.77836E+4 0E+0 0E+0 + +Cd(CO3)(s) +Cd(CO3) = 1.000Cd+2 + 1.000CO3-2 + log_k -12.100 #91RAI/FEL + delta_h 1.482 #kJ/mol + # Enthalpy of formation: -752.632 #kJ/mol + -analytic -1.18404E+1 0E+0 -7.74101E+1 0E+0 0E+0 + +Cd(OH)2(s) +Cd(OH)2 = 1.000Cd+2 - 2.000H+ + 2.000H2O + log_k 13.860 #91RAI/FEL + delta_h -87.730 #kJ/mol + # Enthalpy of formation: -559.85 #kJ/mol + -analytic -1.50961E+0 0E+0 4.58245E+3 0E+0 0E+0 + +Cd(SO4)(cr) +Cd(SO4) = 1.000Cd+2 + 1.000SO4-2 + log_k -0.160 + delta_h -51.980 #kJ/mol + # Enthalpy of formation: -933.28 #kJ/mol #82WAG/EVA + -analytic -9.26649E+0 0E+0 2.7151E+3 0E+0 0E+0 + +Cd(SO4):2.67H2O(cr) +Cd(SO4):2.67H2O = 1.000Cd+2 + 1.000SO4-2 + 2.670H2O + log_k -1.550 + delta_h -20.126 #kJ/mol + # Enthalpy of formation: -1728.3 #kJ/mol #89COX/WAG + -analytic -5.07592E+0 0E+0 1.05125E+3 0E+0 0E+0 + +Cd(SeCn)2(cr) +Cd(SeCn)2 = 1.000Cd+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 + log_k -117.730 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.1773E+2 0E+0 0E+0 0E+0 0E+0 + +Cd(cr) +Cd = 1.000Cd+2 + 1.000H2O - 2.000H+ - 0.500O2 + log_k 56.610 + delta_h -355.683 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #89COX/WAG + -analytic -5.7029E+0 0E+0 1.85786E+4 0E+0 0E+0 + +Cd3(AsO4)2(s) +Cd3(AsO4)2 = 3.000Cd+2 + 2.000AsO4-3 + log_k -32.620 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.262E+1 0E+0 0E+0 0E+0 0E+0 + +Cd3(PO4)2(s) +Cd3(PO4)2 = 3.000Cd+2 - 4.000H+ + 2.000H2(PO4)- + log_k 8.970 + delta_h -206.960 #kJ/mol + # Enthalpy of formation: -2626 #kJ/mol #01BEN/JEM + -analytic -2.72878E+1 0E+0 1.08103E+4 0E+0 0E+0 + +Cd5(PO4)3Cl(cr) +Cd5(PO4)3Cl = 5.000Cd+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)- + log_k 12.670 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.267E+1 0E+0 0E+0 0E+0 0E+0 + +Cd5(PO4)3OH(cr) +Cd5(PO4)3OH = 5.000Cd+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O + log_k 19.840 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.984E+1 0E+0 0E+0 0E+0 0E+0 + +CdB2O4(s) +CdB2O4 = 1.000Cd+2 + 2.000B(OH)4- - 4.000H2O + log_k -8.640 #91BAL/NOR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -8.64E+0 0E+0 0E+0 0E+0 0E+0 + +CdCl2(s) +CdCl2 = 1.000Cd+2 + 2.000Cl- + log_k -0.660 + delta_h -18.580 #kJ/mol + # Enthalpy of formation: -391.5 #kJ/mol #74NAU/RYZ + -analytic -3.91507E+0 0E+0 9.705E+2 0E+0 0E+0 + +CdCl2:2.5H2O(s) +CdCl2:2.5H2O = 1.000Cd+2 + 2.000Cl- + 2.500H2O + log_k -1.900 + delta_h 7.285 #kJ/mol + # Enthalpy of formation: -1131.94 #kJ/mol #82WAG/EVA + -analytic -6.23725E-1 0E+0 -3.80521E+2 0E+0 0E+0 + +CdCl2:H2O(cr) +CdCl2:H2O = 1.000Cd+2 + 2.000Cl- + 1.000H2O + log_k -1.690 + delta_h -7.470 #kJ/mol + # Enthalpy of formation: -688.44 #kJ/mol #82WAG/EVA + -analytic -2.99869E+0 0E+0 3.90185E+2 0E+0 0E+0 + +CdO(s) +CdO = 1.000Cd+2 - 2.000H+ + 1.000H2O + log_k 15.100 + delta_h -103.400 #kJ/mol + # Enthalpy of formation: -258.35 #kJ/mol #89COX/WAG + -analytic -3.01488E+0 0E+0 5.40095E+3 0E+0 0E+0 + +CdS(s) +CdS = 1.000Cd+2 - 1.000H+ + 1.000HS- + log_k -14.820 #99WAN/TES + delta_h 56.570 #kJ/mol + # Enthalpy of formation: -148.79 #kJ/mol #06DEO/WAV + -analytic -4.90938E+0 0E+0 -2.95485E+3 0E+0 0E+0 + +CdSiO3(cr) +CdSiO3 = 1.000Cd+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O + log_k 7.790 + delta_h -62.194 #kJ/mol + # Enthalpy of formation: -1189.09 #kJ/mol #77BAR/KNA + -analytic -3.10591E+0 0E+0 3.24861E+3 0E+0 0E+0 + +Celadonite-Fe +KFeAlSi4O10(OH)2 = 1.000K+ + 1.000Fe+2 + 1.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O + log_k 10.220 + delta_h -103.866 #kJ/mol + # Enthalpy of formation: -5478.13 #kJ/mol #02 + -analytic -7.97652E+0 0E+0 5.42529E+3 0E+0 0E+0 + +Celadonite-Mg +KMgAlSi4O10(OH)2 = 1.000Mg+2 + 1.000K+ + 1.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O + log_k 10.220 + delta_h -124.256 #kJ/mol + # Enthalpy of formation: -5834.74 #kJ/mol #02PAR/VID + -analytic -1.15487E+1 0E+0 6.49033E+3 0E+0 0E+0 + +Celestite +Sr(SO4) = 1.000Sr+2 + 1.000SO4-2 + log_k -6.620 #06BLA/IGN + delta_h -2.451 #kJ/mol + # Enthalpy of formation: -1457.788 #kJ/mol + -analytic -7.0494E+0 0E+0 1.28024E+2 0E+0 0E+0 + +Cerussite +Pb(CO3) = 1.000Pb+2 + 1.000CO3-2 + log_k -13.290 + delta_h 27.414 #kJ/mol + # Enthalpy of formation: -701.723 #kJ/mol + -analytic -8.48728E+0 0E+0 -1.43193E+3 0E+0 0E+0 + +Chabazite +CaAl2Si4O12:6H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) + 2.000H2O + log_k 11.540 + delta_h -209.796 #kJ/mol + # Enthalpy of formation: -7826.44 #kJ/mol #09BLA + -analytic -2.52146E+1 0E+0 1.09584E+4 0E+0 0E+0 + +Chamosite +Fe5Al2Si3O10(OH)8 = 5.000Fe+2 + 2.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O + log_k 47.600 + delta_h -504.512 #kJ/mol + # Enthalpy of formation: -7120.85 #kJ/mol #05VID/VIE + -analytic -4.07866E+1 0E+0 2.63525E+4 0E+0 0E+0 + +Chloroapatite +Ca5Cl(PO4)3 = 5.000Ca+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)- + log_k 5.210 #68VAL/KOG + delta_h -132.541 #kJ/mol + # Enthalpy of formation: -6657.339 #kJ/mol + -analytic -1.80102E+1 0E+0 6.92309E+3 0E+0 0E+0 + +Chromite +FeCr2O4 = 1.000Fe+2 - 8.000H+ + 2.000Cr+3 + 4.000H2O + log_k 15.120 + delta_h -268.820 #kJ/mol + # Enthalpy of formation: -1445.5 #kJ/mol #95ROB/HEM + -analytic -3.19752E+1 0E+0 1.40414E+4 0E+0 0E+0 + +Clarkeite +Na(UO2)O(OH) = 1.000Na+ + 1.000UO2+2 - 3.000H+ + 2.000H2O + log_k 9.400 #08GOR/FEI + delta_h -106.300 #kJ/mol + # Enthalpy of formation: -1724.7 #kJ/mol #06KUB/HEL + -analytic -9.22293E+0 0E+0 5.55243E+3 0E+0 0E+0 + +Claudetite +As2O3 = - 3.000H2O + 2.000H3(AsO3) + log_k -1.460 + delta_h 28.240 #kJ/mol + # Enthalpy of formation: -655.15 #kJ/mol + -analytic 3.48743E+0 0E+0 -1.47508E+3 0E+0 0E+0 + +Clausthalite +PbSe = 1.000Pb+2 - 1.000H+ + 1.000HSe- + log_k -20.530 + delta_h 113.720 #kJ/mol + # Enthalpy of formation: -98.5 #kJ/mol #05OLI/NOL + -analytic -6.0714E-1 0E+0 -5.94E+3 0E+0 0E+0 + +Clinochlore +Mg5Al2Si3O10(OH)8 = 5.000Mg+2 + 2.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O + log_k 61.720 + delta_h -600.772 #kJ/mol + # Enthalpy of formation: -8909.59 #kJ/mol #05VID/VIE + -analytic -4.35306E+1 0E+0 3.13805E+4 0E+0 0E+0 + +Clinoptilolite_Ca +Ca0.55(Si4.9Al1.1)O12:3.9H2O = 0.550Ca+2 + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 3.700H2O + log_k -2.350 #09BLA + delta_h -68.512 #kJ/mol + # Enthalpy of formation: -6924.658 #kJ/mol + -analytic -1.43528E+1 0E+0 3.57863E+3 0E+0 0E+0 + +Clinoptilolite_K +K1.1(Si4.9Al1.1)O12:2.7H2O = 1.100K+ + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 4.900H2O + log_k -1.230 #09BLA + delta_h -60.128 #kJ/mol + # Enthalpy of formation: -6568.749 #kJ/mol + -analytic -1.1764E+1 0E+0 3.1407E+3 0E+0 0E+0 + +Clinoptilolite_Na +Na1.1(Si4.9Al1.1)O12:3.5H2O = 1.100Na+ + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 4.100H2O + log_k -0.090 #09BLA + delta_h -62.470 #kJ/mol + # Enthalpy of formation: -6782.091 #kJ/mol + -analytic -1.10343E+1 0E+0 3.26303E+3 0E+0 0E+0 + +Cm(CO3)(OH)(cr) +Cm(CO3)(OH) = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.000H2O + log_k -10.340 #estimated by correlation with Ln(III) and An(III) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.034E+1 0E+0 0E+0 0E+0 0E+0 + +Cm(CO3)(OH):0.5H2O(s) +Cm(CO3)(OH):0.5H2O = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.500H2O + log_k -7.780 #estimated by correlation with Ln(III) and An(III) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7.78E+0 0E+0 0E+0 0E+0 0E+0 + +Cm(OH)3(am) +Cm(OH)3 = - 3.000H+ + 1.000Cm+3 + 3.000H2O + log_k 17.900 #estimated from ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.79E+1 0E+0 0E+0 0E+0 0E+0 + +Cm(OH)3(cr) +Cm(OH)3 = - 3.000H+ + 1.000Cm+3 + 3.000H2O + log_k 15.600 #estimated from ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.56E+1 0E+0 0E+0 0E+0 0E+0 + +Cm(PO4):xH2O(s) +Cm(PO4) = - 2.000H+ + 1.000H2(PO4)- + 1.000Cm+3 + log_k -4.970 #estimated by correlation with Ln(III) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.97E+0 0E+0 0E+0 0E+0 0E+0 + +Cm(cr) +Cm = 1.000Cm+3 + 1.500H2O - 3.000H+ - 0.750O2 + log_k 168.795 #01KON + delta_h -1034.645 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol + -analytic -1.24667E+1 0E+0 5.40432E+4 0E+0 0E+0 + +Cm2(CO3)3(am) +Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 + log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 + +Cm2O3(cr) +Cm2O3 = - 6.000H+ + 2.000Cm+3 + 3.000H2O + log_k 53.100 + delta_h -403.490 #kJ/mol + # Enthalpy of formation: -1684 #kJ/mol #01KON + -analytic -1.75883E+1 0E+0 2.10757E+4 0E+0 0E+0 + +CmCl3(cr) +CmCl3 = 3.000Cl- + 1.000Cm+3 + log_k 15.070 + delta_h -141.840 #kJ/mol + # Enthalpy of formation: -974.4 #kJ/mol #85BAR/PAR + -analytic -9.77926E+0 0E+0 7.40881E+3 0E+0 0E+0 + +CmF3(cr) +CmF3 = 3.000F- + 1.000Cm+3 + log_k -13.160 + delta_h -32.036 #kJ/mol + # Enthalpy of formation: -1589.014 #kJ/mol #estimated by 97SVE/SHO equation + -analytic -1.87725E+1 0E+0 1.67335E+3 0E+0 0E+0 + +CmOCl(cr) +CmOCl = - 2.000H+ + 1.000Cl- + 1.000Cm+3 + 1.000H2O + log_k 9.490 + delta_h -104.710 #kJ/mol + # Enthalpy of formation: -963.2 #kJ/mol #85BAR/PAR + -analytic -8.85438E+0 0E+0 5.46938E+3 0E+0 0E+0 + +CmOHCO3(am) +CmOHCO3 = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.000H2O + log_k -6.120 #estimated in anlogy with Ln(III) and Am(III) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.12E+0 0E+0 0E+0 0E+0 0E+0 + +Co(FeO2)2(alpha) +Co(FeO2)2 = 2.000Fe+3 + 1.000Co+2 - 8.000H+ + 4.000H2O + log_k 0.770 + delta_h -159.200 #kJ/mol + # Enthalpy of formation: -1139.72 #kJ/mol #74NAU/RYZ + -analytic -2.71206E+1 0E+0 8.31558E+3 0E+0 0E+0 + +Co(OH)2(s,blue) +Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O + log_k 13.800 #98PLY/ZHA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0 + +Co(OH)2(s,rose1) +Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O + log_k 12.200 #98PLY/ZHA + delta_h -88.460 #kJ/mol + # Enthalpy of formation: -540.8 #kJ/mol #98PLY/ZHA + -analytic -3.2975E+0 0E+0 4.62058E+3 0E+0 0E+0 + +Co(OH)2(s,rose2) +Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O + log_k 13.200 #98PLY/ZHA + delta_h -93.560 #kJ/mol + # Enthalpy of formation: -535.7 #kJ/mol #98PLY/ZHA + -analytic -3.19098E+0 0E+0 4.88697E+3 0E+0 0E+0 + +Co(SeO3):2H2O(s) +Co(SeO3):2H2O = 1.000Co+2 + 1.000SeO3-2 + 2.000H2O + log_k -7.900 #05OLI/NOL + delta_h -20.860 #kJ/mol + # Enthalpy of formation: -1115.56 #kJ/mol #05OLI/NOL + -analytic -1.15545E+1 0E+0 1.08959E+3 0E+0 0E+0 + +Co(SeO4):6H2O(s) +Co(SeO4):6H2O = 1.000Co+2 + 1.000SeO4-2 + 6.000H2O + log_k -1.760 #05OLI/NOL + delta_h -3.299 #kJ/mol + # Enthalpy of formation: -2372.781 #kJ/mol + -analytic -2.33796E+0 0E+0 1.72319E+2 0E+0 0E+0 + +Co(cr) +Co = 1.000Co+2 + 1.000H2O - 2.000H+ - 0.500O2 + log_k 52.730 + delta_h -337.363 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol + -analytic -6.37337E+0 0E+0 1.76217E+4 0E+0 0E+0 + +Co0.84Se(cr) +Co0.84Se = 0.840Co+2 - 0.680H+ + 1.000HSe- - 0.160H2O + 0.080O2 + log_k -16.178 + delta_h 66.078 #kJ/mol + # Enthalpy of formation: -55.4 #kJ/mol #05OLI/NOL + -analytic -4.60203E+0 0E+0 -3.45149E+3 0E+0 0E+0 + +Co2SiO4(s) +Co2SiO4 = 2.000Co+2 - 4.000H+ + 1.000H4(SiO4) + log_k 7.350 + delta_h -99.394 #kJ/mol + # Enthalpy of formation: -1477 #kJ/mol #82WAG/EVA + -analytic -1.00631E+1 0E+0 5.1917E+3 0E+0 0E+0 + +Co3(AsO4)2(s) +Co3(AsO4)2 = 3.000Co+2 + 2.000AsO4-3 + log_k -27.560 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.756E+1 0E+0 0E+0 0E+0 0E+0 + +Co3(PO4)2(s) +Co3(PO4)2 = 3.000Co+2 - 4.000H+ + 2.000H2(PO4)- + log_k 4.360 #84VIE/TAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.36E+0 0E+0 0E+0 0E+0 0E+0 + +Co3O4(s) +Co3O4 = 3.000Co+2 - 6.000H+ + 3.000H2O + 0.500O2 + log_k 11.870 + delta_h -117.537 #kJ/mol + # Enthalpy of formation: -918.8 #kJ/mol #95ROB/HEM + -analytic -8.72157E+0 0E+0 6.13938E+3 0E+0 0E+0 + +CoCl2(s) +CoCl2 = 1.000Co+2 + 2.000Cl- + log_k 8.470 + delta_h -79.220 #kJ/mol + # Enthalpy of formation: -312.54 #kJ/mol #98CHA + -analytic -5.40873E+0 0E+0 4.13794E+3 0E+0 0E+0 + +CoCl2:6H2O(s) +CoCl2:6H2O = 1.000Co+2 + 2.000Cl- + 6.000H2O + log_k 2.540 #97MAR/SMI + delta_h 8.060 #kJ/mol #97MAR/SMI + # Enthalpy of formation: -2114.8 #kJ/mol + -analytic 3.95205E+0 0E+0 -4.21003E+2 0E+0 0E+0 + +CoF2(s) +CoF2 = 1.000Co+2 + 2.000F- + log_k -1.390 + delta_h -56.770 #kJ/mol + # Enthalpy of formation: -671.53 #kJ/mol #98CHA + -analytic -1.13357E+1 0E+0 2.9653E+3 0E+0 0E+0 + +CoHPO4(s) +CoHPO4 = 1.000Co+2 - 1.000H+ + 1.000H2(PO4)- + log_k 0.490 #84VIE/TAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.9E-1 0E+0 0E+0 0E+0 0E+0 + +CoO(s) +CoO = 1.000Co+2 - 2.000H+ + 1.000H2O + log_k 13.770 + delta_h -105.530 #kJ/mol + # Enthalpy of formation: -237.9 #kJ/mol #95ROB/HEM + -analytic -4.71804E+0 0E+0 5.51221E+3 0E+0 0E+0 + +CoS(alpha) +CoS = 1.000Co+2 - 1.000H+ + 1.000HS- + log_k -7.440 #90DYR/KRE + delta_h 11.836 #kJ/mol + # Enthalpy of formation: -85.736 #kJ/mol + -analytic -5.36642E+0 0E+0 -6.18236E+2 0E+0 0E+0 + +CoS(beta) +CoS = 1.000Co+2 - 1.000H+ + 1.000HS- + log_k -11.070 #90DYR/KRE + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.107E+1 0E+0 0E+0 0E+0 0E+0 + +CoSO4(s) +CoSO4 = 1.000Co+2 + 1.000SO4-2 + log_k 3.010 + delta_h -78.680 #kJ/mol + # Enthalpy of formation: -888.26 #kJ/mol #98CHA + -analytic -1.07741E+1 0E+0 4.10974E+3 0E+0 0E+0 + +CoSO4:6H2O(s) +CoSO4:6H2O = 1.000Co+2 + 1.000SO4-2 + 6.000H2O + log_k -2.200 + delta_h 1.570 #kJ/mol + # Enthalpy of formation: -2683.49 #kJ/mol #74NAU/RYZ + -analytic -1.92495E+0 0E+0 -8.20067E+1 0E+0 0E+0 + +CoSO4:H2O(s) +CoSO4:H2O = 1.000Co+2 + 1.000SO4-2 + 1.000H2O + log_k -1.050 + delta_h -52.050 #kJ/mol + # Enthalpy of formation: -1200.72 #kJ/mol #74NAU/RYZ + -analytic -1.01688E+1 0E+0 2.71876E+3 0E+0 0E+0 + +CoSe2(cr) +CoSe2 = 1.000Co+2 + 2.000HSe- - 1.000H2O + 0.500O2 + log_k -66.080 + delta_h 356.263 #kJ/mol + # Enthalpy of formation: -105.5 #kJ/mol #05OLI/NOL + -analytic -3.66549E+0 0E+0 -1.86089E+4 0E+0 0E+0 + +Coffinite +U(SiO4) = 1.000U+4 - 4.000H+ + 1.000H4(SiO4) + log_k -7.800 + delta_h -61.070 #kJ/mol + # Enthalpy of formation: -1991.326 #kJ/mol + -analytic -1.8499E+1 0E+0 3.1899E+3 0E+0 0E+0 + +Coffinite(am) +U(SiO4) = 1.000U+4 - 4.000H+ + 1.000H4(SiO4) + log_k -1.500 #Estimation based on NEA Guidelines + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0 + +Compreignacite +K2(UO2)6O4(OH)6:7H2O = 2.000K+ + 6.000UO2+2 - 14.000H+ + 17.000H2O + log_k 35.800 #08GOR/FEI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.58E+1 0E+0 0E+0 0E+0 0E+0 + +Corundum +Al2O3 = 2.000Al+3 - 6.000H+ + 3.000H2O + log_k 18.300 + delta_h -258.590 #kJ/mol + # Enthalpy of formation: -1675.7 #kJ/mol #89COX/WAG + -analytic -2.7003E+1 0E+0 1.35071E+4 0E+0 0E+0 + +Cotunnite +PbCl2 = 1.000Pb+2 + 2.000Cl- + log_k -4.810 + delta_h 26.160 #kJ/mol + # Enthalpy of formation: -359.4 #kJ/mol #98CHA + -analytic -2.26971E-1 0E+0 -1.36643E+3 0E+0 0E+0 + +Cr(OH)2(H2PO4)(s) +Cr(OH)2(H2PO4) = 1.000H2(PO4)- + 1.000Cr+3 + 2.000H2O - 2.000H+ + log_k 0.890 #04RAI/MOO + delta_h -5.080 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.3509E-5 0E+0 2.65346E+2 0E+0 0E+0 + +Cr(OH)2(cr) +Cr(OH)2 = - 2.000H+ + 1.000Cr+2 + 2.000H2O + log_k 11.000 #41HUM/STO, 04CHI + delta_h -75.459 #kJ/mol + # Enthalpy of formation: -653.82 #kJ/mol + -analytic -2.21983E+0 0E+0 3.94149E+3 0E+0 0E+0 + +Cr(OH)3(cr) +Cr(OH)3 = - 3.000H+ + 1.000Cr+3 + 3.000H2O + log_k 7.500 #04RAI/MOO + delta_h -104.751 #kJ/mol + # Enthalpy of formation: -993.238 #kJ/mol + -analytic -1.08516E+1 0E+0 5.47152E+3 0E+0 0E+0 + +Cr(s) +Cr = 2.000H+ + 1.000CrO4-2 - 1.000H2O - 1.500O2 + log_k 89.660 + delta_h -574.989 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol + -analytic -1.10736E+1 0E+0 3.00337E+4 0E+0 0E+0 + +Cr2(SO4)3(s) +Cr2(SO4)3 = 3.000SO4-2 + 2.000Cr+3 + log_k 4.380 + delta_h -277.720 #kJ/mol + # Enthalpy of formation: -2931.3 #kJ/mol #91KNA/KUB + -analytic -4.42744E+1 0E+0 1.45063E+4 0E+0 0E+0 + +Cr2O3(cr) +Cr2O3 = - 6.000H+ + 2.000Cr+3 + 3.000H2O + log_k 7.750 + delta_h -198.000 #kJ/mol + # Enthalpy of formation: -1140.5 #kJ/mol #04CHI + -analytic -2.69381E+1 0E+0 1.03422E+4 0E+0 0E+0 + +Cr2S3(s) +Cr2S3 = - 3.000H+ + 3.000HS- + 2.000Cr+3 + log_k 3.260 + delta_h -195.200 #kJ/mol + # Enthalpy of formation: -334.7 #kJ/mol #84PAN + -analytic -3.09375E+1 0E+0 1.0196E+4 0E+0 0E+0 + +CrCl2(cr) +CrCl2 = 2.000Cl- + 1.000Cr+2 + log_k 12.730 + delta_h -103.500 #kJ/mol + # Enthalpy of formation: -388.3 #kJ/mol #98BAL/NOR + -analytic -5.4024E+0 0E+0 5.40617E+3 0E+0 0E+0 + +CrCl3(cr) +CrCl3 = 3.000Cl- + 1.000Cr+3 + log_k 20.190 + delta_h -197.300 #kJ/mol + # Enthalpy of formation: -544.4 #kJ/mol #98BAL/NOR + -analytic -1.43754E+1 0E+0 1.03057E+4 0E+0 0E+0 + +CrO2(cr) +CrO2 = 2.000H+ + 1.000CrO4-2 - 1.000H2O - 0.500O2 + log_k -8.690 + delta_h 10.797 #kJ/mol + # Enthalpy of formation: -597.9 #kJ/mol #93BAR, 04CHI + -analytic -6.79845E+0 0E+0 -5.63966E+2 0E+0 0E+0 + +CrO3(cr) +CrO3 = 2.000H+ + 1.000CrO4-2 - 1.000H2O + log_k -3.020 + delta_h -10.070 #kJ/mol + # Enthalpy of formation: -583.1 #kJ/mol #98BAL/NOR, 04CHI + -analytic -4.78419E+0 0E+0 5.25992E+2 0E+0 0E+0 + +CrPO4(green) +CrPO4 = - 2.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + log_k -3.060 #51ZHA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.06E+0 0E+0 0E+0 0E+0 0E+0 + +CrPO4(purple) +CrPO4 = - 2.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + log_k 2.560 #51ZHA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.56E+0 0E+0 0E+0 0E+0 0E+0 + +CrS(s) +CrS = - 1.000H+ + 1.000HS- + 1.000Cr+2 + log_k 1.660 + delta_h -38.800 #kJ/mol + # Enthalpy of formation: -135.143 #kJ/mol #84PAN + -analytic -5.13746E+0 0E+0 2.02666E+3 0E+0 0E+0 + +Cristobalite +SiO2 = 1.000H4(SiO4) - 2.000H2O + log_k -3.160 + delta_h 16.500 #kJ/mol + # Enthalpy of formation: -906.034 #kJ/mol #04FAB/SAX + -analytic -2.69328E-1 0E+0 -8.61854E+2 0E+0 0E+0 + +Crocoite +PbCrO4 = 1.000Pb+2 + 1.000CrO4-2 + log_k -12.550 #42KOL/PER + delta_h 48.940 #kJ/mol + # Enthalpy of formation: -927.02 #kJ/mol #75DEL/MCC + -analytic -3.97609E+0 0E+0 -2.55631E+3 0E+0 0E+0 + +Cronstedtite-Th +Fe2Fe(SiAl)O5(OH)4 = 1.000Fe+3 + 2.000Fe+2 + 1.000Al+3 - 10.000H+ + 1.000H4(SiO4) + 5.000H2O + log_k 99.200 + delta_h -743.194 #kJ/mol + # Enthalpy of formation: -2914.55 #kJ/mol #13BLA/VIE + -analytic -3.10018E+1 0E+0 3.88197E+4 0E+0 0E+0 + +Cs(s) +Cs = 1.000Cs+ + 0.500H2O - 1.000H+ - 0.250O2 + log_k 72.555 + delta_h -397.882 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG + -analytic 2.84926E+0 0E+0 2.07828E+4 0E+0 0E+0 + +Cs2(CO3)(s) +Cs2(CO3) = 2.000Cs+ + 1.000CO3-2 + log_k 9.900 + delta_h -55.348 #kJ/mol + # Enthalpy of formation: -1135.882 #kJ/mol + -analytic 2.03461E-1 0E+0 2.89102E+3 0E+0 0E+0 + +Cs2(SO4)(s) +Cs2(SO4) = 2.000Cs+ + 1.000SO4-2 + log_k 0.580 + delta_h 17.756 #kJ/mol + # Enthalpy of formation: -1443.096 #kJ/mol + -analytic 3.69071E+0 0E+0 -9.27459E+2 0E+0 0E+0 + +Cs2MoO4(s) +Cs2MoO4 = 2.000Cs+ + 1.000MoO4-2 + log_k 2.210 + delta_h 1.581 #kJ/mol + # Enthalpy of formation: -1514.581 #kJ/mol + -analytic 2.48698E+0 0E+0 -8.25813E+1 0E+0 0E+0 + +Cs2O(s) +Cs2O = 2.000Cs+ - 2.000H+ + 1.000H2O + log_k 89.680 + delta_h -456.100 #kJ/mol + # Enthalpy of formation: -345.73 #kJ/mol + -analytic 9.77483E+0 0E+0 2.38237E+4 0E+0 0E+0 + +CsBr(cr) +CsBr = 1.000Cs+ + 1.000Br- + log_k 0.720 + delta_h 26.190 #kJ/mol + # Enthalpy of formation: -405.6 #kJ/mol #01LEM/FUG + -analytic 5.30828E+0 0E+0 -1.368E+3 0E+0 0E+0 + +CsCl(cr) +CsCl = 1.000Cs+ + 1.000Cl- + log_k 1.550 + delta_h 17.230 #kJ/mol + # Enthalpy of formation: -442.31 #kJ/mol #01LEM/FUG + -analytic 4.56856E+0 0E+0 -8.99984E+2 0E+0 0E+0 + +Cu(SeO3):2H2O(s) +Cu(SeO3):2H2O = 1.000Cu+2 + 1.000SeO3-2 + 2.000H2O + log_k -9.500 #Average value from 56CHU and 93SLA/POP in 05OLI/NOL + delta_h -15.320 #kJ/mol + # Enthalpy of formation: -998.6 #kJ/mol #05OLI/NOL + -analytic -1.21839E+1 0E+0 8.00218E+2 0E+0 0E+0 + +Cu(SeO4):5H2O(s) +Cu(SeO4):5H2O = 1.000Cu+2 + 1.000SeO4-2 + 5.000H2O + log_k -2.440 #05OLI/NOL + delta_h 5.580 #kJ/mol + # Enthalpy of formation: -1973.33 #kJ/mol #05OLI/NOL + -analytic -1.46243E+0 0E+0 -2.91463E+2 0E+0 0E+0 + +Cu(cr) +Cu = 1.000Cu+2 + 1.000H2O - 2.000H+ - 0.500O2 + log_k 31.600 + delta_h -214.863 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #01LEM/FUG + -analytic -6.04233E+0 0E+0 1.12231E+4 0E+0 0E+0 + +Cu2Se(alfa) +Cu2Se = 2.000Cu+ - 1.000H+ + 1.000HSe- + log_k -45.890 #01SEB/POT + delta_h 216.940 #kJ/mol + # Enthalpy of formation: -59.3 #kJ/mol #05OLI/NOL + -analytic -7.8838E+0 0E+0 -1.13315E+4 0E+0 0E+0 + +Cu3(AsO4)2(s) +Cu3(AsO4)2 = 3.000Cu+2 + 2.000AsO4-3 + log_k -34.880 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.488E+1 0E+0 0E+0 0E+0 0E+0 + +CuSe(alfa) +CuSe = 1.000Cu+2 - 1.000H+ + 1.000HSe- + log_k -25.460 + delta_h 118.700 #kJ/mol + # Enthalpy of formation: -39.5 #kJ/mol #05OLI/NOL + -analytic -4.66468E+0 0E+0 -6.20012E+3 0E+0 0E+0 + +CuSe(beta) +CuSe = 1.000Cu+2 - 1.000H+ + 1.000HSe- + log_k -25.130 + delta_h 116.000 #kJ/mol + # Enthalpy of formation: -36.8 #kJ/mol #05OLI/NOL + -analytic -4.8077E+0 0E+0 -6.05909E+3 0E+0 0E+0 + +Dawsonite +NaAl(CO3)(OH)2 = 1.000Na+ + 1.000Al+3 - 2.000H+ + 1.000CO3-2 + 2.000H2O + log_k -6.000 + delta_h -61.630 #kJ/mol + # Enthalpy of formation: -1964 #kJ/mol #76FER/STU + -analytic -1.67971E+1 0E+0 3.21915E+3 0E+0 0E+0 + +Diaspore +AlO(OH) = 1.000Al+3 - 3.000H+ + 2.000H2O + log_k 6.860 + delta_h -108.760 #kJ/mol + # Enthalpy of formation: -1001.3 #kJ/mol #95ROB/HEM + -analytic -1.21939E+1 0E+0 5.68092E+3 0E+0 0E+0 + +Dickite +Al2Si2O5(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O + log_k 9.390 + delta_h -185.218 #kJ/mol + # Enthalpy of formation: -4099.8 #kJ/mol #93FIA/MAZ + -analytic -2.30588E+1 0E+0 9.6746E+3 0E+0 0E+0 + +Dolomite +CaMg(CO3)2 = 1.000Ca+2 + 1.000Mg+2 + 2.000CO3-2 + log_k -17.120 + delta_h -35.960 #kJ/mol + # Enthalpy of formation: -2324.5 #kJ/mol #95ROB/HEM + -analytic -2.34199E+1 0E+0 1.87832E+3 0E+0 0E+0 + +Downeyite +SeO2 = 2.000H+ + 1.000SeO3-2 - 1.000H2O + log_k -8.150 + delta_h 4.060 #kJ/mol + # Enthalpy of formation: -225.39 #kJ/mol #05OLI/NOL + -analytic -7.43872E+0 0E+0 -2.12068E+2 0E+0 0E+0 + +Eastonite +KMg2Al3Si2O10(OH)2 = 2.000Mg+2 + 1.000K+ + 3.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O + log_k 46.320 + delta_h -518.108 #kJ/mol + # Enthalpy of formation: -6348.94 #kJ/mol #98HOL/POW + -analytic -4.44485E+1 0E+0 2.70626E+4 0E+0 0E+0 + +Epsonite +Mg(SO4):7H2O = 1.000Mg+2 + 1.000SO4-2 + 7.000H2O + log_k -1.880 #84HAR/MOL + delta_h 10.990 #kJ/mol + # Enthalpy of formation: -3388.14 #kJ/mol + -analytic 4.53625E-2 0E+0 -5.74047E+2 0E+0 0E+0 + +Ettringite +Ca6Al2(SO4)3(OH)12:26H2O = 6.000Ca+2 + 2.000Al+3 - 12.000H+ + 3.000SO4-2 + 38.000H2O + log_k 56.970 #10BLA/BOU + delta_h -379.830 #kJ/mol + # Enthalpy of formation: -17544.53 #kJ/mol #10BLA/BOU + -analytic -9.57326E+0 0E+0 1.98399E+4 0E+0 0E+0 + +Ettringite-Fe +Ca6Fe2(SO4)3(OH)12:26H2O = 6.000Ca+2 + 2.000Fe+3 - 12.000H+ + 3.000SO4-2 + 38.000H2O + log_k 54.550 #10BLA/BOU + delta_h -343.754 #kJ/mol + # Enthalpy of formation: -16601.806 #kJ/mol + -analytic -5.67303E+0 0E+0 1.79555E+4 0E+0 0E+0 + +Eu(CO3)(OH)(cr) +Eu(CO3)(OH) = 1.000Eu+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O + log_k -9.630 + delta_h -43.391 #kJ/mol + # Enthalpy of formation: -1523 #kJ/mol #05ROR/FUG + -analytic -1.72318E+1 0E+0 2.26647E+3 0E+0 0E+0 + +Eu(CO3)(OH):0.5H2O(s) +Eu(CO3)(OH):0.5H2O = 1.000Eu+3 - 1.000H+ + 1.000CO3-2 + 1.500H2O + log_k -7.800 #95SPA/BRU + delta_h -55.906 #kJ/mol + # Enthalpy of formation: -1653.4 #kJ/mol #05ROR/FUG + -analytic -1.75943E+1 0E+0 2.92017E+3 0E+0 0E+0 + +Eu(NO3)3:6H2O(s) +Eu(NO3)3:6H2O = 1.000Eu+3 + 3.000NO3- + 6.000H2O + log_k 1.840 #95SPA/BRU + delta_h 16.839 #kJ/mol + # Enthalpy of formation: -2957.7 #kJ/mol #82WAG/EVA + -analytic 4.79006E+0 0E+0 -8.79561E+2 0E+0 0E+0 + +Eu(OH)3(am) +Eu(OH)3 = 1.000Eu+3 - 3.000H+ + 3.000H2O + log_k 17.600 #98DIA/RAG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.76E+1 0E+0 0E+0 0E+0 0E+0 + +Eu(OH)3(cr) +Eu(OH)3 = 1.000Eu+3 - 3.000H+ + 3.000H2O + log_k 15.460 #98DIA/RAG + delta_h -127.542 #kJ/mol + # Enthalpy of formation: -1335.279 #kJ/mol + -analytic -6.88437E+0 0E+0 6.66197E+3 0E+0 0E+0 + +Eu(PO4):xH2O(s) +Eu(PO4) = 1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- + log_k -4.840 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.84E+0 0E+0 0E+0 0E+0 0E+0 + +Eu(cr) +Eu = 1.000Eu+3 + 1.500H2O - 3.000H+ - 0.750O2 + log_k 165.125 + delta_h -1024.976 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA + -analytic -1.44427E+1 0E+0 5.35381E+4 0E+0 0E+0 + +Eu2(CO3)3:3H2O(s) +Eu2(CO3)3:3H2O = 2.000Eu+3 + 3.000CO3-2 + 3.000H2O + log_k -35.000 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.5E+1 0E+0 0E+0 0E+0 0E+0 + +Eu2(SO4)3:8H2O(s) +Eu2(SO4)3:8H2O = 2.000Eu+3 + 3.000SO4-2 + 8.000H2O + log_k -10.200 #95SPA/BRU + delta_h -90.974 #kJ/mol + # Enthalpy of formation: -6134.348 #kJ/mol + -analytic -2.61379E+1 0E+0 4.7519E+3 0E+0 0E+0 + +Eu2O3(cubic) +Eu2O3 = 2.000Eu+3 - 6.000H+ + 3.000H2O + log_k 52.400 #95SPA/BRU + delta_h -405.453 #kJ/mol + # Enthalpy of formation: -1662.7 #kJ/mol #82WAG/EVA + -analytic -1.86322E+1 0E+0 2.11783E+4 0E+0 0E+0 + +Eu2O3(monoclinic) +Eu2O3 = 2.000Eu+3 - 6.000H+ + 3.000H2O + log_k 53.470 + delta_h -418.514 #kJ/mol + # Enthalpy of formation: -1649.638 #kJ/mol + -analytic -1.98504E+1 0E+0 2.18605E+4 0E+0 0E+0 + +Eu3O4(s) +Eu3O4 = 3.000Eu+3 - 9.000H+ + 4.500H2O - 0.250O2 + log_k 114.515 + delta_h -829.196 #kJ/mol + # Enthalpy of formation: -2270 #kJ/mol + -analytic -3.07536E+1 0E+0 4.33118E+4 0E+0 0E+0 + +EuBr3(s) +EuBr3 = 1.000Eu+3 + 3.000Br- + log_k 30.190 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.019E+1 0E+0 0E+0 0E+0 0E+0 + +EuCl(OH)2(s) +EuCl(OH)2 = 1.000Eu+3 - 2.000H+ + 1.000Cl- + 2.000H2O + log_k 9.130 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.13E+0 0E+0 0E+0 0E+0 0E+0 + +EuCl2(s) +EuCl2 = 1.000Eu+3 + 2.000Cl- + 0.500H2O - 1.000H+ - 0.250O2 + log_k 32.715 #95SPA/BRU + delta_h -255.373 #kJ/mol + # Enthalpy of formation: -824 #kJ/mol #82WAG/EVA + -analytic -1.20243E+1 0E+0 1.3339E+4 0E+0 0E+0 + +EuCl3(s) +EuCl3 = 1.000Eu+3 + 3.000Cl- + log_k 19.720 #96FAL/REA + delta_h -170.571 #kJ/mol + # Enthalpy of formation: -936 #kJ/mol #82WAG/EVA + -analytic -1.01627E+1 0E+0 8.90953E+3 0E+0 0E+0 + +EuCl3:6H2O(s) +EuCl3:6H2O = 1.000Eu+3 + 3.000Cl- + 6.000H2O + log_k 5.200 #95SPA/BRU + delta_h -41.414 #kJ/mol + # Enthalpy of formation: -2780.137 #kJ/mol + -analytic -2.05541E+0 0E+0 2.1632E+3 0E+0 0E+0 + +EuF3(s) +EuF3 = 1.000Eu+3 + 3.000F- + log_k -18.500 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.85E+1 0E+0 0E+0 0E+0 0E+0 + +EuF3:0.5H2O(s) +EuF3:0.5H2O = 1.000Eu+3 + 3.000F- + 0.500H2O + log_k -17.200 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.72E+1 0E+0 0E+0 0E+0 0E+0 + +EuO(s) +EuO = 1.000Eu+3 - 3.000H+ + 1.500H2O - 0.250O2 + log_k 66.265 + delta_h -439.894 #kJ/mol + # Enthalpy of formation: -591.149 #kJ/mol + -analytic -1.08009E+1 0E+0 2.29772E+4 0E+0 0E+0 + +EuOCl(s) +EuOCl = 1.000Eu+3 - 2.000H+ + 1.000Cl- + 1.000H2O + log_k 15.810 #95SPA/BRU + delta_h -154.741 #kJ/mol + # Enthalpy of formation: -903.5 #kJ/mol + -analytic -1.12994E+1 0E+0 8.08267E+3 0E+0 0E+0 + +EuPO4:H2O(cr) +EuPO4:H2O = 1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O + log_k -6.440 #97LIU/BYR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.44E+0 0E+0 0E+0 0E+0 0E+0 + +EuSO4(s) +EuSO4 = 1.000Eu+3 + 1.000SO4-2 + 0.500H2O - 1.000H+ - 0.250O2 + log_k 18.975 #95SPA/BRU + delta_h -232.746 #kJ/mol + # Enthalpy of formation: -1421.807 #kJ/mol + -analytic -2.18002E+1 0E+0 1.21571E+4 0E+0 0E+0 + +Fayalite +Fe2(SiO4) = 2.000Fe+2 - 4.000H+ + 1.000H4(SiO4) + log_k 19.510 + delta_h -163.054 #kJ/mol + # Enthalpy of formation: -1478.14 #kJ/mol #95ROB/HEM + -analytic -9.05579E+0 0E+0 8.51689E+3 0E+0 0E+0 + +Fe(OH)2(cr) +Fe(OH)2 = 1.000Fe+2 - 2.000H+ + 2.000H2O + log_k 12.760 + delta_h -99.056 #kJ/mol + # Enthalpy of formation: -574.011 #kJ/mol + -analytic -4.59384E+0 0E+0 5.17405E+3 0E+0 0E+0 + +Fe(PO4)(cr) +Fe(PO4) = 1.000Fe+3 - 2.000H+ + 1.000H2(PO4)- + log_k -6.240 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) + delta_h -18.600 #kJ/mol + # Enthalpy of formation: -1333 #kJ/mol + -analytic -9.49858E+0 0E+0 9.71544E+2 0E+0 0E+0 + +Fe(s) +Fe = 1.000Fe+2 + 1.000H2O - 2.000H+ - 0.500O2 + log_k 58.850 #95PAR/KHO in 98CHI + delta_h -369.763 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol + -analytic -5.9296E+0 0E+0 1.9314E+4 0E+0 0E+0 + +Fe1.04Se(beta) +Fe1.04Se = 1.040Fe+2 - 1.080H+ + 1.000HSe- + 0.040H2O - 0.020O2 + log_k -1.680 + delta_h -20.891 #kJ/mol + # Enthalpy of formation: -69.6 #kJ/mol #05OLI/NOL + -analytic -5.34026E+0 0E+0 1.09119E+3 0E+0 0E+0 + +Fe2(SeO3)3:6H2O(s) +Fe2(SeO3)3:6H2O = 2.000Fe+3 + 3.000SeO3-2 + 6.000H2O + log_k -41.580 #05OLI/NOL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.158E+1 0E+0 0E+0 0E+0 0E+0 + +Fe3Se4(gamma) +Fe3Se4 = 3.000Fe+2 - 2.000H+ + 4.000HSe- - 1.000H2O + 0.500O2 + log_k -68.590 + delta_h 301.963 #kJ/mol + # Enthalpy of formation: -235 #kJ/mol #05OLI/NOL + -analytic -1.56884E+1 0E+0 -1.57726E+4 0E+0 0E+0 + +Fe5(OH)(PO4)3(s) +Fe5(OH)(PO4)3 = 5.000Fe+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O + log_k -402.320 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.0232E+2 0E+0 0E+0 0E+0 0E+0 + +Fe7Se8(alfa) +Fe7Se8 = 7.000Fe+2 - 6.000H+ + 8.000HSe- - 1.000H2O + 0.500O2 + log_k -78.590 + delta_h 227.663 #kJ/mol + # Enthalpy of formation: -463.5 #kJ/mol #05OLI/NOL + -analytic -3.87052E+1 0E+0 -1.18916E+4 0E+0 0E+0 + +FeAl2O4(s) +FeAl2O4 = 1.000Fe+2 + 2.000Al+3 - 8.000H+ + 4.000H2O + log_k 27.200 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.72E+1 0E+0 0E+0 0E+0 0E+0 + +FeMoO4(s) +FeMoO4 = 1.000Fe+2 + 1.000MoO4-2 + log_k -8.350 + delta_h -11.534 #kJ/mol + # Enthalpy of formation: -1075.466 #kJ/mol + -analytic -1.03707E+1 0E+0 6.02462E+2 0E+0 0E+0 + +FeO(s) +FeO = 1.000Fe+2 - 2.000H+ + 1.000H2O + log_k 13.370 #95ROB/HEM + delta_h -103.830 #kJ/mol + # Enthalpy of formation: -272 #kJ/mol + -analytic -4.82021E+0 0E+0 5.42341E+3 0E+0 0E+0 + +FeS(am) +FeS = 1.000Fe+2 - 1.000H+ + 1.000HS- + log_k -2.950 #91DAV + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.95E+0 0E+0 0E+0 0E+0 0E+0 + +Ferrihydrite(am) +Fe(OH)3 = 1.000Fe+3 - 3.000H+ + 3.000H2O + log_k 2.540 #63SCH/MIC + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.54E+0 0E+0 0E+0 0E+0 0E+0 + +Ferroselite +FeSe2 = 1.000Fe+2 + 2.000HSe- - 1.000H2O + 0.500O2 + log_k -60.120 #05OLI/NOL + delta_h 327.063 #kJ/mol + # Enthalpy of formation: -108.7 #kJ/mol #05OLI/NOL + -analytic -2.82111E+0 0E+0 -1.70837E+4 0E+0 0E+0 + +Ferrosilite +FeSiO3 = 1.000Fe+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O + log_k 32.710 #95TRO: CEA, N.T.SESD n¿ 95/49, L. TROTIGNON avril 1996; Critique et s¿lection de donn¿es thermodynamiques en vue de mod¿liser les ¿quilibres min¿ral - solution, rapport annuel 1995 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.271E+1 0E+0 0E+0 0E+0 0E+0 + +Ferryhydrite +Fe(OH)3 = 1.000Fe+3 - 3.000H+ + 3.000H2O + log_k 1.190 #05GRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.19E+0 0E+0 0E+0 0E+0 0E+0 + +Fluorapatite +Ca5F(PO4)3 = 5.000Ca+2 - 6.000H+ + 1.000F- + 3.000H2(PO4)- + log_k -0.910 #74HAG + delta_h -115.603 #kJ/mol + # Enthalpy of formation: -6842.547 #kJ/mol + -analytic -2.11627E+1 0E+0 6.03836E+3 0E+0 0E+0 + +Fluorite +CaF2 = 1.000Ca+2 + 2.000F- + log_k -10.600 + delta_h 19.623 #kJ/mol + # Enthalpy of formation: -1233.323 #kJ/mol + -analytic -7.1622E+0 0E+0 -1.02498E+3 0E+0 0E+0 + +Foshagite +Ca4Si3O9(OH)2:0.5H2O = 4.000Ca+2 - 8.000H+ + 3.000H4(SiO4) - 0.500H2O + log_k 65.960 #10BLA/BOU + delta_h -380.237 #kJ/mol + # Enthalpy of formation: -6032.43 #kJ/mol #56NEW + -analytic -6.54565E-1 0E+0 1.98611E+4 0E+0 0E+0 + +Friedel-salt +Ca4Al2(OH)12Cl2:4H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 2.000Cl- + 16.000H2O + log_k 74.930 #10BLA/BOU + delta_h -486.200 #kJ/mol + # Enthalpy of formation: -7670.04 #kJ/mol #76HOU/STE + -analytic -1.02485E+1 0E+0 2.5396E+4 0E+0 0E+0 + +Galena +PbS = 1.000Pb+2 - 1.000H+ + 1.000HS- + log_k -14.840 + delta_h 82.940 #kJ/mol + # Enthalpy of formation: -98.32 #kJ/mol #98CHA + -analytic -3.09557E-1 0E+0 -4.33225E+3 0E+0 0E+0 + +Gaylussite +CaNa2(CO3)2:5H2O = 1.000Ca+2 + 2.000Na+ + 2.000CO3-2 + 5.000H2O + log_k -9.430 #99KON/KON + delta_h 31.099 #kJ/mol + # Enthalpy of formation: -3834.389 #kJ/mol + -analytic -3.9817E+0 0E+0 -1.62441E+3 0E+0 0E+0 + +Gibbsite +Al(OH)3 = 1.000Al+3 - 3.000H+ + 3.000H2O + log_k 7.740 #95POK/HEL + delta_h -102.759 #kJ/mol + # Enthalpy of formation: -1293.131 #kJ/mol + -analytic -1.02626E+1 0E+0 5.36747E+3 0E+0 0E+0 + +Gismondine +Ca2Al4Si4O16:9H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 4.000H4(SiO4) + 9.000H2O + log_k 39.010 + delta_h -477.046 #kJ/mol + # Enthalpy of formation: -11179.8 #kJ/mol #89CHE/RIM + -analytic -4.45647E+1 0E+0 2.49178E+4 0E+0 0E+0 + +Glaserite +Na2K6(SO4)4 = 6.000K+ + 2.000Na+ + 4.000SO4-2 + log_k -7.610 #80HAR/WEA + delta_h 78.360 #kJ/mol + # Enthalpy of formation: -5709.24 #kJ/mol + -analytic 6.11806E+0 0E+0 -4.09302E+3 0E+0 0E+0 + +Glauberite +Na2Ca(SO4)2 = 1.000Ca+2 + 2.000Na+ + 2.000SO4-2 + log_k 1.970 #84HAR/MOL + delta_h -13.160 #kJ/mol + # Enthalpy of formation: -2829.2 #kJ/mol #82WAG/EVA + -analytic -3.3553E-1 0E+0 6.87394E+2 0E+0 0E+0 + +Glauconite +(K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 = 0.250Mg+2 + 0.750K+ + 1.250Fe+3 + 0.250Fe+2 + 0.500Al+3 - 7.000H+ + 3.750H4(SiO4) - 3.000H2O + log_k 2.550 + delta_h -124.732 #kJ/mol + # Enthalpy of formation: -5156.06 #kJ/mol #13BLA/VIE + -analytic -1.93021E+1 0E+0 6.5152E+3 0E+0 0E+0 + +Goethite +FeOOH = 1.000Fe+3 - 3.000H+ + 2.000H2O + log_k 0.390 #63SCH/MIC + delta_h -61.522 #kJ/mol + # Enthalpy of formation: -559.124 #kJ/mol + -analytic -1.03882E+1 0E+0 3.21351E+3 0E+0 0E+0 + +Greenalite +Fe3Si2O5(OH)4 = 3.000Fe+2 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O + log_k 21.770 + delta_h -177.218 #kJ/mol + # Enthalpy of formation: -3301 #kJ/mol #83MIY/KLE + -analytic -9.27722E+0 0E+0 9.25673E+3 0E+0 0E+0 + +Gypsum +CaSO4:2H2O = 1.000Ca+2 + 1.000SO4-2 + 2.000H2O + log_k -4.610 + delta_h -1.050 #kJ/mol + # Enthalpy of formation: -2022.95 #kJ/mol #87GAR/PAR + -analytic -4.79395E+0 0E+0 5.48452E+1 0E+0 0E+0 + +Gyrolite +Ca2Si3O7.5(OH):2H2O = 2.000Ca+2 - 4.000H+ + 3.000H4(SiO4) - 1.500H2O + log_k 22.340 #10BLA/BOU + delta_h -122.847 #kJ/mol + # Enthalpy of formation: -4917.99 #kJ/mol #10BLA/BOU + -analytic 8.18161E-1 0E+0 6.41674E+3 0E+0 0E+0 + +H2MoO4(s) +H2MoO4 = 2.000H+ + 1.000MoO4-2 + log_k -13.170 + delta_h 48.763 #kJ/mol + # Enthalpy of formation: -1045.763 #kJ/mol + -analytic -4.6271E+0 0E+0 -2.54707E+3 0E+0 0E+0 + +H3Cit:H2O(cr) +H3Cit:H2O = 3.000H+ + 1.000Cit-3 + 1.000H2O + log_k -12.940 #05HUM/AND + delta_h 32.710 #kJ/mol + # Enthalpy of formation: -1838.46 #kJ/mol + -analytic -7.20946E+0 0E+0 -1.70856E+3 0E+0 0E+0 + +H4Edta(cr) +H4Edta = 4.000H+ + 1.000Edta-4 + log_k -27.220 #05HUM/AND + delta_h 55.000 #kJ/mol + # Enthalpy of formation: -1759.8 #kJ/mol + -analytic -1.75844E+1 0E+0 -2.87285E+3 0E+0 0E+0 + +HBeidellite-Ca +Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O + log_k 2.110 + delta_h -160.492 #kJ/mol + # Enthalpy of formation: -7056.996 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -2.6007E+1 0E+0 8.38307E+3 0E+0 0E+0 + +HBeidellite-K +K0.34Al2.34Si3.66O10(OH)2:1.96H2O = 0.340K+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O + log_k 2.240 + delta_h -167.142 #kJ/mol + # Enthalpy of formation: -6332.047 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -2.7042E+1 0E+0 8.73042E+3 0E+0 0E+0 + +HBeidellite-Mg +Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O = 0.170Mg+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O + log_k 2.240 + delta_h -159.892 #kJ/mol + # Enthalpy of formation: -7090.409 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -2.57718E+1 0E+0 8.35173E+3 0E+0 0E+0 + +HBeidellite-Na +Na0.34Al2.34Si3.66O10(OH)2:3.84H2O = 0.340Na+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O + log_k 1.860 + delta_h -171.523 #kJ/mol + # Enthalpy of formation: -6861.015 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -2.81895E+1 0E+0 8.95926E+3 0E+0 0E+0 + +HMontmorillonite-BCCa +Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O = 0.170Ca+2 + 0.340Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.450H2O + log_k 2.200 + delta_h -118.557 #kJ/mol + # Enthalpy of formation: -6999.676 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -1.85703E+1 0E+0 6.19265E+3 0E+0 0E+0 + +HMontmorillonite-BCK +K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O = 0.340Mg+2 + 0.340K+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 2.040H2O + log_k 2.090 + delta_h -123.828 #kJ/mol + # Enthalpy of formation: -6276.107 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -1.96037E+1 0E+0 6.46798E+3 0E+0 0E+0 + +HMontmorillonite-BCMg +Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O = 0.510Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.610H2O + log_k 2.350 + delta_h -118.107 #kJ/mol + # Enthalpy of formation: -7032.939 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -1.83414E+1 0E+0 6.16915E+3 0E+0 0E+0 + +HMontmorillonite-BCNa +Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O = 0.340Mg+2 + 0.340Na+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 0.160H2O + log_k 1.790 + delta_h -128.688 #kJ/mol + # Enthalpy of formation: -6804.595 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -2.07551E+1 0E+0 6.72183E+3 0E+0 0E+0 + +HMontmorillonite-HCCa +Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O = 0.300Ca+2 + 0.600Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.450H2O + log_k 6.180 + delta_h -134.133 #kJ/mol + # Enthalpy of formation: -7036.126 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -1.73191E+1 0E+0 7.00624E+3 0E+0 0E+0 + +HMontmorillonite-HCK +K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O = 0.600Mg+2 + 0.600K+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 2.040H2O + log_k 4.260 + delta_h -119.730 #kJ/mol + # Enthalpy of formation: -6327.197 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -1.67158E+1 0E+0 6.25392E+3 0E+0 0E+0 + +HMontmorillonite-HCMg +Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O = 0.900Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.610H2O + log_k 6.500 + delta_h -133.713 #kJ/mol + # Enthalpy of formation: -7059.479 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -1.69255E+1 0E+0 6.98431E+3 0E+0 0E+0 + +HMontmorillonite-HCNa +Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O = 0.600Mg+2 + 0.600Na+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 0.160H2O + log_k 4.560 + delta_h -132.493 #kJ/mol + # Enthalpy of formation: -6844.715 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -1.86517E+1 0E+0 6.92058E+3 0E+0 0E+0 + +HNontronite-Ca +Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O + log_k -2.830 + delta_h -109.854 #kJ/mol + # Enthalpy of formation: -6290.336 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -2.20756E+1 0E+0 5.73807E+3 0E+0 0E+0 + +HNontronite-K +K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O = 0.340K+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O + log_k -2.700 + delta_h -116.514 #kJ/mol + # Enthalpy of formation: -5565.377 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -2.31123E+1 0E+0 6.08594E+3 0E+0 0E+0 + +HNontronite-Mg +Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O = 0.170Mg+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O + log_k -2.530 + delta_h -109.254 #kJ/mol + # Enthalpy of formation: -6323.749 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -2.16705E+1 0E+0 5.70673E+3 0E+0 0E+0 + +HNontronite-Na +Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O = 0.340Na+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O + log_k -3.090 + delta_h -120.885 #kJ/mol + # Enthalpy of formation: -6094.355 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -2.42681E+1 0E+0 6.31425E+3 0E+0 0E+0 + +HSaponite-Ca +Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 3.000Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O + log_k 28.390 + delta_h -239.662 #kJ/mol + # Enthalpy of formation: -7302.026 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -1.35969E+1 0E+0 1.25184E+4 0E+0 0E+0 + +HSaponite-FeCa +Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 2.000Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O + log_k 27.980 + delta_h -235.552 #kJ/mol + # Enthalpy of formation: -6929.136 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -1.32869E+1 0E+0 1.23037E+4 0E+0 0E+0 + +HSaponite-FeK +K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O = 2.000Mg+2 + 0.340K+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O + log_k 28.110 + delta_h -242.212 #kJ/mol + # Enthalpy of formation: -6204.177 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -1.43237E+1 0E+0 1.26516E+4 0E+0 0E+0 + +HSaponite-FeMg +Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O = 2.170Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O + log_k 28.070 + delta_h -234.962 #kJ/mol + # Enthalpy of formation: -6962.539 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -1.30935E+1 0E+0 1.22729E+4 0E+0 0E+0 + +HSaponite-FeNa +Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O = 2.000Mg+2 + 0.340Na+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O + log_k 27.720 + delta_h -246.583 #kJ/mol + # Enthalpy of formation: -6733.155 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -1.54794E+1 0E+0 1.28799E+4 0E+0 0E+0 + +HSaponite-K +K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O = 3.000Mg+2 + 0.340K+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O + log_k 28.520 + delta_h -246.322 #kJ/mol + # Enthalpy of formation: -6577.067 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -1.46337E+1 0E+0 1.28663E+4 0E+0 0E+0 + +HSaponite-Mg +Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O = 3.170Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O + log_k 28.510 + delta_h -239.062 #kJ/mol + # Enthalpy of formation: -7335.439 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -1.33718E+1 0E+0 1.24871E+4 0E+0 0E+0 + +HSaponite-Na +Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O = 3.000Mg+2 + 0.340Na+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O + log_k 28.130 + delta_h -250.693 #kJ/mol + # Enthalpy of formation: -7106.45 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -1.57895E+1 0E+0 1.30946E+4 0E+0 0E+0 + +HVermiculite-Ca +Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O = 0.430Ca+2 + 3.000Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 3.890H2O + log_k 97.850 + delta_h -683.046 #kJ/mol + # Enthalpy of formation: -7114.496 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -2.18143E+1 0E+0 3.56779E+4 0E+0 0E+0 + +HVermiculite-K +K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O = 3.000Mg+2 + 0.860K+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 1.400H2O + log_k 87.710 + delta_h -609.749 #kJ/mol + # Enthalpy of formation: -6459.427 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -1.91133E+1 0E+0 3.18494E+4 0E+0 0E+0 + +HVermiculite-Mg +Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O = 3.430Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 4.050H2O + log_k 68.210 + delta_h -523.376 #kJ/mol + # Enthalpy of formation: -7287.219 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -2.34814E+1 0E+0 2.73378E+4 0E+0 0E+0 + +HVermiculite-Na +Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O = 3.000Mg+2 + 0.860Na+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 3.280H2O + log_k 96.550 + delta_h -673.353 #kJ/mol + # Enthalpy of formation: -6923.035 #kJ/mol #13BLA/VI; 11VIE/BLA + -analytic -2.14162E+1 0E+0 3.51716E+4 0E+0 0E+0 + +Halite +NaCl = 1.000Na+ + 1.000Cl- + log_k 1.590 + delta_h 3.700 #kJ/mol + # Enthalpy of formation: -411.12 #kJ/mol #98CHA + -analytic 2.23821E+0 0E+0 -1.93264E+2 0E+0 0E+0 + +Halloysite +Al2Si2O5(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O + log_k 10.320 + delta_h -192.418 #kJ/mol + # Enthalpy of formation: -4092.6 #kJ/mol #99DEL/NAV + -analytic -2.33901E+1 0E+0 1.00507E+4 0E+0 0E+0 + +Hausmannite +Mn3O4 = 3.000Mn+2 - 6.000H+ + 3.000H2O + 0.500O2 + log_k 18.330 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.8330E+1 0E+0 0E+0 0E+0 0E+0 + +Heazlewoodite +Ni3S2 = 3.000Ni+2 - 4.000H+ + 2.000HS- + 1.000H2O - 0.500O2 + log_k 25.760 + delta_h -260.199 #kJ/mol + # Enthalpy of formation: -217.2 #kJ/mol #05GAM/BUG + -analytic -1.98248E+1 0E+0 1.35911E+4 0E+0 0E+0 + +Hematite +Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O + log_k -1.020 #05GRI + delta_h -123.679 #kJ/mol + # Enthalpy of formation: -831.811 #kJ/mol + -analytic -2.26876E+1 0E+0 6.46019E+3 0E+0 0E+0 + +Hemicarboaluminate +Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O = 8.000Ca+2 + 4.000Al+3 - 26.000H+ + 1.000CO3-2 + 35.000H2O + log_k 173.200 #07MAT/LOT + delta_h -1188.595 #kJ/mol + # Enthalpy of formation: -15988.285 #kJ/mol + -analytic -3.50326E+1 0E+0 6.20845E+4 0E+0 0E+0 + +Herzenbergite +SnS = 1.000Sn+2 - 1.000H+ + 1.000HS- + log_k -16.210 + delta_h 83.683 #kJ/mol + # Enthalpy of formation: -109.6 #kJ/mol #12GAJ/SAN + -analytic -1.54939E+0 0E+0 -4.37106E+3 0E+0 0E+0 + +Heulandite_Ca +Ca1.07Al2.14Si6.86O18:6.17H2O = 1.070Ca+2 + 2.140Al+3 - 8.560H+ + 6.860H4(SiO4) - 3.270H2O + log_k 2.460 #09BLA + delta_h -155.113 #kJ/mol + # Enthalpy of formation: -10667.2 #kJ/mol #09BLA + -analytic -2.47146E+1 0E+0 8.1021E+3 0E+0 0E+0 + +Heulandite_Na +Na2.14Al2.14Si6.86O18:6.17H2O = 2.140Na+ + 2.140Al+3 - 8.560H+ + 6.860H4(SiO4) - 3.270H2O + log_k 2.800 #09BLA + delta_h -142.780 #kJ/mol + # Enthalpy of formation: -10612.85 #kJ/mol #09BLA + -analytic -2.22139E+1 0E+0 7.45791E+3 0E+0 0E+0 + +Hexahydrite +Mg(SO4):6H2O = 1.000Mg+2 + 1.000SO4-2 + 6.000H2O + log_k -1.640 #84HAR/MOL + delta_h -4.625 #kJ/mol + # Enthalpy of formation: -3086.695 #kJ/mol + -analytic -2.45026E+0 0E+0 2.4158E+2 0E+0 0E+0 + +Hf(HPO4)2:H2O(s) +Hf(HPO4)2:H2O = - 2.000H+ + 2.000H2(PO4)- + 1.000Hf+4 + 1.000H2O + log_k -21.050 #25HEV/KIM recalculated + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: -3481.6 #kJ/mol #97KAR/CHE + -analytic -2.105E+1 0E+0 0E+0 0E+0 0E+0 + +HfO2(am) +HfO2 = - 4.000H+ + 1.000Hf+4 + 2.000H2O + log_k 0.900 #01RAI/XIA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: -1101.7 #kJ/mol #98KAR/CHE + -analytic 9E-1 0E+0 0E+0 0E+0 0E+0 + +HfO2(cr) +HfO2 = - 4.000H+ + 1.000Hf+4 + 2.000H2O + log_k -5.600 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: -1117.63 #kJ/mol #75KOR/USH + -analytic -5.6E+0 0E+0 0E+0 0E+0 0E+0 + +Hg2SeO3(s) +Hg2SeO3 = 1.000SeO3-2 + 1.000Hg2+2 + log_k -15.200 #05OLI/NOL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.52E+1 0E+0 0E+0 0E+0 0E+0 + +HgSeO3(s) +HgSeO3 = 1.000Hg+2 + 1.000SeO3-2 + log_k -16.200 #05OLI/NOL + delta_h 36.650 #kJ/mol + # Enthalpy of formation: -373.6 #kJ/mol #05OLI/NOL + -analytic -9.77921E+0 0E+0 -1.91436E+3 0E+0 0E+0 + +Hillebrandite +Ca2SiO3(OH)2:0.17H2O = 2.000Ca+2 - 4.000H+ + 1.000H4(SiO4) + 1.170H2O + log_k 36.950 #10BLA/BOU + delta_h -219.135 #kJ/mol + # Enthalpy of formation: -2662.48 #kJ/mol #56NEW + -analytic -1.44075E+0 0E+0 1.14462E+4 0E+0 0E+0 + +Ho(OH)3(am) +Ho(OH)3 = - 3.000H+ + 1.000Ho+3 + 3.000H2O + log_k 17.480 #98DIA/RAG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.748E+1 0E+0 0E+0 0E+0 0E+0 + +Ho(OH)3(s) +Ho(OH)3 = - 3.000H+ + 1.000Ho+3 + 3.000H2O + log_k 15.430 #98DIA/RAG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.543E+1 0E+0 0E+0 0E+0 0E+0 + +Ho(PO4):xH2O(s) +Ho(PO4) = - 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- + log_k -4.640 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.64E+0 0E+0 0E+0 0E+0 0E+0 + +Ho(cr) +Ho = 1.000Ho+3 + 1.500H2O - 3.000H+ - 0.750O2 + log_k 182.795 + delta_h -1126.687 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA + -analytic -1.45917E+1 0E+0 5.88508E+4 0E+0 0E+0 + +Ho2(CO3)3(cr) +Ho2(CO3)3 = 2.000Ho+3 + 3.000CO3-2 + log_k -33.800 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.38E+1 0E+0 0E+0 0E+0 0E+0 + +Ho2O3(s) +Ho2O3 = - 6.000H+ + 2.000Ho+3 + 3.000H2O + log_k 47.410 + delta_h -390.718 #kJ/mol + # Enthalpy of formation: -1880.856 #kJ/mol + -analytic -2.10408E+1 0E+0 2.04086E+4 0E+0 0E+0 + +HoCl3:6H2O(s) +HoCl3:6H2O = 1.000Ho+3 + 3.000Cl- + 6.000H2O + log_k 5.390 #95SPA/BRU + delta_h -43.855 #kJ/mol + # Enthalpy of formation: -2879.407 #kJ/mol + -analytic -2.29305E+0 0E+0 2.2907E+3 0E+0 0E+0 + +HoF3:0.5H2O(s) +HoF3:0.5H2O = 1.000Ho+3 + 3.000F- + 0.500H2O + log_k -16.400 #95SPA/BRU + delta_h -149.007 #kJ/mol + # Enthalpy of formation: -1707 #kJ/mol #82WAG/EVA + -analytic -4.25049E+1 0E+0 7.78317E+3 0E+0 0E+0 + +HoPO4:H2O(cr) +HoPO4:H2O = - 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- + 1.000H2O + log_k -5.560 #97LIU/BYR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.56E+0 0E+0 0E+0 0E+0 0E+0 + +Hydrocerussite +Pb3(CO3)2(OH)2 = 3.000Pb+2 - 2.000H+ + 2.000CO3-2 + 2.000H2O + log_k -17.910 + delta_h -5.160 #kJ/mol + # Enthalpy of formation: -1914.2 #kJ/mol #83SAN/BAR + -analytic -1.8814E+1 0E+0 2.69525E+2 0E+0 0E+0 + +Hydrophilite +CaCl2 = 1.000Ca+2 + 2.000Cl- + log_k 11.770 + delta_h -81.360 #kJ/mol + # Enthalpy of formation: -795.8 #kJ/mol #98CHA + -analytic -2.48364E+0 0E+0 4.24972E+3 0E+0 0E+0 + +Hydrotalcite +Mg4Al2(OH)14:3H2O = 4.000Mg+2 + 2.000Al+3 - 14.000H+ + 17.000H2O + log_k 73.740 #92ATK/GLA + delta_h -583.985 #kJ/mol + # Enthalpy of formation: -7219.925 #kJ/mol + -analytic -2.85696E+1 0E+0 3.05036E+4 0E+0 0E+0 + +Hydrotalcite-CO3 +Mg4Al2(OH)12CO3:2H2O = 4.000Mg+2 + 2.000Al+3 - 12.000H+ + 1.000CO3-2 + 14.000H2O + log_k 50.860 #03JOH/GLA + delta_h -542.565 #kJ/mol + # Enthalpy of formation: -7079.085 #kJ/mol + -analytic -4.41932E+1 0E+0 2.83401E+4 0E+0 0E+0 + +Hydroxyapatite +Ca5(OH)(PO4)3 = 5.000Ca+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O + log_k 14.350 #84NAN + delta_h -178.487 #kJ/mol + # Enthalpy of formation: -6730.143 #kJ/mol + -analytic -1.69195E+1 0E+0 9.32301E+3 0E+0 0E+0 + +Illite-Al +K0.85Al2.85Si3.15O10(OH)2 = 0.850K+ + 2.850Al+3 - 9.400H+ + 3.150H4(SiO4) - 0.600H2O + log_k 10.130 + delta_h -252.452 #kJ/mol + # Enthalpy of formation: -5927.57 #kJ/mol #13BLA/VIE + -analytic -3.40976E+1 0E+0 1.31865E+4 0E+0 0E+0 + +Illite-FeII +K0.85Fe0.25Al2.35Si3.4O10(OH)2 = 0.850K+ + 0.250Fe+2 + 2.350Al+3 - 8.400H+ + 3.400H4(SiO4) - 1.600H2O + log_k 7.280 + delta_h -203.311 #kJ/mol + # Enthalpy of formation: -5809.48 #kJ/mol #13BLA/VIE + -analytic -2.83385E+1 0E+0 1.06197E+4 0E+0 0E+0 + +Illite-Mg +K0.85Mg0.25Al2.35Si3.4O10(OH)2 = 0.250Mg+2 + 0.850K+ + 2.350Al+3 - 8.400H+ + 3.400H4(SiO4) - 1.600H2O + log_k 9.690 + delta_h -218.351 #kJ/mol + # Enthalpy of formation: -5888.69 #kJ/mol #13BLA/VIE + -analytic -2.85634E+1 0E+0 1.14053E+4 0E+0 0E+0 + +Illite-Smec_ISCz-1(2.996H2O) +(Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O = 0.218Mg+2 + 0.530K+ + 0.134Na+ + 0.050Fe+3 + 0.017Fe+2 + 2.152Al+3 - 7.740H+ + 3.565H4(SiO4) + 0.736H2O + log_k 13.650 + delta_h -225.171 #kJ/mol + # Enthalpy of formation: -6624.62 #kJ/mol #09GAI + -analytic -2.57982E+1 0E+0 1.17615E+4 0E+0 0E+0 + +Illite/smectiteISCz-1 +(Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 = 0.092Ca+2 + 0.255Mg+2 + 0.439K+ + 0.034Fe+3 + 0.011Fe+2 + 2.169Al+3 - 7.764H+ + 3.559H4(SiO4) - 2.236H2O + log_k 10.900 + delta_h -224.050 #kJ/mol + # Enthalpy of formation: -5787.4 #kJ/mol #14BLA/GAI + -analytic -2.83518E+1 0E+0 1.17029E+4 0E+0 0E+0 + +Illite_Imt-2 +(Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 = 0.241Mg+2 + 0.762K+ + 0.044Na+ + 0.292Fe+3 + 0.084Fe+2 + 2.040Al+3 - 8.452H+ + 3.387H4(SiO4) - 1.548H2O + log_k 11.540 + delta_h -230.806 #kJ/mol + # Enthalpy of formation: -5711.25 #kJ/mol #12GAI/BLA + -analytic -2.88954E+1 0E+0 1.20558E+4 0E+0 0E+0 + +Jaffeite +Ca6(Si2O7)(OH)6 = 6.000Ca+2 - 12.000H+ + 2.000H4(SiO4) + 5.000H2O + log_k 114.060 + delta_h -636.768 #kJ/mol + # Enthalpy of formation: -6972.77 #kJ/mol #10BLA/BOU + -analytic 2.5032E+0 0E+0 3.32607E+4 0E+0 0E+0 + +Jennite +Ca9Si6O16(OH)10:6(H2O) = 9.000Ca+2 - 18.000H+ + 6.000H4(SiO4) + 8.000H2O + log_k 147.330 #10BLA/BOU + delta_h -751.764 #kJ/mol + # Enthalpy of formation: -15189.04 #kJ/mol #10BLA/BOU + -analytic 1.56268E+1 0E+0 3.92673E+4 0E+0 0E+0 + +K(NO3)(s) +K(NO3) = 1.000K+ + 1.000NO3- + log_k -0.100 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1E-1 0E+0 0E+0 0E+0 0E+0 + +K(OH)(s) +K(OH) = 1.000K+ - 1.000H+ + 1.000H2O + log_k 24.600 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0 + +K(TcO4)(s) +K(TcO4) = 1.000K+ + 1.000TcO4- + log_k -2.280 + delta_h 53.560 #kJ/mol + # Enthalpy of formation: -1035.1 #kJ/mol #99RAR/RAN + -analytic 7.1033E+0 0E+0 -2.79763E+3 0E+0 0E+0 + +K(cr) +K = 1.000K+ + 0.500H2O - 1.000H+ - 0.250O2 + log_k 70.985 + delta_h -392.022 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #89COX/WAG + -analytic 2.30588E+0 0E+0 2.04767E+4 0E+0 0E+0 + +K-carbonate +K2CO3:1.5H2O = 2.000K+ + 1.000CO3-2 + 1.500H2O + log_k 3.030 #84HAR/MOL + delta_h -1.188 #kJ/mol + # Enthalpy of formation: -1607.067 #kJ/mol + -analytic 2.82187E+0 0E+0 6.20535E+1 0E+0 0E+0 + +K-trona +K2NaH(CO3)2:2H2O = 2.000K+ + 1.000Na+ + 1.000H+ + 2.000CO3-2 + 2.000H2O + log_k -9.100 #84HAR/MOL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -9.1E+0 0E+0 0E+0 0E+0 0E+0 + +K2CO3(cr) +K2CO3 = 2.000K+ + 1.000CO3-2 + log_k 5.410 + delta_h -31.798 #kJ/mol + # Enthalpy of formation: -1147.712 #kJ/mol + -analytic -1.60762E-1 0E+0 1.66092E+3 0E+0 0E+0 + +K2O(s) +K2O = 2.000K+ - 2.000H+ + 1.000H2O + log_k 84.110 + delta_h -426.940 #kJ/mol + # Enthalpy of formation: -363.17 #kJ/mol #98CHA + -analytic 9.31343E+0 0E+0 2.23006E+4 0E+0 0E+0 + +K4NpO2(CO3)3(s) +K4NpO2(CO3)3 = 4.000K+ + 1.000NpO2+2 + 3.000CO3-2 + log_k -26.400 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.64E+1 0E+0 0E+0 0E+0 0E+0 + +KAl(SO4)2(s) +KAl(SO4)2 = 1.000K+ + 1.000Al+3 + 2.000SO4-2 + log_k 3.740 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.74E+0 0E+0 0E+0 0E+0 0E+0 + +KAl(SO4)2:12H2O(s) +KAl(SO4)2:12H2O = 1.000K+ + 1.000Al+3 + 2.000SO4-2 + 12.000H2O + log_k -6.680 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.68E+0 0E+0 0E+0 0E+0 0E+0 + +KBr(s) +KBr = 1.000K+ + 1.000Br- + log_k 1.130 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.13E+0 0E+0 0E+0 0E+0 0E+0 + +KFe(CrO4)2:2H2O(s) +KFe(CrO4)2:2H2O = 1.000K+ + 1.000Fe+3 + 2.000CrO4-2 + 2.000H2O + log_k -19.390 #98BAR/PAL + delta_h 27.540 #kJ/mol #85BAR/PAL + # Enthalpy of formation: -2658.34 #kJ/mol + -analytic -1.45652E+1 0E+0 -1.43851E+3 0E+0 0E+0 + +KFe3(CrO4)2(OH)6(cr) +KFe3(CrO4)2(OH)6 = 1.000K+ + 3.000Fe+3 - 6.000H+ + 2.000CrO4-2 + 6.000H2O + log_k -18.400 #95BAR/PAL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.84E+1 0E+0 0E+0 0E+0 0E+0 + +KH2PO4(cr) +KH2PO4 = 1.000K+ + 1.000H2(PO4)- + log_k -0.370 + delta_h 19.686 #kJ/mol #74NAU/RYZ + # Enthalpy of formation: -1574.426 #kJ/mol + -analytic 3.07883E+0 0E+0 -1.02827E+3 0E+0 0E+0 + +KI(s) +KI = 1.000K+ + 1.000I- + log_k 1.740 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.74E+0 0E+0 0E+0 0E+0 0E+0 + +Kainite +KMgCl(SO4):3H2O = 1.000Mg+2 + 1.000K+ + 1.000SO4-2 + 1.000Cl- + 3.000H2O + log_k -0.190 #84HAR/MOL + delta_h -12.950 #kJ/mol + # Enthalpy of formation: -2640.1 #kJ/mol #82WAG/EVA + -analytic -2.45874E+0 0E+0 6.76425E+2 0E+0 0E+0 + +Kalicinite +KHCO3 = 1.000K+ + 1.000H+ + 1.000CO3-2 + log_k -10.060 #84HAR/MOL + delta_h 34.950 #kJ/mol + # Enthalpy of formation: -962.32 #kJ/mol #74NAU/RYZ + -analytic -3.93703E+0 0E+0 -1.82556E+3 0E+0 0E+0 + +Kaolinite +Al2(Si2O5)(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O + log_k 6.510 + delta_h -169.718 #kJ/mol + # Enthalpy of formation: -4115.3 #kJ/mol #01FIA/NAV + -analytic -2.32233E+1 0E+0 8.86498E+3 0E+0 0E+0 + +Katoite +Ca3Al2(SiO4)(OH)8 = 3.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000H4(SiO4) + 8.000H2O + log_k 71.160 #10BLA/BOU + delta_h -545.657 #kJ/mol + # Enthalpy of formation: -5907.977 #kJ/mol + -analytic -2.44349E+1 0E+0 2.85016E+4 0E+0 0E+0 + +Lanarkite +PbSO4:PbO = 2.000Pb+2 - 2.000H+ + 1.000SO4-2 + 1.000H2O + log_k 2.630 #82ABD/THO + delta_h -39.234 #kJ/mol + # Enthalpy of formation: -1154.096 #kJ/mol + -analytic -4.24349E+0 0E+0 2.04933E+3 0E+0 0E+0 + +Lansfordite +Mg(CO3):5H2O = 1.000Mg+2 + 1.000CO3-2 + 5.000H2O + log_k -5.040 + delta_h 2.890 #kJ/mol + # Enthalpy of formation: -2574.27 #kJ/mol #99KON/KON + -analytic -4.53369E+0 0E+0 -1.50955E+2 0E+0 0E+0 + +Laumontite +CaAl2Si4O12:4H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) + log_k 11.700 + delta_h -213.576 #kJ/mol + # Enthalpy of formation: -7251 #kJ/mol #96KIS/NAV + -analytic -2.57169E+1 0E+0 1.11558E+4 0E+0 0E+0 + +Laurionite +PbClOH = 1.000Pb+2 - 1.000H+ + 1.000Cl- + 1.000H2O + log_k 0.620 #99LOT/OCH + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.2E-1 0E+0 0E+0 0E+0 0E+0 + +Lawrencite +FeCl2 = 1.000Fe+2 + 2.000Cl- + log_k 8.890 + delta_h -82.460 #kJ/mol + # Enthalpy of formation: -341.7 #kJ/mol #95ROB/HEM + -analytic -5.55635E+0 0E+0 4.30718E+3 0E+0 0E+0 + +Leonhardtite +MgSO4:4H2O = 1.000Mg+2 + 1.000SO4-2 + 4.000H2O + log_k -0.890 #80HAR/WEA + delta_h -24.030 #kJ/mol + # Enthalpy of formation: -2495.63 #kJ/mol #74NAU/RYZ + -analytic -5.09987E+0 0E+0 1.25517E+3 0E+0 0E+0 + +Leonite +K2Mg(SO4)2:4H2O = 1.000Mg+2 + 2.000K+ + 2.000SO4-2 + 4.000H2O + log_k -3.980 #84HAR/MOL + delta_h 15.290 #kJ/mol + # Enthalpy of formation: -3948.57 #kJ/mol #74NAU/RYZ + -analytic -1.30131E+0 0E+0 -7.98651E+2 0E+0 0E+0 + +Lepidocrocite +FeOOH = 1.000Fe+3 - 3.000H+ + 2.000H2O + log_k 0.750 #98DIA in 98CHI + delta_h -64.260 #kJ/mol + # Enthalpy of formation: -556.4 #kJ/mol + -analytic -1.05079E+1 0E+0 3.35653E+3 0E+0 0E+0 + +Linnaeite +Co3S4 = 3.000Co+2 - 2.000H+ + 4.000HS- - 1.000H2O + 0.500O2 + log_k -85.750 + delta_h 416.263 #kJ/mol + # Enthalpy of formation: -374.5 #kJ/mol #95ROB/HEM + -analytic -1.2824E+1 0E+0 -2.17429E+4 0E+0 0E+0 + +Litharge +PbO = 1.000Pb+2 - 2.000H+ + 1.000H2O + log_k 12.630 + delta_h -65.501 #kJ/mol + # Enthalpy of formation: -219.409 #kJ/mol #98CHA + -analytic 1.15473E+0 0E+0 3.42135E+3 0E+0 0E+0 + +Lizardite +Mg3Si2O5(OH)4 = 3.000Mg+2 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O + log_k 33.100 + delta_h -247.218 #kJ/mol + # Enthalpy of formation: -4362 #kJ/mol #04EVA + -analytic -1.02107E+1 0E+0 1.29131E+4 0E+0 0E+0 + +Mackinawite +FeS = 1.000Fe+2 - 1.000H+ + 1.000HS- + log_k -3.600 #91DAV + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.6E+0 0E+0 0E+0 0E+0 0E+0 + +Maghemite(disord) +Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O + log_k 3.310 #98DIA in 98CHI + delta_h -149.690 #kJ/mol + # Enthalpy of formation: -805.8 #kJ/mol + -analytic -2.29145E+1 0E+0 7.81884E+3 0E+0 0E+0 + +Maghemite(ord) +Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O + log_k 3.520 #98DIA in 98CHI + delta_h -149.690 #kJ/mol + # Enthalpy of formation: -805.8 #kJ/mol + -analytic -2.27045E+1 0E+0 7.81884E+3 0E+0 0E+0 + +Magnesite(nat) +MgCO3 = 1.000Mg+2 + 1.000CO3-2 + log_k -8.910 + delta_h -24.290 #kJ/mol + # Enthalpy of formation: -1117.94 #kJ/mol #99KON/KON + -analytic -1.31654E+1 0E+0 1.26875E+3 0E+0 0E+0 + +Magnesite(syn) +Mg(CO3) = 1.000Mg+2 + 1.000CO3-2 + log_k -8.100 + delta_h -28.930 #kJ/mol + # Enthalpy of formation: -1113.3 #kJ/mol #95ROB/HEM + -analytic -1.31683E+1 0E+0 1.51112E+3 0E+0 0E+0 + +Magnetite +Fe3O4 = 2.000Fe+3 + 1.000Fe+2 - 8.000H+ + 4.000H2O + log_k 10.410 + delta_h -215.920 #kJ/mol + # Enthalpy of formation: -1115.4 #kJ/mol #88ONE + -analytic -2.74175E+1 0E+0 1.12783E+4 0E+0 0E+0 + +Manganite +MnOOH = 1.000Mn+2 - 2.000H+ + 1.500H2O + 0.250O2 + log_k 3.775 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.775E+0 0E+0 0E+0 0E+0 0E+0 + +Margarite +CaAl4Si2O10(OH)2 = 1.000Ca+2 + 4.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O + log_k 37.000 + delta_h -518.308 #kJ/mol + # Enthalpy of formation: -6244 #kJ/mol #95ROB/HEM + -analytic -5.38035E+1 0E+0 2.70731E+4 0E+0 0E+0 + +Massicot +PbO = 1.000Pb+2 - 2.000H+ + 1.000H2O + log_k 12.740 + delta_h -66.848 #kJ/mol + # Enthalpy of formation: -218.062 #kJ/mol #98CHA + -analytic 1.02875E+0 0E+0 3.49171E+3 0E+0 0E+0 + +Melanterite +FeSO4:7H2O = 1.000Fe+2 + 1.000SO4-2 + 7.000H2O + log_k -2.210 #90NOR/PLU + delta_h 20.543 #kJ/mol + # Enthalpy of formation: -3020.693 #kJ/mol + -analytic 1.38897E+0 0E+0 -1.07303E+3 0E+0 0E+0 + +Mercallite +KHSO4 = 1.000K+ + 1.000H+ + 1.000SO4-2 + log_k -1.400 #84HAR/MOL + delta_h -0.590 #kJ/mol + # Enthalpy of formation: -1160.89 #kJ/mol #74NAU/RYZ + -analytic -1.50336E+0 0E+0 3.08178E+1 0E+0 0E+0 + +Merlinoite_K +K1.04Al1.04Si1.96O6:1.69H2O = 1.040K+ + 1.040Al+3 - 4.160H+ + 1.960H4(SiO4) - 0.150H2O + log_k 9.490 + delta_h -105.627 #kJ/mol + # Enthalpy of formation: -3537.6 #kJ/mol #09BLA + -analytic -9.01503E+0 0E+0 5.51727E+3 0E+0 0E+0 + +Merlinoite_Na +Na1.04Al1.04Si1.96O6:2.27H2O = 1.040Na+ + 1.040Al+3 - 4.160H+ + 1.960H4(SiO4) + 0.430H2O + log_k 10.300 + delta_h -115.307 #kJ/mol + # Enthalpy of formation: -3681.43 #kJ/mol #09BLA + -analytic -9.90089E+0 0E+0 6.0229E+3 0E+0 0E+0 + +Mg(HPO4):3H2O(s) +Mg(HPO4):3H2O = 1.000Mg+2 - 1.000H+ + 1.000H2(PO4)- + 3.000H2O + log_k 1.410 #01WEN/MUS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.41E+0 0E+0 0E+0 0E+0 0E+0 + +Mg(NO3)2(s) +Mg(NO3)2 = 1.000Mg+2 + 2.000NO3- + log_k 15.500 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.55E+1 0E+0 0E+0 0E+0 0E+0 + +Mg(NO3)2:6H2O(s) +Mg(NO3)2:6H2O = 1.000Mg+2 + 2.000NO3- + 6.000H2O + log_k 2.580 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.58E+0 0E+0 0E+0 0E+0 0E+0 + +Mg(SO4)(s) +Mg(SO4) = 1.000Mg+2 + 1.000SO4-2 + log_k 9.100 + delta_h -114.550 #kJ/mol + # Enthalpy of formation: -1261.79 #kJ/mol #98CHA + -analytic -1.09683E+1 0E+0 5.98335E+3 0E+0 0E+0 + +Mg(SO4):H2O(s) +Mg(SO4):H2O = 1.000Mg+2 + 1.000SO4-2 + 1.000H2O + log_k -0.120 #84HAR/MOL + delta_h -51.464 #kJ/mol + # Enthalpy of formation: -1610.706 #kJ/mol + -analytic -9.13609E+0 0E+0 2.68815E+3 0E+0 0E+0 + +Mg(SeO3):6H2O(s) +Mg(SeO3):6H2O = 1.000Mg+2 + 1.000SeO3-2 + 6.000H2O + log_k -5.820 #05OLI/NOL + delta_h 18.070 #kJ/mol + # Enthalpy of formation: -2707.21 #kJ/mol #05OLI/NOL + -analytic -2.65428E+0 0E+0 -9.4386E+2 0E+0 0E+0 + +Mg(SeO4):6H2O(s) +Mg(SeO4):6H2O = 1.000Mg+2 + 1.000SeO4-2 + 6.000H2O + log_k -1.133 #05OLI/NOL + delta_h -4.080 #kJ/mol + # Enthalpy of formation: -2781.4 #kJ/mol #05OLI/NOL + -analytic -1.84778E+0 0E+0 2.13113E+2 0E+0 0E+0 + +Mg(cr) +Mg = 1.000Mg+2 + 1.000H2O - 2.000H+ - 0.500O2 + log_k 122.770 + delta_h -746.763 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #89COX/WAG + -analytic -8.05707E+0 0E+0 3.90061E+4 0E+0 0E+0 + +Mg-oxychlorur +Mg2Cl(OH)3:4H2O = 2.000Mg+2 - 3.000H+ + 1.000Cl- + 7.000H2O + log_k 26.030 #84HAR/MOL + delta_h -154.690 #kJ/mol + # Enthalpy of formation: -2947.2 #kJ/mol #82WAG/EVA + -analytic -1.07048E+0 0E+0 8.08001E+3 0E+0 0E+0 + +Mg3(PO4)2(cr) +Mg3(PO4)2 = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- + log_k 15.820 #68RAC/SOP + delta_h -214.093 #kJ/mol + # Enthalpy of formation: -3792.107 #kJ/mol + -analytic -2.16874E+1 0E+0 1.11828E+4 0E+0 0E+0 + +Mg3(PO4)2:22H2O(s) +Mg3(PO4)2:22H2O = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- + 22.000H2O + log_k 16.000 #63TAY/FRA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0 + +Mg3(PO4)2:8H2O(s) +Mg3(PO4)2:8H2O = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- + 8.000H2O + log_k 13.900 #63TAY/FRA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0 + +Mg5(CO3)4(OH)2:4H2O(s) +Mg5(CO3)4(OH)2:4H2O = 5.000Mg+2 - 2.000H+ + 4.000CO3-2 + 6.000H2O + log_k -10.310 + delta_h -234.900 #kJ/mol + # Enthalpy of formation: -6516 #kJ/mol #73ROB/HEM + -analytic -5.14627E+1 0E+0 1.22697E+4 0E+0 0E+0 + +MgBr2(s) +MgBr2 = 1.000Mg+2 + 2.000Br- + log_k 27.800 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.78E+1 0E+0 0E+0 0E+0 0E+0 + +MgBr2:6H2O(s) +MgBr2:6H2O = 1.000Mg+2 + 2.000Br- + 6.000H2O + log_k 5.220 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.22E+0 0E+0 0E+0 0E+0 0E+0 + +MgCl2(s) +MgCl2 = 1.000Mg+2 + 2.000Cl- + log_k 22.030 + delta_h -159.540 #kJ/mol + # Enthalpy of formation: -641.62 #kJ/mol #98CHA + -analytic -5.92017E+0 0E+0 8.33334E+3 0E+0 0E+0 + +MgCl2:2H2O(s) +MgCl2:2H2O = 1.000Mg+2 + 2.000Cl- + 2.000H2O + log_k 12.900 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0 + +MgCl2:4H2O(s) +MgCl2:4H2O = 1.000Mg+2 + 2.000Cl- + 4.000H2O + log_k 7.440 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7.44E+0 0E+0 0E+0 0E+0 0E+0 + +MgCl2:H2O(s) +MgCl2:H2O = 1.000Mg+2 + 2.000Cl- + 1.000H2O + log_k 16.220 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.622E+1 0E+0 0E+0 0E+0 0E+0 + +MgCrO4(s) +MgCrO4 = 1.000Mg+2 + 1.000CrO4-2 + log_k -86.990 + delta_h 437.600 #kJ/mol + # Enthalpy of formation: -1783.6 #kJ/mol #95ROB/HEM + -analytic -1.03259E+1 0E+0 -2.28574E+4 0E+0 0E+0 + +MgF2(cr) +MgF2 = 1.000Mg+2 + 2.000F- + log_k -9.220 #92GRE/FUG + delta_h -13.500 #kJ/mol + # Enthalpy of formation: -1124.2 #kJ/mol + -analytic -1.15851E+1 0E+0 7.05153E+2 0E+0 0E+0 + +MgI2(s) +MgI2 = 1.000Mg+2 + 2.000I- + log_k 35.000 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.5E+1 0E+0 0E+0 0E+0 0E+0 + +MgMoO4(s) +MgMoO4 = 1.000Mg+2 + 1.000MoO4-2 + log_k -0.640 + delta_h -62.967 #kJ/mol + # Enthalpy of formation: -1401.033 #kJ/mol + -analytic -1.16713E+1 0E+0 3.28899E+3 0E+0 0E+0 + +Microcline +KAlSi3O8 = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O + log_k 0.050 + delta_h -56.463 #kJ/mol + # Enthalpy of formation: -3974.34 #kJ/mol #99ARN/STE + -analytic -9.84188E+0 0E+0 2.94926E+3 0E+0 0E+0 + +Millerite +NiS = 1.000Ni+2 - 1.000H+ + 1.000HS- + log_k -10.130 + delta_h 22.688 #kJ/mol + # Enthalpy of formation: -94 #kJ/mol #05GAM/BUG + -analytic -6.15524E+0 0E+0 -1.18508E+3 0E+0 0E+0 + +Minium +Pb3O4 = 3.000Pb+2 - 6.000H+ + 3.000H2O + 0.500O2 + log_k 30.540 + delta_h -142.111 #kJ/mol + # Enthalpy of formation: -718.686 #kJ/mol + -analytic 5.64326E+0 0E+0 7.42296E+3 0E+0 0E+0 + +Minnesotaite +Fe3Si4O10(OH)2 = 3.000Fe+2 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O + log_k 14.930 + delta_h -148.466 #kJ/mol + # Enthalpy of formation: -4822.99 #kJ/mol #83MIY/KLE + -analytic -1.10801E+1 0E+0 7.75491E+3 0E+0 0E+0 + +Mirabilite +Na2SO4:10H2O = 2.000Na+ + 1.000SO4-2 + 10.000H2O + log_k -1.230 #84HAR/MOL + delta_h 79.471 #kJ/mol + # Enthalpy of formation: -4327.791 #kJ/mol + -analytic 1.26927E+1 0E+0 -4.15105E+3 0E+0 0E+0 + +Mn(H2SiO4)(s) +Mn(H2SiO4) = 1.000Mn+2 - 2.000H+ + 1.000H4(SiO4) + log_k 12.440 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.244E+1 0E+0 0E+0 0E+0 0E+0 + +Mn(HPO4)(s) +Mn(HPO4) = 1.000Mn+2 - 1.000H+ + 1.000H2(PO4)- + log_k -5.740 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.74E+0 0E+0 0E+0 0E+0 0E+0 + +Mn(SO4)(s) +Mn(SO4) = 1.000Mn+2 + 1.000SO4-2 + log_k -2.680 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.68E+0 0E+0 0E+0 0E+0 0E+0 + +Mn(SeO3):2H2O(cr) +Mn(SeO3):2H2O = 1.000Mn+2 + 1.000SeO3-2 + 2.000H2O + log_k -7.600 #05OLI/NOL + delta_h -18.920 #kJ/mol + # Enthalpy of formation: -1280.7 #kJ/mol #05OLI/NOL + -analytic -1.09146E+1 0E+0 9.88259E+2 0E+0 0E+0 + +Mn2(Pyrophos)(s) +Mn2(Pyrophos) = 2.000Mn+2 + 1.000Pyrophos-4 + log_k -19.500 #88CHA/NEW + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.95E+1 0E+0 0E+0 0E+0 0E+0 + +Mn3(PO4)2(s) +Mn3(PO4)2 = 3.000Mn+2 - 4.000H+ + 2.000H2(PO4)- + log_k 15.320 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.532E+1 0E+0 0E+0 0E+0 0E+0 + +Mn3(PO4)2:3H2O(s) +Mn3(PO4)2:3H2O = 3.000Mn+2 - 4.000H+ + 2.000H2(PO4)- + 3.000H2O + log_k 2.320 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.32E+0 0E+0 0E+0 0E+0 0E+0 + +MnCl2:2H2O(s) +MnCl2:2H2O = 1.000Mn+2 + 2.000Cl- + 2.000H2O + log_k 3.980 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.98E+0 0E+0 0E+0 0E+0 0E+0 + +MnCl2:4H2O(s) +MnCl2:4H2O = 1.000Mn+2 + 2.000Cl- + 4.000H2O + log_k 2.710 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.71E+0 0E+0 0E+0 0E+0 0E+0 + +MnCl2:H2O(s) +MnCl2:H2O = 1.000Mn+2 + 2.000Cl- + 1.000H2O + log_k 5.530 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.53E+0 0E+0 0E+0 0E+0 0E+0 + +MnO(s) +MnO = 1.000Mn+2 - 2.000H+ + 1.000H2O + log_k 17.900 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.79E+1 0E+0 0E+0 0E+0 0E+0 + +MnO2(s) +MnO2 = 1.000Mn+2 - 2.000H+ + 1.000H2O + 0.500O2 + log_k -0.990 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -0.99E+0 0E+0 0E+0 0E+0 0E+0 + +MnSe(alfa) +MnSe = 1.000Mn+2 - 1.000H+ + 1.000HSe- + log_k 0.300 + delta_h -28.579 #kJ/mol + # Enthalpy of formation: -177.921 #kJ/mol + -analytic -4.70682E+0 0E+0 1.49278E+3 0E+0 0E+0 + +MnSe2(cr) +MnSe2 = 1.000Mn+2 + 2.000HSe- - 1.000H2O + 0.500O2 + log_k -51.140 + delta_h 268.063 #kJ/mol + # Enthalpy of formation: -180.5 #kJ/mol #05OLI/NOL + -analytic -4.17745E+0 0E+0 -1.40019E+4 0E+0 0E+0 + +Mo(s) +Mo = 2.000H+ + 1.000MoO4-2 - 1.000H2O - 1.500O2 + log_k 109.390 + delta_h -692.969 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA + -analytic -1.20128E+1 0E+0 3.61962E+4 0E+0 0E+0 + +Mo3O8(s) +Mo3O8 = 6.000H+ + 3.000MoO4-2 - 3.000H2O - 0.500O2 + log_k -20.570 + #delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.0570E+1 0E+0 0E+0 0E+0 0E+0 + +MoO2(s) +MoO2 = 2.000H+ + 1.000MoO4-2 - 1.000H2O - 0.500O2 + log_k 13.110 + delta_h -117.246 #kJ/mol + # Enthalpy of formation: -587.857 #kJ/mol + -analytic -7.43059E+0 0E+0 6.12418E+3 0E+0 0E+0 + +MoO3(s) +MoO3 = 2.000H+ + 1.000MoO4-2 - 1.000H2O + log_k -11.980 + delta_h 34.001 #kJ/mol + # Enthalpy of formation: -745.171 #kJ/mol + -analytic -6.02329E+0 0E+0 -1.77599E+3 0E+0 0E+0 + +MoS2(s) +MoS2 = 4.000H+ + 2.000HS- + 1.000MoO4-2 - 3.000H2O - 0.500O2 + log_k -26.920 + delta_h 105.752 #kJ/mol + # Enthalpy of formation: -271.795 #kJ/mol + -analytic -8.39307E+0 0E+0 -5.5238E+3 0E+0 0E+0 + +MoS3(s) +MoS3 = 5.000H+ + 3.000HS- + 1.000MoO4-2 - 4.000H2O + log_k -68.070 + delta_h 354.849 #kJ/mol + # Enthalpy of formation: -257.429 #kJ/mol + -analytic -5.90321E+0 0E+0 -1.8535E+4 0E+0 0E+0 + +Monocarboaluminate +(CaO)3Al2O3:CaCO3:10.68H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000CO3-2 + 16.680H2O + log_k 70.300 #95DAM/GLA + delta_h -515.924 #kJ/mol + # Enthalpy of formation: -8175.75 #kJ/mol #10BLA/BOU + -analytic -2.00859E+1 0E+0 2.69485E+4 0E+0 0E+0 + +Monosulfate-Fe +Ca4Fe2(SO4)(OH)12:6H2O = 4.000Ca+2 + 2.000Fe+3 - 12.000H+ + 1.000SO4-2 + 18.000H2O + log_k 66.050 #10BLA/BOU + delta_h -477.312 #kJ/mol + # Enthalpy of formation: -7846.968 #kJ/mol + -analytic -1.75714E+1 0E+0 2.49317E+4 0E+0 0E+0 + +Monosulfoaluminate +Ca4Al2(SO4)(OH)12:6H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000SO4-2 + 18.000H2O + log_k 73.070 #10BLA/BOU + delta_h -539.400 #kJ/mol + # Enthalpy of formation: -8763.68 #kJ/mol #10BLA/BOU + -analytic -2.14287E+1 0E+0 2.81748E+4 0E+0 0E+0 + +Montmorillonite-BCCa +Ca0.17Mg0.34Al1.66Si4O10(OH)2 = 0.170Ca+2 + 0.340Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O + log_k 5.020 + delta_h -160.060 #kJ/mol + # Enthalpy of formation: -5686.23 #kJ/mol #13BLA/VIE + -analytic -2.30213E+1 0E+0 8.3605E+3 0E+0 0E+0 + +Montmorillonite-BCK +K0.34Mg0.34Al1.66Si4O10(OH)2 = 0.340Mg+2 + 0.340K+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O + log_k 2.510 + delta_h -134.338 #kJ/mol + # Enthalpy of formation: -5705.37 #kJ/mol #13BLA/VIE + -analytic -2.1025E+1 0E+0 7.01695E+3 0E+0 0E+0 + +Montmorillonite-BCMg +Mg0.17Mg0.34Al1.66Si4O10(OH)2 = 0.510Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O + log_k 5.240 + delta_h -160.080 #kJ/mol + # Enthalpy of formation: -5673.29 #kJ/mol #13BLA/VIE + -analytic -2.28048E+1 0E+0 8.36155E+3 0E+0 0E+0 + +Montmorillonite-BCNa +Na0.34Mg0.34Al1.66Si4O10(OH)2 = 0.340Mg+2 + 0.340Na+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O + log_k 3.300 + delta_h -144.656 #kJ/mol + # Enthalpy of formation: -5691.04 #kJ/mol #13BLA/VIE + -analytic -2.20426E+1 0E+0 7.5559E+3 0E+0 0E+0 + +Montmorillonite-HCCa +Ca0.3Mg0.6Al1.4Si4O10(OH)2 = 0.300Ca+2 + 0.600Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O + log_k 9.000 + delta_h -175.636 #kJ/mol + # Enthalpy of formation: -5722.68 #kJ/mol #13BLA/VIE + -analytic -2.17701E+1 0E+0 9.17409E+3 0E+0 0E+0 + +Montmorillonite-HCK +K0.6Mg0.6Al1.4Si4O10(OH)2 = 0.600Mg+2 + 0.600K+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O + log_k 4.680 + delta_h -130.240 #kJ/mol + # Enthalpy of formation: -5756.46 #kJ/mol #13BLA/VIE + -analytic -1.8137E+1 0E+0 6.8029E+3 0E+0 0E+0 + +Montmorillonite-HCMg +Mg0.3Mg0.6Al1.4Si4O10(OH)2 = 0.900Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O + log_k 9.390 + delta_h -175.686 #kJ/mol + # Enthalpy of formation: -5699.83 #kJ/mol #13BLA/VIE + -analytic -2.13888E+1 0E+0 9.17671E+3 0E+0 0E+0 + +Montmorillonite-HCNa +Na0.6Mg0.6Al1.4Si4O10(OH)2 = 0.600Mg+2 + 0.600Na+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O + log_k 6.070 + delta_h -148.460 #kJ/mol + # Enthalpy of formation: -5731.16 #kJ/mol #13BLA/VIE + -analytic -1.9939E+1 0E+0 7.75459E+3 0E+0 0E+0 + +Mordenite_Ca +Ca0.515Al1.03Si4.97O12:3.1H2O = 0.515Ca+2 + 1.030Al+3 - 4.120H+ + 4.970H4(SiO4) - 4.780H2O + log_k -2.920 #09BLA + delta_h -74.768 #kJ/mol + # Enthalpy of formation: -6655.295 #kJ/mol + -analytic -1.60188E+1 0E+0 3.9054E+3 0E+0 0E+0 + +Mordenite_Oregon +Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O = 0.289Ca+2 + 0.362Na+ + 0.940Al+3 - 3.760H+ + 5.060H4(SiO4) - 4.772H2O + log_k -4.160 + delta_h -41.247 #kJ/mol + # Enthalpy of formation: -6738.44 #kJ/mol #92JOH/TAS + -analytic -1.13862E+1 0E+0 2.15448E+3 0E+0 0E+0 + +Muscovite +KAl3Si3O10(OH)2 = 1.000K+ + 3.000Al+3 - 10.000H+ + 3.000H4(SiO4) + log_k 13.040 + delta_h -276.122 #kJ/mol + # Enthalpy of formation: -5974.8 #kJ/mol #95HAS/CYG + -analytic -3.53344E+1 0E+0 1.44228E+4 0E+0 0E+0 + +Na(NO3)(s) +Na(NO3) = 1.000Na+ + 1.000NO3- + log_k 1.090 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.09E+0 0E+0 0E+0 0E+0 0E+0 + +Na(TcO4):4H2O(s) +Na(TcO4):4H2O = 1.000Na+ + 1.000TcO4- + 4.000H2O + log_k 0.790 #99RAR/RAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 7.9E-1 0E+0 0E+0 0E+0 0E+0 + +Na(cr) +Na = 1.000Na+ + 0.500H2O - 1.000H+ - 0.250O2 + log_k 67.385 + delta_h -380.222 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG (89COX/WAG) + -analytic 7.7315E-1 0E+0 1.98603E+4 0E+0 0E+0 + +Na2(CO3)(cr) +Na2(CO3) = 2.000Na+ + 1.000CO3-2 + log_k 1.120 + delta_h -26.710 #kJ/mol + # Enthalpy of formation: -1129.2 #kJ/mol #95ROB/HEM + -analytic -3.55938E+0 0E+0 1.39516E+3 0E+0 0E+0 + +Na2B4O7(cr) +Na2B4O7 = 2.000Na+ + 2.000H+ + 4.000B(OH)4- - 9.000H2O + log_k -16.060 + delta_h 2.534 #kJ/mol + # Enthalpy of formation: -3291.208 #kJ/mol + -analytic -1.56161E+1 0E+0 -1.3236E+2 0E+0 0E+0 + +Na2B4O7:10H2O(s) +Na2B4O7:10H2O = 2.000Na+ + 2.000H+ + 4.000B(OH)4- + 1.000H2O + log_k -24.580 + delta_h 141.721 #kJ/mol + # Enthalpy of formation: -6288.445 #kJ/mol + -analytic 2.48417E-1 0E+0 -7.40259E+3 0E+0 0E+0 + +Na2CO3:7H2O(s) +Na2CO3:7H2O = 2.000Na+ + 1.000CO3-2 + 7.000H2O + log_k -0.460 #84HAR/MOL + delta_h 42.682 #kJ/mol + # Enthalpy of formation: -3199.402 #kJ/mol + -analytic 7.01755E+0 0E+0 -2.22943E+3 0E+0 0E+0 + +Na2HPO4(cr) +Na2HPO4 = 2.000Na+ - 1.000H+ + 1.000H2(PO4)- + log_k 9.240 + delta_h -35.180 #kJ/mol + # Enthalpy of formation: -1748.1 #kJ/mol #82WAG/EVA + -analytic 3.07674E+0 0E+0 1.83758E+3 0E+0 0E+0 + +Na2O(cr) +Na2O = 2.000Na+ - 2.000H+ + 1.000H2O + log_k 67.460 + delta_h -351.710 #kJ/mol + # Enthalpy of formation: -414.8 #kJ/mol #95ROB/HEM + -analytic 5.84314E+0 0E+0 1.83711E+4 0E+0 0E+0 + +Na2ZrSi2O7(cr) +Na2ZrSi2O7 = 2.000Na+ - 6.000H+ + 2.000H4(SiO4) + 1.000Zr+4 - 1.000H2O + log_k 3.740 + delta_h -119.738 #kJ/mol + # Enthalpy of formation: -3606 #kJ/mol #05BRO/CUR + -analytic -1.72372E+1 0E+0 6.25434E+3 0E+0 0E+0 + +Na2ZrSi3O9:2H2O(cr) +Na2ZrSi3O9:2H2O = 2.000Na+ - 6.000H+ + 3.000H4(SiO4) + 1.000Zr+4 - 1.000H2O + log_k 15.580 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.558E+1 0E+0 0E+0 0E+0 0E+0 + +Na2ZrSi4O11(cr) +Na2ZrSi4O11 = 2.000Na+ - 6.000H+ + 4.000H4(SiO4) + 1.000Zr+4 - 5.000H2O + log_k -13.560 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.356E+1 0E+0 0E+0 0E+0 0E+0 + +Na2ZrSi6O15:3H2O(cr) +Na2ZrSi6O15:3H2O = 2.000Na+ - 6.000H+ + 6.000H4(SiO4) + 1.000Zr+4 - 6.000H2O + log_k 16.460 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.646E+1 0E+0 0E+0 0E+0 0E+0 + +Na2ZrSiO5(cr) +Na2ZrSiO5 = 2.000Na+ - 6.000H+ + 1.000H4(SiO4) + 1.000Zr+4 + 1.000H2O + log_k 13.190 + delta_h -166.204 #kJ/mol + # Enthalpy of formation: -2670 #kJ/mol #05BRO/CUR + -analytic -1.59276E+1 0E+0 8.68143E+3 0E+0 0E+0 + +Na3PO4(cr) +Na3PO4 = 3.000Na+ - 2.000H+ + 1.000H2(PO4)- + log_k 23.520 + delta_h -106.218 #kJ/mol + # Enthalpy of formation: -1917.402 #kJ/mol #74NAU/RIZ + -analytic 4.91143E+0 0E+0 5.54814E+3 0E+0 0E+0 + +Na4Zr2Si3O12(cr) +Na4Zr2Si3O12 = 4.000Na+ - 12.000H+ + 3.000H4(SiO4) + 2.000Zr+4 + log_k 15.510 + delta_h -276.942 #kJ/mol + # Enthalpy of formation: -6285 #kJ/mol #05BRO/CUR + -analytic -3.30081E+1 0E+0 1.44657E+4 0E+0 0E+0 + +Na6Th(CO3)5:12H2O(cr) +Na6Th(CO3)5:12H2O = 6.000Na+ + 1.000Th+4 + 5.000CO3-2 + 12.000H2O + log_k -42.200 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.22E+1 0E+0 0E+0 0E+0 0E+0 + +NaAmO2CO3(s) +NaAmO2CO3 = 1.000Na+ + 1.000AmO2+ + 1.000CO3-2 + log_k -10.900 #94GIF, 94RUN/KIM, 94RUN/NEU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.09E+1 0E+0 0E+0 0E+0 0E+0 + +NaBO2(s) +NaBO2 = 1.000Na+ + 1.000B(OH)4- - 2.000H2O + log_k 3.620 + delta_h -36.790 #kJ/mol + # Enthalpy of formation: -977.006 #kJ/mol + -analytic -2.82532E+0 0E+0 1.92167E+3 0E+0 0E+0 + +NaCm(CO3)2:5H2O(s) +NaCm(CO3)2:5H2O = 1.000Na+ + 2.000CO3-2 + 1.000Cm+3 + 5.000H2O + log_k -21.000 #estimated by correlation with Ln(III) and An(III) + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0 + +NaEu(CO3)2:5H2O(s) +NaEu(CO3)2:5H2O = 1.000Na+ + 1.000Eu+3 + 2.000CO3-2 + 5.000H2O + log_k -20.900 #05VER/VIT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.09E+1 0E+0 0E+0 0E+0 0E+0 + +NaF(s) +NaF = 1.000Na+ + 1.000F- + log_k -0.480 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.8E-1 0E+0 0E+0 0E+0 0E+0 + +NaH2PO4(cr) +NaH2PO4 = 1.000Na+ + 1.000H2(PO4)- + log_k 2.300 + delta_h -6.140 #kJ/mol + # Enthalpy of formation: -1536.8 #kJ/mol #82WAG/EVA + -analytic 1.22432E+0 0E+0 3.20714E+2 0E+0 0E+0 + +NaHo(CO3)2:5H2O(s) +NaHo(CO3)2:5H2O = 1.000Na+ + 1.000Ho+3 + 2.000CO3-2 + 5.000H2O + log_k -20.500 #Estimated by ionic radii correlation + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.05E+1 0E+0 0E+0 0E+0 0E+0 + +NaNbO3(s) +NaNbO3 = 1.000Na+ + 1.000Nb(OH)6- - 3.000H2O + log_k -3.660 + delta_h 7.504 #kJ/mol + # Enthalpy of formation: -1316.013 #kJ/mol + -analytic -2.34536E+0 0E+0 -3.91961E+2 0E+0 0E+0 + +NaSm(CO3)2:5H2O(s) +NaSm(CO3)2:5H2O = 1.000Na+ + 1.000Sm+3 + 2.000CO3-2 + 5.000H2O + log_k -20.990 #Estimated by ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.099E+1 0E+0 0E+0 0E+0 0E+0 + +Nahcolite +Na(HCO3) = 1.000Na+ + 1.000H+ + 1.000CO3-2 + log_k -10.740 #84HAR/MOL + delta_h 33.430 #kJ/mol + # Enthalpy of formation: -949 #kJ/mol #82VAN + -analytic -4.88332E+0 0E+0 -1.74617E+3 0E+0 0E+0 + +Natrolite +Na2(Al2Si3)O10:2H2O = 2.000Na+ + 2.000Al+3 - 8.000H+ + 3.000H4(SiO4) + log_k 19.330 + delta_h -222.462 #kJ/mol + # Enthalpy of formation: -5718.6 #kJ/mol #83JOH/FLO + -analytic -1.96436E+1 0E+0 1.162E+4 0E+0 0E+0 + +Natron +Na2(CO3):10H2O = 2.000Na+ + 1.000CO3-2 + 10.000H2O + log_k -0.830 #84HAR/MOL + delta_h 64.870 #kJ/mol + # Enthalpy of formation: -4079 #kJ/mol + -analytic 1.05347E+1 0E+0 -3.38839E+3 0E+0 0E+0 + +Nb(cr) +Nb = 1.000H+ + 1.000Nb(OH)6- - 3.500H2O - 1.250O2 + log_k 149.295 + delta_h -910.093 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA + -analytic -1.01461E+1 0E+0 4.75374E+4 0E+0 0E+0 + +Nb2O5(s) +Nb2O5 = 2.000H+ + 2.000Nb(OH)6- - 7.000H2O + log_k -28.380 #97PEI/NGU + delta_h 52.400 #kJ/mol #97PEI/NGU + # Enthalpy of formation: -1902.92 #kJ/mol + -analytic -1.91999E+1 0E+0 -2.73704E+3 0E+0 0E+0 + +Nesquehonite +Mg(CO3):3H2O = 1.000Mg+2 + 1.000CO3-2 + 3.000H2O + log_k -5.100 + delta_h -22.420 #kJ/mol + # Enthalpy of formation: -1977.3 #kJ/mol #73ROB/HEM + -analytic -9.02781E+0 0E+0 1.17108E+3 0E+0 0E+0 + +Ni(BO2)2(s) +Ni(BO2)2 = 1.000Ni+2 + 2.000B(OH)4- - 4.000H2O + log_k -8.700 #92PEA/BER + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -8.7E+0 0E+0 0E+0 0E+0 0E+0 + +Ni(CO3):5.5H2O(cr) +Ni(CO3):5.5H2O = 1.000Ni+2 + 1.000CO3-2 + 5.500H2O + log_k -7.520 + delta_h 10.685 #kJ/mol + # Enthalpy of formation: -2312.992 #kJ/mol #05GAM/BUG + -analytic -5.64807E+0 0E+0 -5.58116E+2 0E+0 0E+0 + +Ni(IO3)2(beta) +Ni(IO3)2 = 1.000Ni+2 + 2.000IO3- + log_k -4.430 + delta_h -7.300 #kJ/mol #05GAM/BUG + # Enthalpy of formation: -487.112 #kJ/mol + -analytic -5.7089E+0 0E+0 3.81305E+2 0E+0 0E+0 + +Ni(IO3)2:2H2O(cr) +Ni(IO3)2:2H2O = 1.000Ni+2 + 2.000IO3- + 2.000H2O + log_k -5.140 + delta_h 21.600 #kJ/mol #05GAM/BUG + # Enthalpy of formation: -1087.672 #kJ/mol + -analytic -1.35585E+0 0E+0 -1.12824E+3 0E+0 0E+0 + +Ni(OH)2(s) +Ni(OH)2 = 1.000Ni+2 - 2.000H+ + 2.000H2O + log_k 11.030 + delta_h -84.390 #kJ/mol + # Enthalpy of formation: -542.3 #kJ/mol #05GAM/BUG + -analytic -3.75447E+0 0E+0 4.40799E+3 0E+0 0E+0 + +Ni(SO4)(cr) +Ni(SO4) = 1.000Ni+2 + 1.000SO4-2 + log_k 4.750 #05GAM/BUG + delta_h -91.072 #kJ/mol + # Enthalpy of formation: -873.28 #kJ/mol #05GAM/BUG + -analytic -1.12051E+1 0E+0 4.75701E+3 0E+0 0E+0 + +Ni(SO4):6H2O(s) +Ni(SO4):6H2O = 1.000Ni+2 + 1.000SO4-2 + 6.000H2O + log_k -2.250 #05GAM/BUG + delta_h 4.485 #kJ/mol #05GAM/BUG + # Enthalpy of formation: -2683.817 #kJ/mol + -analytic -1.46426E+0 0E+0 -2.34268E+2 0E+0 0E+0 + +Ni(SO4):7H2O(s) +Ni(SO4):7H2O = 1.000Ni+2 + 1.000SO4-2 + 7.000H2O + log_k -2.270 #05GAM/BUG + delta_h 12.167 #kJ/mol #05GAM/BUG + # Enthalpy of formation: -2977.329 #kJ/mol + -analytic -1.38436E-1 0E+0 -6.35526E+2 0E+0 0E+0 + +Ni(SeO3):2H2O(cr) +Ni(SeO3):2H2O = 1.000Ni+2 + 1.000SeO3-2 + 2.000H2O + log_k -5.800 #05OLI/NOL + delta_h -24.502 #kJ/mol + # Enthalpy of formation: -1109.33 #kJ/mol #05OLI/NOL + -analytic -1.00926E+1 0E+0 1.27983E+3 0E+0 0E+0 + +Ni(SeO4):6H2O(s) +Ni(SeO4):6H2O = 1.000Ni+2 + 1.000SeO4-2 + 6.000H2O + log_k -1.381 #05OLI/NOL + delta_h -3.787 #kJ/mol + # Enthalpy of formation: -2369.705 #kJ/mol + -analytic -2.04445E+0 0E+0 1.97808E+2 0E+0 0E+0 + +Ni(s) +Ni = 1.000Ni+2 + 1.000H2O - 2.000H+ - 0.500O2 + log_k 51.010 + delta_h -334.775 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #05GAM/BUG + -analytic -7.63998E+0 0E+0 1.74865E+4 0E+0 0E+0 + +Ni0.88Se(cr) +Ni0.88Se = 0.880Ni+2 - 0.760H+ + 1.000HSe- - 0.120H2O + 0.060O2 + log_k -17.919 + delta_h 69.261 #kJ/mol + # Enthalpy of formation: -69.8 #kJ/mol #05OLI/NOL + -analytic -5.78489E+0 0E+0 -3.61773E+3 0E+0 0E+0 + +Ni11As8(cr) +Ni11As8 = 11.000Ni+2 + 2.000H+ + 8.000AsO4-3 - 1.000H2O - 15.500O2 + log_k 874.760 + delta_h -6493.345 #kJ/mol + # Enthalpy of formation: -743 #kJ/mol #05GAM/BUG + -analytic -2.62824E+2 0E+0 3.39171E+5 0E+0 0E+0 + +Ni2(Pyrophos)(cr) +Ni2(Pyrophos) = 2.000Ni+2 + 1.000Pyrophos-4 + log_k -9.820 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -9.82E+0 0E+0 0E+0 0E+0 0E+0 + +Ni3(AsO3)2(s) +Ni3(AsO3)2 = 3.000Ni+2 + 2.000AsO4-3 - 1.000O2 + log_k 34.500 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.4500E+1 0E+0 0E+0 0E+0 0E+0 + +Ni3(AsO4)2:8H2O(s) +Ni3(AsO4)2:8H2O = 3.000Ni+2 + 2.000AsO4-3 + 8.000H2O + log_k -28.100 #05GAM/BUG + delta_h -48.956 #kJ/mol + # Enthalpy of formation: -4179 #kJ/mol #05GAM/BUG + -analytic -3.66767E+1 0E+0 2.55715E+3 0E+0 0E+0 + +Ni3(PO4)2(cr) +Ni3(PO4)2 = 3.000Ni+2 - 4.000H+ + 2.000H2(PO4)- + log_k 10.253 + delta_h -188.236 #kJ/mol + # Enthalpy of formation: -2582 #kJ/mol #89BAE/McK + -analytic -2.27245E+1 0E+0 9.83224E+3 0E+0 0E+0 + +Ni5As2(cr) +Ni5As2 = 5.000Ni+2 - 4.000H+ + 2.000AsO4-3 + 2.000H2O - 5.000O2 + log_k 323.170 + delta_h -2317.670 #kJ/mol + # Enthalpy of formation: -244.66 #kJ/mol #05GAM/BUG + -analytic -8.28678E+1 0E+0 1.2106E+5 0E+0 0E+0 + +NiAs(cr) +NiAs = 1.000Ni+2 + 1.000H+ + 1.000AsO4-3 - 0.500H2O - 1.750O2 + log_k 94.225 + delta_h -708.183 #kJ/mol + # Enthalpy of formation: -70.82 #kJ/mol #05GAM/BUG + -analytic -2.98431E+1 0E+0 3.69909E+4 0E+0 0E+0 + +NiBr2(s) +NiBr2 = 1.000Ni+2 + 2.000Br- + log_k 10.170 + delta_h -84.332 #kJ/mol + # Enthalpy of formation: -213.5 #kJ/mol #05GAM/BUG + -analytic -4.60431E+0 0E+0 4.40496E+3 0E+0 0E+0 + +NiCl2(s) +NiCl2 = 1.000Ni+2 + 2.000Cl- + log_k 8.670 + delta_h -84.272 #kJ/mol + # Enthalpy of formation: -304.9 #kJ/mol #05GAM/BUG + -analytic -6.0938E+0 0E+0 4.40183E+3 0E+0 0E+0 + +NiCl2:2H2O(s) +NiCl2:2H2O = 1.000Ni+2 + 2.000Cl- + 2.000H2O + log_k 4.920 + delta_h -47.461 #kJ/mol + # Enthalpy of formation: -913.371 #kJ/mol + -analytic -3.3948E+0 0E+0 2.47906E+3 0E+0 0E+0 + +NiCl2:4H2O(s) +NiCl2:4H2O = 1.000Ni+2 + 2.000Cl- + 4.000H2O + log_k 3.820 + delta_h -18.444 #kJ/mol #05GAM/BUG + # Enthalpy of formation: -1514.048 #kJ/mol + -analytic 5.88755E-1 0E+0 9.63396E+2 0E+0 0E+0 + +NiCl2:6H2O(s) +NiCl2:6H2O = 1.000Ni+2 + 2.000Cl- + 6.000H2O + log_k 3.040 + delta_h 0.548 #kJ/mol + # Enthalpy of formation: -2104.7 #kJ/mol #05GAM/BUG + -analytic 3.13601E+0 0E+0 -2.8624E+1 0E+0 0E+0 + +NiF2(s) +NiF2 = 1.000Ni+2 + 2.000F- + log_k -0.180 + delta_h -68.412 #kJ/mol + # Enthalpy of formation: -657.3 #kJ/mol #05GAM/BUG + -analytic -1.21653E+1 0E+0 3.5734E+3 0E+0 0E+0 + +NiI2(s) +NiI2 = 1.000Ni+2 + 2.000I- + log_k 9.610 + delta_h -72.152 #kJ/mol + # Enthalpy of formation: -96.42 #kJ/mol #05GAM/BUG + -analytic -3.03047E+0 0E+0 3.76876E+3 0E+0 0E+0 + +NiSe2(cr) +NiSe2 = 1.000Ni+2 + 2.000HSe- - 1.000H2O + 0.500O2 + log_k -69.890 + delta_h 368.851 #kJ/mol + # Enthalpy of formation: -115.5 #kJ/mol #05OLI/NOL + -analytic -5.27017E+0 0E+0 -1.92664E+4 0E+0 0E+0 + +Nontronite-Ca +Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.170Ca+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O + log_k -0.010 + delta_h -151.357 #kJ/mol + # Enthalpy of formation: -4976.89 #kJ/mol #13BLA/VIE + -analytic -2.65266E+1 0E+0 7.90592E+3 0E+0 0E+0 + +Nontronite-K +K0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.340K+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O + log_k -2.280 + delta_h -127.024 #kJ/mol + # Enthalpy of formation: -4994.64 #kJ/mol #13BLA/VIE + -analytic -2.45336E+1 0E+0 6.63492E+3 0E+0 0E+0 + +Nontronite-Mg +Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.170Mg+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O + log_k 0.360 + delta_h -151.227 #kJ/mol + # Enthalpy of formation: -4964.1 #kJ/mol #13BLA/VIE + -analytic -2.61338E+1 0E+0 7.89912E+3 0E+0 0E+0 + +Nontronite-Na +Na0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.340Na+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O + log_k -1.580 + delta_h -136.852 #kJ/mol + # Enthalpy of formation: -4980.8 #kJ/mol #13BLA/VIE + -analytic -2.55554E+1 0E+0 7.14827E+3 0E+0 0E+0 + +Nontronite_Nau-2 +Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 = 0.247Ca+2 + 0.068Mg+2 + 0.020K+ + 1.688Fe+3 + 0.818Al+3 + 3.458H4(SiO4) - 1.832H2O - 8.168H+ + log_k 1.350 + delta_h -187.521 #kJ/mol + # Enthalpy of formation: -5035.69 #kJ/mol #13GAI/BLA + -analytic -3.15022E+1 0E+0 9.79489E+3 0E+0 0E+0 + +Np(CO3)(OH)(s) +Np(CO3)(OH) = 1.000Np+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O + log_k -6.060 #Estimated by correlation with An(III) in function of ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.06E+0 0E+0 0E+0 0E+0 0E+0 + +Np(HPO4)2(s) +Np(HPO4)2 = 1.000Np+4 - 2.000H+ + 2.000H2(PO4)- + log_k -16.060 #Estimated by correlation with An(III) in function of ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.606E+1 0E+0 0E+0 0E+0 0E+0 + +Np(OH)3(s) +Np(OH)3 = 1.000Np+3 - 3.000H+ + 3.000H2O + log_k 18.000 #80ALL/KIP + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.8E+1 0E+0 0E+0 0E+0 0E+0 + +Np(cr) +Np = 1.000Np+3 + 1.500H2O - 3.000H+ - 0.750O2 + log_k 154.335 + delta_h -946.829 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #01LEM/FUG + -analytic -1.1542E+1 0E+0 4.94562E+4 0E+0 0E+0 + +Np2O5(cr) +Np2O5 = 2.000NpO2+ - 2.000H+ + 1.000H2O + log_k 3.700 + delta_h -79.492 #kJ/mol + # Enthalpy of formation: -2162.7 #kJ/mol #01LEM/FUG + -analytic -1.02264E+1 0E+0 4.15215E+3 0E+0 0E+0 + +NpO2(CO3)(s) +NpO2(CO3) = 1.000NpO2+2 + 1.000CO3-2 + log_k -14.600 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.46E+1 0E+0 0E+0 0E+0 0E+0 + +NpO2(CO3)2Na3(s) +NpO2(CO3)2Na3 = 3.000Na+ + 1.000NpO2+ + 2.000CO3-2 + log_k -14.220 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.422E+1 0E+0 0E+0 0E+0 0E+0 + +NpO2(CO3)Na:3.5H2O(s) +NpO2(CO3)Na:3.5H2O = 1.000Na+ + 1.000NpO2+ + 1.000CO3-2 + 3.500H2O + log_k -11.000 #03GUI/FAN + delta_h 30.995 #kJ/mol + # Enthalpy of formation: -2925.151 #kJ/mol + -analytic -5.56992E+0 0E+0 -1.61898E+3 0E+0 0E+0 + +NpO2(NH4)4(CO3)3(s) +NpO2(NH4)4(CO3)3 = 1.000NpO2+2 + 4.000H+ + 3.000CO3-2 + 4.000NH3 + log_k -26.810 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.681E+1 0E+0 0E+0 0E+0 0E+0 + +NpO2(s) +NpO2 = 1.000Np+4 - 4.000H+ + 2.000H2O + log_k -9.750 + delta_h -53.682 #kJ/mol + # Enthalpy of formation: -1074 #kJ/mol #01LEM/FUG + -analytic -1.91547E+1 0E+0 2.804E+3 0E+0 0E+0 + +NpO2:2H2O(am) +NpO2:2H2O = 1.000Np+4 - 4.000H+ + 4.000H2O + log_k -0.700 #03GUI/FAN + delta_h -81.156 #kJ/mol + # Enthalpy of formation: -1618.186 #kJ/mol + -analytic -1.49179E+1 0E+0 4.23907E+3 0E+0 0E+0 + +NpO2OH(am,aged) +NpO2OH = 1.000NpO2+ - 1.000H+ + 1.000H2O + log_k 4.700 #01LEM/FUG + delta_h -41.111 #kJ/mol + # Enthalpy of formation: -1222.9 #kJ/mol #01LEM/FUG + -analytic -2.50233E+0 0E+0 2.14737E+3 0E+0 0E+0 + +NpO2OH(am,fresh) +NpO2OH = 1.000NpO2+ - 1.000H+ + 1.000H2O + log_k 5.300 #01LEM/FUG + delta_h -41.111 #kJ/mol + # Enthalpy of formation: -1222.9 #kJ/mol #01LEM/FUG + -analytic -1.90233E+0 0E+0 2.14737E+3 0E+0 0E+0 + +NpO3:H2O(cr) +NpO3:H2O = 1.000NpO2+2 - 2.000H+ + 2.000H2O + log_k 5.470 #01LEM/FUG + delta_h -52.240 #kJ/mol + # Enthalpy of formation: -1380.153 #kJ/mol + -analytic -3.68204E+0 0E+0 2.72868E+3 0E+0 0E+0 + +Okenite +CaSi2O5:2H2O = 1.000Ca+2 - 2.000H+ + 2.000H4(SiO4) - 1.000H2O + log_k 9.180 + delta_h -44.388 #kJ/mol + # Enthalpy of formation: -3135.17 #kJ/mol #10BLA/BOU + -analytic 1.40357E+0 0E+0 2.31854E+3 0E+0 0E+0 + +Orpiment +As2S3 = 9.000H+ + 3.000HS- + 2.000AsO4-3 - 6.000H2O - 1.000O2 + log_k -41.480 + delta_h -6.843 #kJ/mol + # Enthalpy of formation: -91.223 #kJ/mol + -analytic -4.26788E+1 0E+0 3.57434E+2 0E+0 0E+0 + +P(cr) +P = 1.000H+ + 1.000H2(PO4)- - 1.500H2O - 1.250O2 + log_k 140.515 + delta_h -858.688 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #89COX/WAG + -analytic -9.92037E+0 0E+0 4.48523E+4 0E+0 0E+0 + +Pa(cr) +Pa = 1.000Pa+4 + 2.000H2O - 4.000H+ - 1.000O2 + log_k 184.730 + delta_h -1179.526 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #85BAR/PAR + -analytic -2.19138E+1 0E+0 6.16108E+4 0E+0 0E+0 + +Pa2O5(s) +Pa2O5 = - 2.000H+ + 2.000PaO2+ + 1.000H2O + log_k -4.000 #76BAE/MES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4E+0 0E+0 0E+0 0E+0 0E+0 + +PaO2(s) +PaO2 = - 4.000H+ + 1.000Pa+4 + 2.000H2O + log_k 0.600 #76BAE/MES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6E-1 0E+0 0E+0 0E+0 0E+0 + +Paragonite +NaAl3Si3O10(OH)2 = 1.000Na+ + 3.000Al+3 - 10.000H+ + 3.000H4(SiO4) + log_k 16.800 + delta_h -301.622 #kJ/mol + # Enthalpy of formation: -5937.5 #kJ/mol #96ROU/HOV + -analytic -3.60418E+1 0E+0 1.57548E+4 0E+0 0E+0 + +Paralaurionite +PbCl(OH) = 1.000Pb+2 - 1.000H+ + 1.000Cl- + 1.000H2O + log_k 0.620 #99LOT/OCH + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 6.2E-1 0E+0 0E+0 0E+0 0E+0 + +Pb(H2PO4)2(cr) +Pb(H2PO4)2 = 1.000Pb+2 + 2.000H2(PO4)- + log_k -9.840 #74NRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -9.84E+0 0E+0 0E+0 0E+0 0E+0 + +Pb(HPO4)(s) +Pb(HPO4) = 1.000Pb+2 - 1.000H+ + 1.000H2(PO4)- + log_k -4.250 #74NRI + delta_h 16.436 #kJ/mol + # Enthalpy of formation: -1318.116 #kJ/mol + -analytic -1.37054E+0 0E+0 -8.58511E+2 0E+0 0E+0 + +Pb(OH)2(s) +Pb(OH)2 = 1.000Pb+2 - 2.000H+ + 2.000H2O + log_k 13.510 + delta_h -56.140 #kJ/mol + # Enthalpy of formation: -514.6 #kJ/mol #52LAT + -analytic 3.67471E+0 0E+0 2.93239E+3 0E+0 0E+0 + +Pb(SeO3)(s) +Pb(SeO3) = 1.000Pb+2 + 1.000SeO3-2 + log_k -12.500 #05OLI/NOL + delta_h 25.840 #kJ/mol + # Enthalpy of formation: -532.08 #kJ/mol #05OLI/NOL + -analytic -7.97303E+0 0E+0 -1.34972E+3 0E+0 0E+0 + +Pb(SeO4)(s) +Pb(SeO4) = 1.000Pb+2 + 1.000SeO4-2 + log_k -6.900 #05OLI/NOL + delta_h 4.720 #kJ/mol #05OLI/NOL + # Enthalpy of formation: -607.3 #kJ/mol + -analytic -6.07309E+0 0E+0 -2.46542E+2 0E+0 0E+0 + +Pb(cr) +Pb = 1.000Pb+2 + 1.000H2O - 2.000H+ - 0.500O2 + log_k 47.240 + delta_h -278.843 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #89COX/WAG + -analytic -1.61112E+0 0E+0 1.4565E+4 0E+0 0E+0 + +Pb2(SiO4)(s) +Pb2(SiO4) = 2.000Pb+2 - 4.000H+ + 1.000H4(SiO4) + log_k 15.890 + delta_h -81.474 #kJ/mol + # Enthalpy of formation: -1377.88 #kJ/mol #98CHA + -analytic 1.61639E+0 0E+0 4.25568E+3 0E+0 0E+0 + +Pb3(AsO4)2(s) +Pb3(AsO4)2 = 3.000Pb+2 + 2.000AsO4-3 + log_k -35.400 #74NAU/RYZ + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.54E+1 0E+0 0E+0 0E+0 0E+0 + +Pb3(PO4)2(s) +Pb3(PO4)2 = 3.000Pb+2 - 4.000H+ + 2.000H2(PO4)- + log_k -5.260 #74NRI + delta_h -3.548 #kJ/mol + # Enthalpy of formation: -2598.892 #kJ/mol + -analytic -5.88158E+0 0E+0 1.85325E+2 0E+0 0E+0 + +Pb4O(PO4)2(cr) +Pb4O(PO4)2 = 4.000Pb+2 - 6.000H+ + 2.000H2(PO4)- + 1.000H2O + log_k 2.240 #74NRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.24E+0 0E+0 0E+0 0E+0 0E+0 + +PbB2O4(s) +PbB2O4 = 1.000Pb+2 + 2.000B(OH)4- - 4.000H2O + log_k -10.870 #91BAL/NOR + delta_h 2.761 #kJ/mol #91BAL/NOR + # Enthalpy of formation: -1548.753 #kJ/mol + -analytic -1.03863E+1 0E+0 -1.44217E+2 0E+0 0E+0 + +PbF2(s) +PbF2 = 1.000Pb+2 + 2.000F- + log_k -7.520 #99LOT/OCH + delta_h 6.530 #kJ/mol + # Enthalpy of formation: -676.31 #kJ/mol + -analytic -6.37599E+0 0E+0 -3.41085E+2 0E+0 0E+0 + +PbI2(cr) +PbI2 = 1.000Pb+2 + 2.000I- + log_k -8.050 + delta_h 62.801 #kJ/mol + # Enthalpy of formation: -175.441 #kJ/mol + -analytic 2.95225E+0 0E+0 -3.28032E+3 0E+0 0E+0 + +PbMoO4(s) +PbMoO4 = 1.000Pb+2 + 1.000MoO4-2 + log_k -15.800 + delta_h 55.795 #kJ/mol + # Enthalpy of formation: -1051.875 #kJ/mol + -analytic -6.02515E+0 0E+0 -2.91437E+3 0E+0 0E+0 + +PbSiO3(Glass) +PbSiO3 = 1.000Pb+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O + log_k 6.600 + delta_h -36.814 #kJ/mol + # Enthalpy of formation: -1137.63 #kJ/mol #74NAU/RYZ + -analytic 1.50474E-1 0E+0 1.92293E+3 0E+0 0E+0 + +Pd(OH)2(s) +Pd(OH)2 = - 2.000H+ + 1.000Pd+2 + 2.000H2O + log_k -1.610 #70NAB/KAL + delta_h 13.223 #kJ/mol + # Enthalpy of formation: -395 #kJ/mol #82WAG/EVA + -analytic 7.06567E-1 0E+0 -6.90684E+2 0E+0 0E+0 + +Pd(cr) +Pd = 1.000Pd+2 + 1.000H2O - 2.000H+ - 0.500O2 + log_k 9.960 #43TEM/WAT + delta_h -89.880 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol + -analytic -5.78628E+0 0E+0 4.69475E+3 0E+0 0E+0 + +PdBr2(cr) +PdBr2 = 1.000Pd+2 + 2.000Br- + log_k -13.310 #89BAE/McK + delta_h 51.263 #kJ/mol + # Enthalpy of formation: -104.2 #kJ/mol #89BAE/McK + -analytic -4.32912E+0 0E+0 -2.67765E+3 0E+0 0E+0 + +PdCl2(cr) +PdCl2 = 1.000Pd+2 + 2.000Cl- + log_k -9.200 + delta_h 54.423 #kJ/mol + # Enthalpy of formation: -198.7 #kJ/mol #82WAG/EVA + -analytic 3.34486E-1 0E+0 -2.84271E+3 0E+0 0E+0 + +PdI2(cr) +PdI2 = 1.000Pd+2 + 2.000I- + log_k -25.870 + delta_h 139.923 #kJ/mol + # Enthalpy of formation: -63.6 #kJ/mol #89BAE/McK + -analytic -1.35658E+0 0E+0 -7.30868E+3 0E+0 0E+0 + +PdO(s) +PdO = - 2.000H+ + 1.000Pd+2 + 1.000H2O + log_k -6.020 + delta_h -10.547 #kJ/mol + # Enthalpy of formation: -85.4 #kJ/mol #82WAG/EVA + -analytic -7.86775E+0 0E+0 5.50907E+2 0E+0 0E+0 + +PdS(s) +PdS = - 1.000H+ + 1.000Pd+2 + 1.000HS- + log_k -46.860 + delta_h 244.293 #kJ/mol + # Enthalpy of formation: -70.71 #kJ/mol #74MIL + -analytic -4.06177E+0 0E+0 -1.27603E+4 0E+0 0E+0 + +PdSe(s) +PdSe = - 1.000H+ + 1.000Pd+2 + 1.000HSe- + log_k -49.110 + delta_h 254.463 #kJ/mol + # Enthalpy of formation: -50.28 #kJ/mol #74MIL + -analytic -4.53006E+0 0E+0 -1.32915E+4 0E+0 0E+0 + +Pentahydrite +MgSO4:5H2O = 1.000Mg+2 + 1.000SO4-2 + 5.000H2O + log_k -1.280 #80HAR/WEA + delta_h -14.187 #kJ/mol + # Enthalpy of formation: -2791.303 #kJ/mol + -analytic -3.76545E+0 0E+0 7.41038E+2 0E+0 0E+0 + +Periclase +MgO = 1.000Mg+2 - 2.000H+ + 1.000H2O + log_k 21.580 + delta_h -151.230 #kJ/mol + # Enthalpy of formation: -601.6 #kJ/mol #89COX/WAG + -analytic -4.91432E+0 0E+0 7.89928E+3 0E+0 0E+0 + +Phillipsite_Ca +Ca0.5AlSi3O8:3H2O = 0.500Ca+2 + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O + log_k 2.320 #09BLA + delta_h -83.630 #kJ/mol + # Enthalpy of formation: -4824.022 #kJ/mol + -analytic -1.23313E+1 0E+0 4.36829E+3 0E+0 0E+0 + +Phillipsite_K +KAlSi3O8:3H2O = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O + log_k 0.040 #09BLA + delta_h -46.433 #kJ/mol + # Enthalpy of formation: -4841.859 #kJ/mol + -analytic -8.0947E+0 0E+0 2.42536E+3 0E+0 0E+0 + +Phillipsite_Na +NaAlSi3O8:3H2O = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O + log_k 1.450 #09BLA + delta_h -64.815 #kJ/mol + # Enthalpy of formation: -4811.677 #kJ/mol + -analytic -9.90508E+0 0E+0 3.38552E+3 0E+0 0E+0 + +Phlogopite_K +KMg3Si3AlO10(OH)2 = 3.000Mg+2 + 1.000K+ + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4) + log_k 41.100 + delta_h -360.122 #kJ/mol + # Enthalpy of formation: -6215 #kJ/mol #92CIR/NAV + -analytic -2.19906E+1 0E+0 1.88105E+4 0E+0 0E+0 + +Phlogopite_Na +NaMg3AlSi3O10(OH)2 = 3.000Mg+2 + 1.000Na+ + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4) + log_k 44.200 + delta_h -391.182 #kJ/mol + # Enthalpy of formation: -6172.14 #kJ/mol #98HOL/POW + -analytic -2.4332E+1 0E+0 2.04328E+4 0E+0 0E+0 + +Phosgenite +Pb2(CO3)Cl2 = 2.000Pb+2 + 1.000CO3-2 + 2.000Cl- + log_k 19.900 #74NAU/RYZ + delta_h -163.291 #kJ/mol + # Enthalpy of formation: -844.259 #kJ/mol + -analytic -8.70731E+0 0E+0 8.52927E+3 0E+0 0E+0 + +Picromerite +K2Mg(SO4)2:6H2O = 1.000Mg+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O + log_k -4.330 #84HAR/MOL + delta_h 33.487 #kJ/mol + # Enthalpy of formation: -4538.427 #kJ/mol #74NAU/RYZ + -analytic 1.53666E+0 0E+0 -1.74915E+3 0E+0 0E+0 + +Pirssonite +Na2Ca(CO3)2:2H2O = 1.000Ca+2 + 2.000Na+ + 2.000CO3-2 + 2.000H2O + log_k -8.910 #99KON/KON + delta_h 9.580 #kJ/mol + # Enthalpy of formation: -2955.38 #kJ/mol + -analytic -7.23166E+0 0E+0 -5.00398E+2 0E+0 0E+0 + +Plattnerite +PbO2 = 1.000Pb+2 - 2.000H+ + 1.000H2O + 0.500O2 + log_k 6.610 + delta_h -16.507 #kJ/mol + # Enthalpy of formation: -274.47 #kJ/mol #98CHA + -analytic 3.7181E+0 0E+0 8.62219E+2 0E+0 0E+0 + +Plumbogummite +PbAl3(PO4)2(OH)5:H2O = 1.000Pb+2 + 3.000Al+3 - 9.000H+ + 2.000H2(PO4)- + 6.000H2O + log_k 13.240 #74NRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.324E+1 0E+0 0E+0 0E+0 0E+0 + +Plumbonacrite +Pb10(CO3)6O(OH)6 = 10.000Pb+2 - 8.000H+ + 6.000CO3-2 + 7.000H2O + log_k -42.090 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.209E+1 0E+0 0E+0 0E+0 0E+0 + +Polydymite +Ni3S4 = 3.000Ni+2 - 2.000H+ + 4.000HS- - 1.000H2O + 0.500O2 + log_k -82.260 + delta_h 375.879 #kJ/mol + # Enthalpy of formation: -326.352 #kJ/mol #74MIL + -analytic -1.64089E+1 0E+0 -1.96335E+4 0E+0 0E+0 + +Polyhalite +K2MgCa2(SO4)4:2H2O = 2.000Ca+2 + 1.000Mg+2 + 2.000K+ + 4.000SO4-2 + 2.000H2O + log_k -13.740 #84HAR/MOL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.374E+1 0E+0 0E+0 0E+0 0E+0 + +Portlandite +Ca(OH)2 = 1.000Ca+2 - 2.000H+ + 2.000H2O + log_k 22.810 #10BLA/BOU + delta_h -130.078 #kJ/mol + # Enthalpy of formation: -984.582 #kJ/mol + -analytic 2.13461E-2 0E+0 6.79444E+3 0E+0 0E+0 + +Pu(CO3)(OH)(s) +Pu(CO3)(OH) = 1.000Pu+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O + log_k -5.740 #Estimated by correlation with An(III) in function of ionic radii + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.74E+0 0E+0 0E+0 0E+0 0E+0 + +Pu(HPO4)2(am,hyd) +Pu(HPO4)2 = 1.000Pu+4 - 2.000H+ + 2.000H2(PO4)- + log_k -16.030 #01LEM/FUG + delta_h -32.718 #kJ/mol + # Enthalpy of formation: -3112.377 #kJ/mol + -analytic -2.17619E+1 0E+0 1.70898E+3 0E+0 0E+0 + +Pu(OH)3(cr) +Pu(OH)3 = 1.000Pu+3 - 3.000H+ + 3.000H2O + log_k 15.800 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.58E+1 0E+0 0E+0 0E+0 0E+0 + +Pu(OH)4(am) +Pu(OH)4 = 1.000Pu+4 - 4.000H+ + 4.000H2O + log_k -0.800 #89LEM/GAR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -8E-1 0E+0 0E+0 0E+0 0E+0 + +Pu(PO4)(s,hyd) +Pu(PO4) = 1.000Pu+3 - 2.000H+ + 1.000H2(PO4)- + log_k -5.040 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.04E+0 0E+0 0E+0 0E+0 0E+0 + +Pu(cr) +Pu = 1.000Pu+3 + 1.500H2O - 3.000H+ - 0.750O2 + log_k 165.915 + delta_h -1011.435 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #01LEM/FUG + -analytic -1.12805E+1 0E+0 5.28308E+4 0E+0 0E+0 + +Pu2O3(s) +Pu2O3 = 2.000Pu+3 - 6.000H+ + 3.000H2O + log_k 50.630 + delta_h -385.070 #kJ/mol + # Enthalpy of formation: -1656 #kJ/mol #01LEM/FUG + -analytic -1.68313E+1 0E+0 2.01136E+4 0E+0 0E+0 + +PuAs(s) +PuAs = 1.000AsO4-3 + 1.000PuO2+2 - 0.500H2O + 1.000H+ - 2.750O2 + log_k 192.005 + delta_h -1293.893 #kJ/mol + # Enthalpy of formation: -240 #kJ/mol #01LEM/FUG + -analytic -3.46749E+1 0E+0 6.75846E+4 0E+0 0E+0 + +PuF4(s) +PuF4 = 1.000Pu+4 + 4.000F- + log_k -26.070 #01LEM/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.607E+1 0E+0 0E+0 0E+0 0E+0 + +PuO2(CO3)(s) +PuO2(CO3) = 1.000PuO2+2 + 1.000CO3-2 + log_k -14.650 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.465E+1 0E+0 0E+0 0E+0 0E+0 + +PuO2(OH)(s) +PuO2(OH) = 1.000PuO2+ - 1.000H+ + 1.000H2O + log_k 5.000 #01LEM/FUG + delta_h -36.164 #kJ/mol + # Enthalpy of formation: -1159.793 #kJ/mol + -analytic -1.33565E+0 0E+0 1.88897E+3 0E+0 0E+0 + +PuO2(OH)2:H2O(s) +PuO2(OH)2:H2O = 1.000PuO2+2 - 2.000H+ + 3.000H2O + log_k 5.500 #01LEM/FUG + delta_h -46.718 #kJ/mol + # Enthalpy of formation: -1632.808 #kJ/mol + -analytic -2.68463E+0 0E+0 2.44025E+3 0E+0 0E+0 + +PuO2(Ox):3H2O(s) +PuO2(Ox):3H2O = 1.000PuO2+2 + 1.000Ox-2 + 3.000H2O + log_k -10.000 #05HUM/AND + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1E+1 0E+0 0E+0 0E+0 0E+0 + +PuO2(coll,hyd) +PuO2 = 1.000Pu+4 - 4.000H+ + 2.000H2O + log_k 0.200 #07NEC/ALT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2E-1 0E+0 0E+0 0E+0 0E+0 + +PuO2(s) +PuO2 = 1.000Pu+4 - 4.000H+ + 2.000H2O + log_k -8.030 + delta_h -55.755 #kJ/mol + # Enthalpy of formation: -1055.8 #kJ/mol #01LEM/FUG + -analytic -1.77978E+1 0E+0 2.91228E+3 0E+0 0E+0 + +PuO2:2H2O(am) +PuO2:2H2O = 1.000Pu+4 - 4.000H+ + 4.000H2O + log_k -2.370 #03GUI/FAN + delta_h -58.548 #kJ/mol + # Enthalpy of formation: -1624.667 #kJ/mol + -analytic -1.26272E+1 0E+0 3.05817E+3 0E+0 0E+0 + +Pyrite +FeS2 = 1.000Fe+2 + 2.000HS- - 1.000H2O + 0.500O2 + log_k -58.780 + delta_h 324.813 #kJ/mol + # Enthalpy of formation: -167.65 #kJ/mol #76RAU in 04CHI + -analytic -1.87529E+0 0E+0 -1.69661E+4 0E+0 0E+0 + +Pyrochroite +Mn(OH)2 = 1.000Mn+2 - 2.000H+ + 2.000H2O + log_k 15.300 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.53E+1 0E+0 0E+0 0E+0 0E+0 + +Pyromorphite +Pb5Cl(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)- + log_k -25.750 #74NRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.575E+1 0E+0 0E+0 0E+0 0E+0 + +Pyromorphite-Br +Pb5Br(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000Br- + 3.000H2(PO4)- + log_k -19.450 #74NRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.945E+1 0E+0 0E+0 0E+0 0E+0 + +Pyromorphite-F +Pb5F(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000F- + 3.000H2(PO4)- + log_k -13.100 #74NRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.31E+1 0E+0 0E+0 0E+0 0E+0 + +Pyromorphite-OH +Pb5(OH)(PO4)3 = 5.000Pb+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O + log_k -4.150 #74NRI + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -4.15E+0 0E+0 0E+0 0E+0 0E+0 + +Pyrophyllite +Al2Si4O10(OH)2 = 2.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O + log_k -0.420 + delta_h -138.256 #kJ/mol + # Enthalpy of formation: -5640 #kJ/mol #95ROB/HEM + -analytic -2.46414E+1 0E+0 7.2216E+3 0E+0 0E+0 + +Pyrrhotite +Fe0.87S = 0.870Fe+2 - 0.740H+ + 1.000HS- - 0.130H2O + 0.065O2 + log_k -11.179 + delta_h 38.819 #kJ/mol + # Enthalpy of formation: -97.5 #kJ/mol #95ROB/HEM + -analytic -4.37788E+0 0E+0 -2.02766E+3 0E+0 0E+0 + +Quartz +SiO2 = 1.000H4(SiO4) - 2.000H2O + log_k -3.740 + delta_h 21.166 #kJ/mol + # Enthalpy of formation: -910.7 #kJ/mol #82RIC/BOT + -analytic -3.18814E-2 0E+0 -1.10558E+3 0E+0 0E+0 + +Ra(CO3)(s) +Ra(CO3) = 1.000Ra+2 + 1.000CO3-2 + log_k -8.300 #85LAN/RIE + delta_h 13.390 #kJ/mol + # Enthalpy of formation: -1216.646 #kJ/mol + -analytic -5.95418E+0 0E+0 -6.99407E+2 0E+0 0E+0 + +Ra(NO3)2(s) +Ra(NO3)2 = 1.000Ra+2 + 2.000NO3- + log_k -2.210 + delta_h 49.980 #kJ/mol + # Enthalpy of formation: -991.706 #kJ/mol + -analytic 6.54611E+0 0E+0 -2.61063E+3 0E+0 0E+0 + +Ra(OH)2(s) +Ra(OH)2 = - 2.000H+ + 1.000Ra+2 + 2.000H2O + log_k 30.990 + delta_h -149.763 #kJ/mol + # Enthalpy of formation: -949.923 #kJ/mol + -analytic 4.75269E+0 0E+0 7.82265E+3 0E+0 0E+0 + +Ra(SO4)(s) +Ra(SO4) = 1.000Ra+2 + 1.000SO4-2 + log_k -10.260 #99SCH, 85LAN/RIE + delta_h 38.910 #kJ/mol + # Enthalpy of formation: -1476.275 #kJ/mol + -analytic -3.44327E+0 0E+0 -2.03241E+3 0E+0 0E+0 + +Ra(cr) +Ra = 1.000Ra+2 + 1.000H2O - 2.000H+ - 0.500O2 + log_k 141.430 + delta_h -807.788 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA + -analytic -8.81751E-2 0E+0 4.21936E+4 0E+0 0E+0 + +RaCl2:2H2O(s) +RaCl2:2H2O = 1.000Ra+2 + 2.000Cl- + 2.000H2O + log_k -0.730 + delta_h 32.220 #kJ/mol + # Enthalpy of formation: -1466.065 #kJ/mol + -analytic 4.91469E+0 0E+0 -1.68297E+3 0E+0 0E+0 + +Rb(s) +Rb = 1.000Rb+ + 0.500H2O - 1.000H+ - 0.250O2 + log_k 71.255 + delta_h -391.002 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG + -analytic 2.75458E+0 0E+0 2.04234E+4 0E+0 0E+0 + +Rb2MoO4(s) +Rb2MoO4 = 1.000MoO4-2 + 2.000Rb+ + log_k 3.100 + delta_h -5.391 #kJ/mol + # Enthalpy of formation: -1493.849 #kJ/mol + -analytic 2.15554E+0 0E+0 2.81591E+2 0E+0 0E+0 + +Realgar +AsS = 4.000H+ + 1.000HS- + 1.000AsO4-3 - 2.500H2O - 0.750O2 + log_k -2.575 + delta_h -109.359 #kJ/mol + # Enthalpy of formation: -71.406 #kJ/mol + -analytic -2.17338E+1 0E+0 5.71218E+3 0E+0 0E+0 + +Rhodochrosite +Mn(CO3) = 1.000Mn+2 + 1.000CO3-2 + log_k -11.130 #92PEA/BER + delta_h -5.899 #kJ/mol + # Enthalpy of formation: -890.081 #kJ/mol + -analytic -1.21635E+1 0E+0 3.08126E+2 0E+0 0E+0 + +Rhodochrosite(syn) +Mn(CO3) = 1.000Mn+2 + 1.000CO3-2 + log_k -10.520 + delta_h -6.792 #kJ/mol + # Enthalpy of formation: -889.188 #kJ/mol #92JOH + -analytic -1.17099E+1 0E+0 3.5477E+2 0E+0 0E+0 + +Ripidolite_Cca-2 +(Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 = 0.011Ca+2 + 2.964Mg+2 + 0.215Fe+3 + 1.712Fe+2 + 2.483Al+3 - 17.468H+ + 2.633H4(SiO4) + 7.468H2O + log_k 61.350 + delta_h -633.385 #kJ/mol + # Enthalpy of formation: -8240.14 #kJ/mol #13BLA/GAI + -analytic -4.96141E+1 0E+0 3.3084E+4 0E+0 0E+0 + +Romarchite +SnO = 1.000Sn+2 - 2.000H+ + 1.000H2O + log_k 1.590 + delta_h -11.207 #kJ/mol + # Enthalpy of formation: -284.24 #kJ/mol #12GAJ/SAN + -analytic -3.73379E-1 0E+0 5.85382E+2 0E+0 0E+0 + +Rutherfordine +(UO2)(CO3) = 1.000UO2+2 + 1.000CO3-2 + log_k -14.760 #03GUI/FAN + delta_h -2.929 #kJ/mol + # Enthalpy of formation: -1691.301 #kJ/mol + -analytic -1.52731E+1 0E+0 1.52992E+2 0E+0 0E+0 + +S(cr) +S = 1.000H+ + 1.000HS- - 1.000H2O + 0.500O2 + log_k -45.130 + delta_h 263.463 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #89COX/WAG + -analytic 1.02667E+0 0E+0 -1.37616E+4 0E+0 0E+0 + +Sacchite +MnCl2 = 1.000Mn+2 + 2.000Cl- + log_k 8.770 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.77E+0 0E+0 0E+0 0E+0 0E+0 + +Sanidine +KAlSi3O8 = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O + log_k 0.580 + delta_h -65.073 #kJ/mol + # Enthalpy of formation: -3965.73 #kJ/mol #99ARN/STE + -analytic -1.08203E+1 0E+0 3.39899E+3 0E+0 0E+0 + +Saponite-Ca +Ca0.17Mg3Al0.34Si3.66O10(OH)2 = 0.170Ca+2 + 3.000Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O + log_k 31.210 + delta_h -281.165 #kJ/mol + # Enthalpy of formation: -5988.58 #kJ/mol #13BLA/VIE + -analytic -1.80479E+1 0E+0 1.46862E+4 0E+0 0E+0 + +Saponite-FeCa +Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 = 0.170Ca+2 + 2.000Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O + log_k 30.800 + delta_h -277.055 #kJ/mol + # Enthalpy of formation: -5615.69 #kJ/mol #13BLA/VIE + -analytic -1.77379E+1 0E+0 1.44716E+4 0E+0 0E+0 + +Saponite-FeK +K0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2.000Mg+2 + 0.340K+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O + log_k 28.530 + delta_h -252.722 #kJ/mol + # Enthalpy of formation: -5633.44 #kJ/mol #13BLA/VIE + -analytic -1.57449E+1 0E+0 1.32006E+4 0E+0 0E+0 + +Saponite-FeMg +Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 = 2.170Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O + log_k 30.960 + delta_h -276.935 #kJ/mol + # Enthalpy of formation: -5602.89 #kJ/mol #13BLA/VIE + -analytic -1.75569E+1 0E+0 1.44653E+4 0E+0 0E+0 + +Saponite-FeNa +Na0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2.000Mg+2 + 0.340Na+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O + log_k 29.230 + delta_h -262.550 #kJ/mol + # Enthalpy of formation: -5619.6 #kJ/mol #13BLA/VIE + -analytic -1.67667E+1 0E+0 1.37139E+4 0E+0 0E+0 + +Saponite-K +K0.34Mg3Al0.34Si3.66O10(OH)2 = 3.000Mg+2 + 0.340K+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O + log_k 28.940 + delta_h -256.832 #kJ/mol + # Enthalpy of formation: -6006.33 #kJ/mol #13BLA/VIE + -analytic -1.6055E+1 0E+0 1.34152E+4 0E+0 0E+0 + +Saponite-Mg +Mg0.17Mg3Al0.34Si3.66O10(OH)2 = 3.170Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O + log_k 31.390 + delta_h -281.035 #kJ/mol + # Enthalpy of formation: -5975.79 #kJ/mol #13BLA/VIE + -analytic -1.78451E+1 0E+0 1.46795E+4 0E+0 0E+0 + +Saponite-Na +Na0.34Mg3Al0.34Si3.66O10(OH)2 = 3.000Mg+2 + 0.340Na+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O + log_k 29.640 + delta_h -266.660 #kJ/mol + # Enthalpy of formation: -5992.49 #kJ/mol #13BLA/VIE + -analytic -1.70768E+1 0E+0 1.39286E+4 0E+0 0E+0 + +Saponite_SapCa +(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 = 0.038Ca+2 + 2.949Mg+2 + 0.021K+ + 0.394Na+ + 0.034Fe+3 + 0.021Fe+2 + 0.397Al+3 - 7.724H+ + 3.569H4(SiO4) - 2.276H2O + log_k 31.470 + delta_h -285.499 #kJ/mol + # Enthalpy of formation: -5994.06 #kJ/mol #13GAI/BLA + -analytic -1.85472E+1 0E+0 1.49126E+4 0E+0 0E+0 + +Saponite_SapCa(4.151H2O) +(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O = 0.038Ca+2 + 2.949Mg+2 + 0.021K+ + 0.394Na+ + 0.034Fe+3 + 0.021Fe+2 + 0.397Al+3 - 7.724H+ + 3.569H4(SiO4) + 1.875H2O + log_k 28.300 + delta_h -255.590 #kJ/mol + # Enthalpy of formation: -7210.45 #kJ/mol #09GAI + -analytic -1.64774E+1 0E+0 1.33504E+4 0E+0 0E+0 + +Sb(cr) +Sb = 1.000Sb(OH)3 - 1.500H2O - 0.750O2 + log_k 52.815 + delta_h -336.045 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol + -analytic -6.05738E+0 0E+0 1.75528E+4 0E+0 0E+0 + +Sb2O5(s) +Sb2O5 = 2.000Sb(OH)5 - 5.000H2O + log_k -7.400 #48TOU/MOU in 76BAE/MES + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7.4E+0 0E+0 0E+0 0E+0 0E+0 + +Schoepite +UO3:2H2O = 1.000UO2+2 - 2.000H+ + 3.000H2O + log_k 5.960 #91SAN/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5.96E+0 0E+0 0E+0 0E+0 0E+0 + +Schoepite(des) +UO3:0.9H2O = 1.000UO2+2 - 2.000H+ + 1.900H2O + log_k 5.000 + delta_h -55.777 #kJ/mol + # Enthalpy of formation: -1506.3 #kJ/mol #92GRE/FUG + -analytic -4.7717E+0 0E+0 2.91343E+3 0E+0 0E+0 + +Scolecite +CaAl2Si3O10:3H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 3.000H4(SiO4) + 1.000H2O + log_k 16.650 + delta_h -240.212 #kJ/mol + # Enthalpy of formation: -6049 #kJ/mol #83JOH/FLO + -analytic -2.54333E+1 0E+0 1.25471E+4 0E+0 0E+0 + +Se(s) +Se = 1.000H+ + 1.000HSe- - 1.000H2O + 0.500O2 + log_k -50.610 + delta_h 294.063 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG + -analytic 9.07551E-1 0E+0 -1.536E+4 0E+0 0E+0 + +Se3U(cr) +Se3U = 1.000UO2+2 + 1.000H+ + 3.000HSe- - 2.000H2O + log_k -18.270 + delta_h 47.560 #kJ/mol + # Enthalpy of formation: -452 #kJ/mol #92GRE/FUG + -analytic -9.93786E+0 0E+0 -2.48423E+3 0E+0 0E+0 + +SeO3(cr) +SeO3 = 2.000H+ + 1.000SeO4-2 - 1.000H2O + log_k 20.360 + delta_h -154.570 #kJ/mol + # Enthalpy of formation: -163.1 #kJ/mol #05OLI/NOL + -analytic -6.71946E+0 0E+0 8.07374E+3 0E+0 0E+0 + +SeU(cr) +SeU = 1.000U+4 - 3.000H+ + 1.000HSe- + 1.000H2O - 0.500O2 + log_k 80.330 + delta_h -584.663 #kJ/mol + # Enthalpy of formation: -272 #kJ/mol #05OLI/NOL + -analytic -2.20984E+1 0E+0 3.0539E+4 0E+0 0E+0 + +Si(cr) +Si = 1.000H4(SiO4) - 2.000H2O - 1.000O2 + log_k 149.170 + delta_h -877.400 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #89COX/WAG + -analytic -4.54366E+0 0E+0 4.58297E+4 0E+0 0E+0 + +SiO2(am) +SiO2 = 1.000H4(SiO4) - 2.000H2O + log_k -2.710 #00GUN/ARN + delta_h 13.522 #kJ/mol + # Enthalpy of formation: -903.056 #kJ/mol + -analytic -3.41051E-1 0E+0 -7.06302E+2 0E+0 0E+0 + +Siderite +Fe(CO3) = 1.000Fe+2 + 1.000CO3-2 + log_k -10.800 #92BRU/WER + delta_h -12.012 #kJ/mol + # Enthalpy of formation: -753.218 #kJ/mol + -analytic -1.29044E+1 0E+0 6.2743E+2 0E+0 0E+0 + +Siderophyllite +KFe2Al3Si2O10(OH)2 = 1.000K+ + 2.000Fe+2 + 3.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O + log_k 40.570 + delta_h -484.778 #kJ/mol + # Enthalpy of formation: -5628.27 #kJ/mol #90HOL/POW + -analytic -4.43593E+1 0E+0 2.53217E+4 0E+0 0E+0 + +Sm(OH)3(am) +Sm(OH)3 = 1.000Sm+3 - 3.000H+ + 3.000H2O + log_k 17.850 #98DIA/RAG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.785E+1 0E+0 0E+0 0E+0 0E+0 + +Sm(OH)3(s) +Sm(OH)3 = 1.000Sm+3 - 3.000H+ + 3.000H2O + log_k 16.130 #98DIA/RAG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.613E+1 0E+0 0E+0 0E+0 0E+0 + +Sm(cr) +Sm = 1.000Sm+3 + 1.500H2O - 3.000H+ - 0.750O2 + log_k 181.105 + delta_h -1110.844 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #79ROB/HEM + -analytic -1.35061E+1 0E+0 5.80233E+4 0E+0 0E+0 + +Sm2(CO3)3(s) +Sm2(CO3)3 = 2.000Sm+3 + 3.000CO3-2 + log_k -34.500 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.45E+1 0E+0 0E+0 0E+0 0E+0 + +Sm2(SO4)3(s) +Sm2(SO4)3 = 2.000Sm+3 + 3.000SO4-2 + log_k -9.800 #95SPA/BRU + delta_h -211.318 #kJ/mol + # Enthalpy of formation: -3899.1 #kJ/mol #82WAG/EVA + -analytic -4.68213E+1 0E+0 1.10379E+4 0E+0 0E+0 + +Sm2O3(s) +Sm2O3 = 2.000Sm+3 - 6.000H+ + 3.000H2O + log_k 43.110 + delta_h -355.039 #kJ/mol + # Enthalpy of formation: -1884.849 #kJ/mol + -analytic -1.90901E+1 0E+0 1.8545E+4 0E+0 0E+0 + +SmCl3:6H2O(s) +SmCl3:6H2O = 1.000Sm+3 + 3.000Cl- + 6.000H2O + log_k 4.800 #96FAL/REA + delta_h -38.311 #kJ/mol + # Enthalpy of formation: -2869.108 #kJ/mol + -analytic -1.91179E+0 0E+0 2.00112E+3 0E+0 0E+0 + +SmF3:0.5H2O(s) +SmF3:0.5H2O = 1.000Sm+3 + 3.000F- + 0.500H2O + log_k -17.500 #95SPA/BRU + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.75E+1 0E+0 0E+0 0E+0 0E+0 + +SmOHCO3(cr) +SmOHCO3 = 1.000Sm+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O + log_k -10.230 + delta_h -38.859 #kJ/mol + # Enthalpy of formation: -1613.4 #kJ/mol #05ROR/FUG + -analytic -1.70378E+1 0E+0 2.02974E+3 0E+0 0E+0 + +SmOHCO3:0.5H2O(cr) +SmOHCO3:0.5H2O = 1.000Sm+3 - 1.000H+ + 1.000CO3-2 + 1.500H2O + log_k -7.310 + delta_h -51.074 #kJ/mol + # Enthalpy of formation: -1744.1 #kJ/mol #05ROR/FUG + -analytic -1.62578E+1 0E+0 2.66778E+3 0E+0 0E+0 + +SmPO4:H2O(am) +SmPO4:H2O = 1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O + log_k -5.000 #05CET/WOO + delta_h -26.480 #kJ/mol + # Enthalpy of formation: -2253.149 #kJ/mol #05CET/WOO + -analytic -9.63909E+0 0E+0 1.38314E+3 0E+0 0E+0 + +SmPO4:H2O(cr) +SmPO4:H2O = 1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O + log_k -6.670 #97LIU/BYR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.67E+0 0E+0 0E+0 0E+0 0E+0 + +SmectiteMX80 +Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 1.860Al+3 + 3.738H4(SiO4) + 0.035Fe+2 - 2.952H2O - 7.048H+ + log_k 5.270 + delta_h -184.029 #kJ/mol + # Enthalpy of formation: -5656.37 #kJ/mol #12GAI/BLA + -analytic -2.69704E+1 0E+0 9.61249E+3 0E+0 0E+0 + +Smectite_MX80(3.989H2O) +(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 0.035Fe+2 + 1.860Al+3 - 7.048H+ + 3.738H4(SiO4) + 1.037H2O + log_k 1.780 + delta_h -157.245 #kJ/mol + # Enthalpy of formation: -6823.33 #kJ/mol #12GAI/BLA + -analytic -2.57681E+1 0E+0 8.21347E+3 0E+0 0E+0 + +Smectite_MX80(5.189H2O) +(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 0.035Fe+2 + 1.860Al+3 - 7.048H+ + 3.738H4(SiO4) + 2.237H2O + log_k 1.440 + delta_h -149.152 #kJ/mol + # Enthalpy of formation: -7174.42 #kJ/mol #12GAI/BLA + -analytic -2.46903E+1 0E+0 7.79074E+3 0E+0 0E+0 + +Sn(OH)4(s) +Sn(OH)4 = 1.000Sn+4 - 4.000H+ + 4.000H2O + log_k -1.280 #70BAR/KLI in 01SEB/POT + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.28E+0 0E+0 0E+0 0E+0 0E+0 + +Sn(OH)Cl(s) +Sn(OH)Cl = 1.000Sn+2 - 1.000H+ + 1.000Cl- + 1.000H2O + log_k -2.420 #30RAN/MUR recalculated in 99LOT/OCH + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.42E+0 0E+0 0E+0 0E+0 0E+0 + +Sn(cr)(alfa) +Sn = 1.000Sn+2 + 1.000H2O - 2.000H+ - 0.500O2 + log_k 47.810 + delta_h -287.400 #kJ/mol + # Enthalpy of formation: -1.98 #kJ/mol #12GAJ/SAN + -analytic -2.54024E+0 0E+0 1.50119E+4 0E+0 0E+0 + +Sn(cr)(beta) +Sn = 1.000Sn+2 + 1.000H2O - 2.000H+ - 0.500O2 + log_k 47.790 + delta_h -289.380 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #89COX/WAG + -analytic -2.90713E+0 0E+0 1.51153E+4 0E+0 0E+0 + +SnO2(am) +SnO2 = 1.000Sn+4 - 4.000H+ + 2.000H2O + log_k -15.600 + delta_h -25.529 #kJ/mol + # Enthalpy of formation: -577.63 #kJ/mol #12GAJ/SAN + -analytic -2.00725E+1 0E+0 1.33347E+3 0E+0 0E+0 + +SnSe(alfa) +SnSe = 1.000Sn+2 - 1.000H+ + 1.000HSe- + log_k -21.670 + delta_h 114.183 #kJ/mol + # Enthalpy of formation: -109.5 #kJ/mol #05OLI/NOL + -analytic -1.66603E+0 0E+0 -5.96418E+3 0E+0 0E+0 + +SnSe2(s) +SnSe2 = 1.000Sn+2 + 2.000HSe- - 1.000H2O + 0.500O2 + log_k -73.780 + delta_h 413.646 #kJ/mol + # Enthalpy of formation: -114.9 #kJ/mol #05OLI/NOL + -analytic -1.31244E+0 0E+0 -2.16062E+4 0E+0 0E+0 + +Soddyite(synt1) +(UO2)2SiO4:2H2O = 2.000UO2+2 - 4.000H+ + 1.000H4(SiO4) + 2.000H2O + log_k 3.900 #97PER/CAS + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0 + +Soddyite(synt2) +(UO2)2SiO4:2H2O = 2.000UO2+2 - 4.000H+ + 1.000H4(SiO4) + 2.000H2O + log_k 6.430 #07GOR/MAZ + delta_h -25.454 #kJ/mol + # Enthalpy of formation: -4045.4 #kJ/mol #07GOR/MAZ + -analytic 1.97066E+0 0E+0 1.32955E+3 0E+0 0E+0 + +Sodium-compreignacite +Na2(UO2)6O4(OH)6:7H2O = 2.000Na+ + 6.000UO2+2 - 14.000H+ + 17.000H2O + log_k 39.400 #08GOR/FEI + delta_h -517.390 #kJ/mol + # Enthalpy of formation: -10936.4 #kJ/mol #06KUB/HEL + -analytic -5.12427E+1 0E+0 2.70251E+4 0E+0 0E+0 + +Sphaerocobaltite +CoCO3 = 1.000Co+2 + 1.000CO3-2 + log_k -11.200 #99GRA + delta_h -9.421 #kJ/mol + # Enthalpy of formation: -723.409 #kJ/mol + -analytic -1.28505E+1 0E+0 4.92092E+2 0E+0 0E+0 + +Sr(HPO4)(s) +Sr(HPO4) = 1.000Sr+2 - 1.000H+ + 1.000H2(PO4)- + log_k 0.280 #97MAR/SMI + delta_h -19.487 #kJ/mol + # Enthalpy of formation: -1834.012 #kJ/mol + -analytic -3.13397E+0 0E+0 1.01788E+3 0E+0 0E+0 + +Sr(NO3)2(cr) +Sr(NO3)2 = 1.000Sr+2 + 2.000NO3- + log_k 0.400 + delta_h 17.760 #kJ/mol + # Enthalpy of formation: -982.36 #kJ/mol #92GRE/FUG + -analytic 3.51141E+0 0E+0 -9.27668E+2 0E+0 0E+0 + +Sr(NO3)2:2H2O(s) +Sr(NO3)2:2H2O = 1.000Sr+2 + 2.000NO3- + 2.000H2O + log_k 0.050 #25/08/1994 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 5E-2 0E+0 0E+0 0E+0 0E+0 + +Sr(NO3)2:4H2O(s) +Sr(NO3)2:4H2O = 1.000Sr+2 + 2.000NO3- + 4.000H2O + log_k -0.870 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -8.7E-1 0E+0 0E+0 0E+0 0E+0 + +Sr(OH)2(s) +Sr(OH)2 = 1.000Sr+2 - 2.000H+ + 2.000H2O + log_k 27.510 + delta_h -153.670 #kJ/mol + # Enthalpy of formation: -968.89 #kJ/mol #98CHA + -analytic 5.88211E-1 0E+0 8.02673E+3 0E+0 0E+0 + +Sr(OH)2:8H2O(s) +Sr(OH)2:8H2O = 1.000Sr+2 - 2.000H+ + 10.000H2O + log_k 24.320 #98FEL/DIX + delta_h -57.000 #kJ/mol + # Enthalpy of formation: -3352.2 #kJ/mol #82WAG/EVA + -analytic 1.4334E+1 0E+0 2.97731E+3 0E+0 0E+0 + +Sr(SeO3)(cr) +Sr(SeO3) = 1.000Sr+2 + 1.000SeO3-2 + log_k -6.300 #05OLI/NOL + delta_h -6.160 #kJ/mol + # Enthalpy of formation: -1051.9 #kJ/mol #05OLI/NOL + -analytic -7.37918E+0 0E+0 3.21759E+2 0E+0 0E+0 + +Sr(SeO4)(s) +Sr(SeO4) = 1.000Sr+2 + 1.000SeO4-2 + log_k -4.350 #Original source 59SEL/ZUB recalculated in 05OLI/NOL + delta_h -21.841 #kJ/mol + # Enthalpy of formation: -1132.559 #kJ/mol + -analytic -8.17637E+0 0E+0 1.14083E+3 0E+0 0E+0 + +Sr(cr) +Sr = 1.000Sr+2 + 1.000H2O - 2.000H+ - 0.500O2 + log_k 141.780 + delta_h -830.663 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol + -analytic -3.7457E+0 0E+0 4.33885E+4 0E+0 0E+0 + +Sr2SiO4(s) +Sr2SiO4 = 2.000Sr+2 - 4.000H+ + 1.000H4(SiO4) + log_k 43.250 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 4.325E+1 0E+0 0E+0 0E+0 0E+0 + +Sr3(AsO4)2(s) +Sr3(AsO4)2 = 3.000Sr+2 + 2.000AsO4-3 + log_k -16.080 + delta_h -109.493 #kJ/mol + # Enthalpy of formation: -3319.487 #kJ/mol + -analytic -3.52623E+1 0E+0 5.71921E+3 0E+0 0E+0 + +Sr3(PO4)2(s) +Sr3(PO4)2 = 3.000Sr+2 - 4.000H+ + 2.000H2(PO4)- + log_k 10.530 #06BLA/ING + delta_h -147.900 #kJ/mol + # Enthalpy of formation: -4110 #kJ/mol #97KHA/JEM + -analytic -1.53809E+1 0E+0 7.72534E+3 0E+0 0E+0 + +Sr5(PO4)3(OH)(s) +Sr5(PO4)3(OH) = 5.000Sr+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O + log_k 7.170 #05KIM/PAR + delta_h -261.630 #kJ/mol + # Enthalpy of formation: -6686.5 #kJ/mol #95JEM/CHE + -analytic -3.86655E+1 0E+0 1.36659E+4 0E+0 0E+0 + +SrBr2(s) +SrBr2 = 1.000Sr+2 + 2.000Br- + log_k 12.500 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.25E+1 0E+0 0E+0 0E+0 0E+0 + +SrBr2:6H2O(s) +SrBr2:6H2O = 1.000Sr+2 + 2.000Br- + 6.000H2O + log_k 2.820 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 2.82E+0 0E+0 0E+0 0E+0 0E+0 + +SrBr2:H2O(s) +SrBr2:H2O = 1.000Sr+2 + 2.000Br- + 1.000H2O + log_k 8.800 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.8E+0 0E+0 0E+0 0E+0 0E+0 + +SrCl2(s) +SrCl2 = 1.000Sr+2 + 2.000Cl- + log_k 8.120 + delta_h -56.210 #kJ/mol + # Enthalpy of formation: -828.85 #kJ/mol #98CHA + -analytic -1.72755E+0 0E+0 2.93605E+3 0E+0 0E+0 + +SrCl2:2H2O(s) +SrCl2:2H2O = 1.000Sr+2 + 2.000Cl- + 2.000H2O + log_k 3.470 + delta_h -18.720 #kJ/mol + # Enthalpy of formation: -1438 #kJ/mol #82WAG/EVA + -analytic 1.90402E-1 0E+0 9.77812E+2 0E+0 0E+0 + +SrCl2:6H2O(s) +SrCl2:6H2O = 1.000Sr+2 + 2.000Cl- + 6.000H2O + log_k 1.610 + delta_h 23.760 #kJ/mol + # Enthalpy of formation: -2623.8 #kJ/mol #82WAG/EVA + -analytic 5.77257E+0 0E+0 -1.24107E+3 0E+0 0E+0 + +SrCl2:H2O(s) +SrCl2:H2O = 1.000Sr+2 + 2.000Cl- + 1.000H2O + log_k 4.910 + delta_h -34.090 #kJ/mol + # Enthalpy of formation: -1136.8 #kJ/mol #82WAG/EVA + -analytic -1.0623E+0 0E+0 1.78064E+3 0E+0 0E+0 + +SrCrO4(s) +SrCrO4 = 1.000Sr+2 + 1.000CrO4-2 + log_k -4.650 #97MAR/SMI + delta_h -10.125 #kJ/mol #97MAR/SMI + # Enthalpy of formation: -1419.775 #kJ/mol + -analytic -6.42382E+0 0E+0 5.28865E+2 0E+0 0E+0 + +SrF2(cr) +SrF2 = 1.000Sr+2 + 2.000F- + log_k -8.540 #96FAL/REA + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -8.54E+0 0E+0 0E+0 0E+0 0E+0 + +SrMoO4(s) +SrMoO4 = 1.000Sr+2 + 1.000MoO4-2 + log_k -6.590 #54RAO in 74OHA/KEN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -6.59E+0 0E+0 0E+0 0E+0 0E+0 + +SrO(cr) +SrO = 1.000Sr+2 - 2.000H+ + 1.000H2O + log_k 41.980 + delta_h -244.690 #kJ/mol + # Enthalpy of formation: -592.04 #kJ/mol #98CHA + -analytic -8.87785E-1 0E+0 1.2781E+4 0E+0 0E+0 + +SrS(s) +SrS = 1.000Sr+2 - 1.000H+ + 1.000HS- + log_k 14.680 # + delta_h -93.570 #kJ/mol + # Enthalpy of formation: -473.63 #kJ/mol #82WAG/EVA + -analytic -1.71274E+0 0E+0 4.88749E+3 0E+0 0E+0 + +SrSiO3(s) +SrSiO3 = 1.000Sr+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O + log_k 13.160 + delta_h -80.278 #kJ/mol + # Enthalpy of formation: -1645.986 #kJ/mol #74NAU/RYZ + -analytic -9.04081E-1 0E+0 4.19321E+3 0E+0 0E+0 + +SrZrSi2O7(cr) +SrZrSi2O7 = 1.000Sr+2 - 6.000H+ + 2.000H4(SiO4) + 1.000Zr+4 - 1.000H2O + log_k 5.200 + delta_h -155.158 #kJ/mol + # Enthalpy of formation: -3640.8 #kJ/mol #05BRO/CUR + -analytic -2.19825E+1 0E+0 8.10445E+3 0E+0 0E+0 + +Stellerite +Ca2Al4Si14O36:14H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 14.000H4(SiO4) - 6.000H2O + log_k 6.990 + delta_h -325.096 #kJ/mol + # Enthalpy of formation: -21656.24 #kJ/mol #01FRI/NEU + -analytic -4.99643E+1 0E+0 1.69809E+4 0E+0 0E+0 + +Stibnite +Sb2S3 = 3.000H+ + 3.000HS- + 2.000Sb(OH)3 - 6.000H2O + log_k -56.030 + delta_h 269.695 #kJ/mol + # Enthalpy of formation: -151.4 #kJ/mol #95ROB/HEM + -analytic -8.78153E+0 0E+0 -1.40871E+4 0E+0 0E+0 + +Stilbite +NaCa2(Al5Si13)O36:16H2O = 2.000Ca+2 + 1.000Na+ + 5.000Al+3 - 20.000H+ + 13.000H4(SiO4) + log_k 23.050 + delta_h -434.152 #kJ/mol + # Enthalpy of formation: -22579.71 #kJ/mol #01FRI/NEU + -analytic -5.30101E+1 0E+0 2.26773E+4 0E+0 0E+0 + +Stilleite +ZnSe = 1.000Zn+2 - 1.000H+ + 1.000HSe- + log_k -12.050 + delta_h 36.910 #kJ/mol + # Enthalpy of formation: -176 #kJ/mol #05OLI/NOL + -analytic -5.58366E+0 0E+0 -1.92794E+3 0E+0 0E+0 + +Stratlingite +Ca2Al2SiO3(OH)8:4H2O = 2.000Ca+2 + 2.000Al+3 - 10.000H+ + 1.000H4(SiO4) + 11.000H2O + log_k 49.660 #10BLA/BOU + delta_h -397.795 #kJ/mol + # Enthalpy of formation: -6370.329 #kJ/mol + -analytic -2.00306E+1 0E+0 2.07782E+4 0E+0 0E+0 + +Strontianite +Sr(CO3) = 1.000Sr+2 + 1.000CO3-2 + log_k -9.270 #84BUS/PLU + delta_h -0.366 #kJ/mol + # Enthalpy of formation: -1225.764 #kJ/mol + -analytic -9.33412E+0 0E+0 1.91175E+1 0E+0 0E+0 + +Sudoite +Mg2Al4Si3O10(OH)8 = 2.000Mg+2 + 4.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O + log_k 37.960 + delta_h -530.892 #kJ/mol + # Enthalpy of formation: -8655.27 #kJ/mol #05VID/PAR + -analytic -5.50481E+1 0E+0 2.77304E+4 0E+0 0E+0 + +Sylvite +KCl = 1.000K+ + 1.000Cl- + log_k 0.870 + delta_h 17.460 #kJ/mol + # Enthalpy of formation: -436.68 #kJ/mol #98CHA + -analytic 3.92886E+0 0E+0 -9.11998E+2 0E+0 0E+0 + +Syngenite +K2Ca(SO4)2:6H2O = 1.000Ca+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O + log_k -7.450 #84HAR/MOL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -7.45E+0 0E+0 0E+0 0E+0 0E+0 + +Tachyhydrite +Mg2CaCl6:12H2O = 1.000Ca+2 + 2.000Mg+2 + 6.000Cl- + 12.000H2O + log_k 17.380 #84HAR/MOL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.738E+1 0E+0 0E+0 0E+0 0E+0 + +Talc +Mg3Si4O10(OH)2 = 3.000Mg+2 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O + log_k 24.940 + delta_h -210.356 #kJ/mol + # Enthalpy of formation: -5892.1 #kJ/mol #01KAH/MAR + -analytic -1.19127E+1 0E+0 1.09876E+4 0E+0 0E+0 + +Tc(cr) +Tc = 1.000TcO(OH)2 - 1.000H2O - 1.000O2 + log_k 60.900 + delta_h -451.356 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #99RAR/RAN + -analytic -1.81741E+1 0E+0 2.35759E+4 0E+0 0E+0 + +Tc2O7(s) +Tc2O7 = 2.000H+ + 2.000TcO4- - 1.000H2O + log_k 15.310 + delta_h -46.470 #kJ/mol + # Enthalpy of formation: -1126.5 #kJ/mol #99RAR/RAN + -analytic 7.16882E+0 0E+0 2.42729E+3 0E+0 0E+0 + +Tc2O7:H2O(s) +Tc2O7:H2O = 2.000H+ + 2.000TcO4- + log_k 14.100 + delta_h -44.654 #kJ/mol + # Enthalpy of formation: -1414.146 #kJ/mol #99RAR/RAN + -analytic 6.27697E+0 0E+0 2.33244E+3 0E+0 0E+0 + +TcO2(cr) +TcO2 = 1.000TcO(OH)2 - 1.000H2O + log_k -9.140 #97NGU/LAN + delta_h -5.690 #kJ/mol + # Enthalpy of formation: -457.8 #kJ/mol #99RAR/RAN + -analytic -1.01368E+1 0E+0 2.97209E+2 0E+0 0E+0 + +TcO2:1.63H2O(s) +TcO2:1.63H2O = 1.000TcO(OH)2 + 0.630H2O + log_k -8.400 #99RAR/RAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -8.4E+0 0E+0 0E+0 0E+0 0E+0 + +Th(HPO4)2(s) +Th(HPO4)2 = 1.000Th+4 - 2.000H+ + 2.000H2(PO4)- + log_k -16.110 #Estimated from An(IV) correlations + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.611E+1 0E+0 0E+0 0E+0 0E+0 + +Th(SO4)2:9H2O(cr) +Th(SO4)2:9H2O = 1.000Th+4 + 2.000SO4-2 + 9.000H2O + log_k -11.250 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.125E+1 0E+0 0E+0 0E+0 0E+0 + +Th(cr) +Th = 1.000Th+4 + 2.000H2O - 4.000H+ - 1.000O2 + log_k 209.450 + delta_h -1328.226 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #09RAN/FUG + -analytic -2.32449E+1 0E+0 6.9378E+4 0E+0 0E+0 + +ThF4(cr) +ThF4 = 1.000Th+4 + 4.000F- + log_k -19.110 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.911E+1 0E+0 0E+0 0E+0 0E+0 + +ThO2(aged) +ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O + log_k 8.500 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0 + +ThO2(coll) +ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O + log_k 11.100 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.11E+1 0E+0 0E+0 0E+0 0E+0 + +ThO2(cr) +ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O + log_k 1.770 + delta_h -113.960 #kJ/mol + # Enthalpy of formation: -1226.4 #kJ/mol #09RAN/FUG + -analytic -1.81949E+1 0E+0 5.95254E+3 0E+0 0E+0 + +ThO2(fresh) +ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O + log_k 9.300 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.3E+0 0E+0 0E+0 0E+0 0E+0 + +ThO2(mcr) +ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O + log_k 3.000 #09RAN/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 3E+0 0E+0 0E+0 0E+0 0E+0 + +Thermonatrite +Na2(CO3):H2O = 2.000Na+ + 1.000CO3-2 + 1.000H2O + log_k 0.480 #84HAR/MOL + delta_h -12.040 #kJ/mol + # Enthalpy of formation: -1429.7 #kJ/mol #82VAN + -analytic -1.62931E+0 0E+0 6.28892E+2 0E+0 0E+0 + +Thernardite +Na2SO4 = 2.000Na+ + 1.000SO4-2 + log_k -0.360 + delta_h -2.200 #kJ/mol + # Enthalpy of formation: -1387.82 #kJ/mol #98CHA + -analytic -7.45423E-1 0E+0 1.14914E+2 0E+0 0E+0 + +Tiemannite +HgSe = 1.000Hg+2 - 1.000H+ + 1.000HSe- + log_k -45.430 + delta_h 241.521 #kJ/mol + # Enthalpy of formation: -57.011 #kJ/mol + -analytic -3.1174E+0 0E+0 -1.26155E+4 0E+0 0E+0 + +Tobermorite-11A +Ca5Si6O16.5(OH):5H2O = 5.000Ca+2 - 10.000H+ + 6.000H4(SiO4) - 1.500H2O + log_k 65.580 #10BLA/BOU + delta_h -372.499 #kJ/mol + # Enthalpy of formation: -10680.92 #kJ/mol #00ZUE/FEH + -analytic 3.21072E-1 0E+0 1.94569E+4 0E+0 0E+0 + +Tobermorite-14A +Ca5Si6O16.5(OH):10H2O = 5.000Ca+2 - 10.000H+ + 6.000H4(SiO4) + 3.500H2O + log_k 62.940 #10BLA/BOU + delta_h -307.419 #kJ/mol + # Enthalpy of formation: -12175.15 #kJ/mol #10BLA/BOU + -analytic 9.08258E+0 0E+0 1.60576E+4 0E+0 0E+0 + +Trevorite +Fe2NiO4 = 2.000Fe+3 + 1.000Ni+2 - 8.000H+ + 4.000H2O + log_k 9.400 + delta_h -214.413 #kJ/mol + # Enthalpy of formation: -1081.173 #kJ/mol + -analytic -2.81635E+1 0E+0 1.11996E+4 0E+0 0E+0 + +Troilite +FeS = 1.000Fe+2 - 1.000H+ + 1.000HS- + log_k -5.310 #91DAV + delta_h 2.015 #kJ/mol + # Enthalpy of formation: -108.315 #kJ/mol + -analytic -4.95699E+0 0E+0 -1.05251E+2 0E+0 0E+0 + +Trona +Na3H(CO3)2:2H2O = 3.000Na+ + 1.000H+ + 2.000CO3-2 + 2.000H2O + log_k -11.380 #84HAR/MOL + delta_h 38.960 #kJ/mol + # Enthalpy of formation: -2682.1 #kJ/mol #82VAN + -analytic -4.55451E+0 0E+0 -2.03502E+3 0E+0 0E+0 + +Truscottite +Ca7Si12O29(OH)4:H2O = 7.000Ca+2 - 14.000H+ + 12.000H4(SiO4) - 14.000H2O + log_k 77.080 + delta_h -479.088 #kJ/mol + # Enthalpy of formation: -16854.62 #kJ/mol #10BLA/BOU + -analytic -6.85249E+0 0E+0 2.50245E+4 0E+0 0E+0 + +U(HPO4)2:4H2O(s) +U(HPO4)2:4H2O = 1.000U+4 - 2.000H+ + 2.000H2(PO4)- + 4.000H2O + log_k -16.070 #92GRE/FUG + delta_h -4.902 #kJ/mol + # Enthalpy of formation: -4334.819 #kJ/mol + -analytic -1.69288E+1 0E+0 2.56049E+2 0E+0 0E+0 + +U(OH)2(SO4)(cr) +U(OH)2(SO4) = 1.000U+4 - 2.000H+ + 1.000SO4-2 + 2.000H2O + log_k -3.170 #92GRE/FUG + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -3.17E+0 0E+0 0E+0 0E+0 0E+0 + +U(SO4)2(cr) +U(SO4)2 = 1.000U+4 + 2.000SO4-2 + log_k -11.680 + delta_h -100.280 #kJ/mol + # Enthalpy of formation: -2309.6 #kJ/mol #92GRE/FUG + -analytic -2.92483E+1 0E+0 5.23798E+3 0E+0 0E+0 + +U(SO4)2:4H2O(cr) +U(SO4)2:4H2O = 1.000U+4 + 2.000SO4-2 + 4.000H2O + log_k -11.720 + delta_h -70.000 #kJ/mol + # Enthalpy of formation: -3483.2 #kJ/mol #92GRE/FUG + -analytic -2.39835E+1 0E+0 3.65635E+3 0E+0 0E+0 + +U(SO4)2:8H2O(cr) +U(SO4)2:8H2O = 1.000U+4 + 2.000SO4-2 + 8.000H2O + log_k -12.770 + delta_h -33.920 #kJ/mol + # Enthalpy of formation: -4662.6 #kJ/mol #92GRE/FUG + -analytic -1.87125E+1 0E+0 1.77176E+3 0E+0 0E+0 + +U(cr) +U = 1.000U+4 + 2.000H2O - 4.000H+ - 1.000O2 + log_k 178.810 + delta_h -1150.726 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG + -analytic -2.27882E+1 0E+0 6.01065E+4 0E+0 0E+0 + +U2O7Ba(cr) +U2O7Ba = 1.000Ba+2 + 2.000UO2+2 - 6.000H+ + 3.000H2O + log_k 21.390 + delta_h -193.090 #kJ/mol + # Enthalpy of formation: -3237.2 #kJ/mol #92GRE/FUG + -analytic -1.24379E+1 0E+0 1.00858E+4 0E+0 0E+0 + +U2O7Ba2(cr) +U2O7Ba2 = 2.000Ba+2 + 2.000UO2+ - 6.000H+ + 3.000H2O + log_k 35.350 + delta_h -237.344 #kJ/mol + # Enthalpy of formation: -3740 #kJ/mol #92GRE/FUG + -analytic -6.23082E+0 0E+0 1.23973E+4 0E+0 0E+0 + +U2O7Na2(s) +U2O7Na2 = 2.000Na+ + 2.000UO2+2 - 6.000H+ + 3.000H2O + log_k 22.600 + delta_h -172.370 #kJ/mol + # Enthalpy of formation: -3203.8 #kJ/mol #92GRE/FUG + -analytic -7.59788E+0 0E+0 9.0035E+3 0E+0 0E+0 + +U3As4(s) +U3As4 = 3.000UO2+2 - 3.000H2O + 6.000H+ + 4.000AsO4-3 - 9.500O2 + log_k 730.640 + delta_h -4916.797 #kJ/mol + # Enthalpy of formation: -720 #kJ/mol #03GUI/FAN + -analytic -1.30745E+2 0E+0 2.56822E+5 0E+0 0E+0 + +UAs(s) +UAs = 1.000UO2+2 - 0.500H2O + 1.000H+ + 1.000AsO4-3 - 2.750O2 + log_k 225.935 + delta_h -1496.557 #kJ/mol + # Enthalpy of formation: -234.3 #kJ/mol #03GUI/FAN + -analytic -3.62501E+1 0E+0 7.81705E+4 0E+0 0E+0 + +UAs2(s) +UAs2 = 1.000UO2+2 - 2.000H2O + 4.000H+ + 2.000AsO4-3 - 4.000O2 + log_k 278.200 + delta_h -1923.084 #kJ/mol + # Enthalpy of formation: -252 #kJ/mol #03GUI/FAN + -analytic -5.87094E+1 0E+0 1.0045E+5 0E+0 0E+0 + +UO2(CO3)3Mg2:18H2O(s) +UO2(CO3)3Mg2:18H2O = 2.000Mg+2 + 1.000UO2+2 + 3.000CO3-2 + 18.000H2O + log_k -29.010 + delta_h 40.570 #kJ/mol + # Enthalpy of formation: -9164.2 #kJ/mol #99CHE/EWI + -analytic -2.19025E+1 0E+0 -2.11912E+3 0E+0 0E+0 + +UO2(CO3)3Na4(cr) +UO2(CO3)3Na4 = 4.000Na+ + 1.000UO2+2 + 3.000CO3-2 + log_k -27.180 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.718E+1 0E+0 0E+0 0E+0 0E+0 + +UO2(HPO4):4H2O(cr) +UO2(HPO4):4H2O = 1.000UO2+2 - 1.000H+ + 1.000H2(PO4)- + 4.000H2O + log_k -4.640 #92GRE/FUG + delta_h 5.048 #kJ/mol + # Enthalpy of formation: -3469.968 #kJ/mol + -analytic -3.75563E+0 0E+0 -2.63675E+2 0E+0 0E+0 + +UO2(OH)2(beta) +UO2(OH)2 = 1.000UO2+2 - 2.000H+ + 2.000H2O + log_k 4.930 + delta_h -56.860 #kJ/mol + # Enthalpy of formation: -1533.8 #kJ/mol #92GRE/FUG + -analytic -5.03143E+0 0E+0 2.97E+3 0E+0 0E+0 + +UO2(Ox):3H2O(s) +UO2(Ox):3H2O = 1.000UO2+2 + 1.000Ox-2 + 3.000H2O + log_k -8.930 #05HUM/AND + delta_h -5.160 #kJ/mol #05HUM/AND + # Enthalpy of formation: -2701.99 #kJ/mol + -analytic -9.83399E+0 0E+0 2.69525E+2 0E+0 0E+0 + +UO2(SO3)(cr) +UO2(SO3) = 1.000UO2+2 + 1.000SO3-2 + log_k -15.830 + delta_h 6.450 #kJ/mol + # Enthalpy of formation: -1661 #kJ/mol #92GRE/FUG + -analytic -1.47E+1 0E+0 -3.36906E+2 0E+0 0E+0 + +UO2(SO4)(cr) +UO2(SO4) = 1.000UO2+2 + 1.000SO4-2 + log_k 1.890 #92GRE/FUG + delta_h -83.200 #kJ/mol + # Enthalpy of formation: -1845.14 #kJ/mol #92GRE/FUG + -analytic -1.2686E+1 0E+0 4.34583E+3 0E+0 0E+0 + +UO2(SO4):2.5H2O(cr) +UO2(SO4):2.5H2O = 1.000UO2+2 + 1.000SO4-2 + 2.500H2O + log_k -1.590 + delta_h -35.915 #kJ/mol + # Enthalpy of formation: -2607 #kJ/mol #92GRE/FUG + -analytic -7.88203E+0 0E+0 1.87597E+3 0E+0 0E+0 + +UO2(SO4):3.5H2O(cr) +UO2(SO4):3.5H2O = 1.000UO2+2 + 1.000SO4-2 + 3.500H2O + log_k -1.590 + delta_h -27.145 #kJ/mol + # Enthalpy of formation: -2901.6 #kJ/mol #92GRE/FUG + -analytic -6.34559E+0 0E+0 1.41788E+3 0E+0 0E+0 + +UO2(SO4):3H2O(cr) +UO2(SO4):3H2O = 1.000UO2+2 + 1.000SO4-2 + 3.000H2O + log_k -1.500 #92GRE/FUG + delta_h -34.330 #kJ/mol + # Enthalpy of formation: -2751.5 #kJ/mol #92GRE/FUG + -analytic -7.51435E+0 0E+0 1.79318E+3 0E+0 0E+0 + +UO2.25(s) +UO2.25 = 1.000U+4 - 4.000H+ + 2.000H2O + 0.125O2 + log_k -11.748 + delta_h -36.377 #kJ/mol + # Enthalpy of formation: -1128 #kJ/mol #92GRE/FUG + -analytic -1.81205E+1 0E+0 1.90011E+3 0E+0 0E+0 + +UO2.34(beta) +UO2.34 = 1.000U+4 - 4.000H+ + 2.000H2O + 0.170O2 + log_k -13.987 + delta_h -22.008 #kJ/mol + # Enthalpy of formation: -1141 #kJ/mol #03GUI/FAN + -analytic -1.78422E+1 0E+0 1.14953E+3 0E+0 0E+0 + +UO2.67(s) +UO2.67 = 1.000U+4 - 4.000H+ + 2.000H2O + 0.335O2 + log_k -21.953 + delta_h 25.618 #kJ/mol + # Enthalpy of formation: -1191.6 #kJ/mol #92GRE/FUG + -analytic -1.74652E+1 0E+0 -1.33813E+3 0E+0 0E+0 + +UO2:2H2O(am) +UO2:2H2O = 1.000U+4 - 4.000H+ + 4.000H2O + log_k 1.500 #03GUI/FAN + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0 + +UO3(alfa) +UO3 = 1.000UO2+2 - 2.000H+ + 1.000H2O + log_k 9.520 + delta_h -92.420 #kJ/mol + # Enthalpy of formation: -1212.41 #kJ/mol #03GUI/FAN + -analytic -6.67127E+0 0E+0 4.82743E+3 0E+0 0E+0 + +UO3(beta) +UO3 = 1.000UO2+2 - 2.000H+ + 1.000H2O + log_k 8.300 + delta_h -84.530 #kJ/mol + # Enthalpy of formation: -1220.3 #kJ/mol #92GRE/FUG + -analytic -6.509E+0 0E+0 4.4153E+3 0E+0 0E+0 + +UO3Na(s) +UO3Na = 1.000Na+ + 1.000UO2+ - 2.000H+ + 1.000H2O + log_k 8.340 + delta_h -56.397 #kJ/mol + # Enthalpy of formation: -1494.9 #kJ/mol #92GRE/FUG + -analytic -1.54032E+0 0E+0 2.94582E+3 0E+0 0E+0 + +UO4Ba(s) +UO4Ba = 1.000Ba+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O + log_k 17.640 + delta_h -131.660 #kJ/mol + # Enthalpy of formation: -1993.8 #kJ/mol #92GRE/FUG + -analytic -5.42581E+0 0E+0 6.87707E+3 0E+0 0E+0 + +UO4Ca(cr) +UO4Ca = 1.000Ca+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O + log_k 15.930 + delta_h -131.360 #kJ/mol + # Enthalpy of formation: -2002.3 #kJ/mol #92GRE/FUG + -analytic -7.08325E+0 0E+0 6.8614E+3 0E+0 0E+0 + +UO4Li2(s) +UO4Li2 = 2.000Li+ + 1.000UO2+2 - 4.000H+ + 2.000H2O + log_k 27.940 + delta_h -179.400 #kJ/mol + # Enthalpy of formation: -1968.2 #kJ/mol #92GRE/FUG + -analytic -3.48948E+0 0E+0 9.3707E+3 0E+0 0E+0 + +UO4Mg(cr) +UO4Mg = 1.000Mg+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O + log_k 23.230 + delta_h -200.360 #kJ/mol + # Enthalpy of formation: -1857.3 #kJ/mol #92GRE/FUG + -analytic -1.18715E+1 0E+0 1.04655E+4 0E+0 0E+0 + +UO4Na2(alfa) +UO4Na2 = 2.000Na+ + 1.000UO2+2 - 4.000H+ + 2.000H2O + log_k 30.030 + delta_h -173.640 #kJ/mol + # Enthalpy of formation: -1897.7 #kJ/mol #92GRE/FUG + -analytic -3.90378E-1 0E+0 9.06984E+3 0E+0 0E+0 + +UO4Na3(cr) +UO4Na3 = 3.000Na+ + 1.000UO2+ - 4.000H+ + 2.000H2O + log_k 56.280 + delta_h -293.807 #kJ/mol + # Enthalpy of formation: -2024 #kJ/mol #92GRE/FUG + -analytic 4.8073E+0 0E+0 1.53466E+4 0E+0 0E+0 + +UO4Sr(alfa) +UO4Sr = 1.000Sr+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O + log_k 19.160 + delta_h -151.960 #kJ/mol + # Enthalpy of formation: -1989.6 #kJ/mol #92GRE/FUG + -analytic -7.46221E+0 0E+0 7.93741E+3 0E+0 0E+0 + +UO6Ba3(cr) +UO6Ba3 = 3.000Ba+2 + 1.000UO2+2 - 8.000H+ + 4.000H2O + log_k 92.700 + delta_h -556.320 #kJ/mol + # Enthalpy of formation: -3210.4 #kJ/mol #92GRE/FUG + -analytic -4.76294E+0 0E+0 2.90586E+4 0E+0 0E+0 + +US2(cr) +US2 = 1.000U+4 - 2.000H+ + 2.000HS- + log_k -2.430 + delta_h -103.400 #kJ/mol + # Enthalpy of formation: -520.4 #kJ/mol #92GRE/FUG + -analytic -2.05449E+1 0E+0 5.40095E+3 0E+0 0E+0 + +USe2(beta) +USe2 = 1.000U+4 - 2.000H+ + 2.000HSe- + log_k 2.820 + delta_h -135.600 #kJ/mol + # Enthalpy of formation: -427 #kJ/mol #92GRE/FUG + -analytic -2.09361E+1 0E+0 7.08287E+3 0E+0 0E+0 + +Uraninite +UO2 = 1.000U+4 - 4.000H+ + 2.000H2O + log_k -4.850 + delta_h -77.860 #kJ/mol + # Enthalpy of formation: -1085 #kJ/mol #92GRE/FUG + -analytic -1.84905E+1 0E+0 4.06691E+3 0E+0 0E+0 + +Uranophane +Ca(UO2)2(SiO3OH)2:5H2O = 1.000Ca+2 + 2.000UO2+2 - 6.000H+ + 2.000H4(SiO4) + 5.000H2O + log_k 9.420 #92NGU/SIL + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic 9.42E+0 0E+0 0E+0 0E+0 0E+0 + +Vaesite +NiS2 = 1.000Ni+2 + 2.000HS- - 1.000H2O + 0.500O2 + log_k -60.960 + delta_h 320.151 #kJ/mol + # Enthalpy of formation: -128 #kJ/mol #05GAM/BUG + -analytic -4.87203E+0 0E+0 -1.67226E+4 0E+0 0E+0 + +Valentinite +Sb2O3 = 2.000Sb(OH)3 - 3.000H2O + log_k -8.480 #52GAY/GAY in 76BAE/MES + delta_h 18.500 #kJ/mol + # Enthalpy of formation: -708.77 #kJ/mol #62MAH in 03ZOT/SHI + -analytic -5.23894E+0 0E+0 -9.66321E+2 0E+0 0E+0 + +Vaterite +CaCO3 = 1.000Ca+2 + 1.000CO3-2 + log_k -7.900 + delta_h -14.930 #kJ/mol + # Enthalpy of formation: -1203.3 #kJ/mol #87GAR/PAR + -analytic -1.05156E+1 0E+0 7.79847E+2 0E+0 0E+0 + +Vermiculite-Ca +Ca0.43Mg3Si3.14Al0.86O10(OH)2 = 0.430Ca+2 + 3.000Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O + log_k 41.990 + delta_h -392.788 #kJ/mol + # Enthalpy of formation: -6132.81 #kJ/mol #13BLA/VIE + -analytic -2.68234E+1 0E+0 2.05167E+4 0E+0 0E+0 + +Vermiculite-K +K0.86Mg3.00Si3.14Al0.86O10(OH)2 = 3.000Mg+2 + 0.860K+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O + log_k 37.510 + delta_h -336.599 #kJ/mol + # Enthalpy of formation: -6172.35 #kJ/mol #13BLA/VIE + -analytic -2.14595E+1 0E+0 1.75818E+4 0E+0 0E+0 + +Vermiculite-Mg +Mg0.43Mg3Si3.14Al0.86O10(OH)2 = 3.430Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O + log_k 42.360 + delta_h -391.858 #kJ/mol + # Enthalpy of formation: -6101.06 #kJ/mol #13BLA/VIE + -analytic -2.62905E+1 0E+0 2.04681E+4 0E+0 0E+0 + +Vermiculite-Na +Na0.86Mg3.00Si3.14Al0.86O10(OH)2 = 3.000Mg+2 + 0.860Na+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O + log_k 38.960 + delta_h -359.571 #kJ/mol + # Enthalpy of formation: -6139.23 #kJ/mol #13BLA/VIE + -analytic -2.4034E+1 0E+0 1.87817E+4 0E+0 0E+0 + +Vermiculite_SO +(Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 = 0.445Ca+2 + 2.475Mg+2 + 0.226Fe+3 + 1.438Al+3 + 2.778H4(SiO4) + 0.028Fe+2 + 0.888H2O - 10.888H+ + log_k 45.910 + delta_h -463.877 #kJ/mol + # Enthalpy of formation: -6034.41 #kJ/mol #13GAI/BLA + -analytic -3.53576E+1 0E+0 2.42299E+4 0E+0 0E+0 + +Vivianite +Fe3(PO4)2:8H2O = 3.000Fe+2 - 4.000H+ + 2.000H2(PO4)- + 8.000H2O + log_k 3.120 + delta_h -9.561 #kJ/mol + # Enthalpy of formation: -5152.279 #kJ/mol + -analytic 1.44499E+0 0E+0 4.99405E+2 0E+0 0E+0 + +Wairakite +CaAl2Si4O12:2H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) - 2.000H2O + log_k 14.440 + delta_h -246.216 #kJ/mol + # Enthalpy of formation: -6646.7 #kJ/mol #96KIS/NAV + -analytic -2.86951E+1 0E+0 1.28607E+4 0E+0 0E+0 + +Witherite +Ba(CO3) = 1.000Ba+2 + 1.000CO3-2 + log_k -8.560 #86BUS/PLU + delta_h 2.941 #kJ/mol #86BUS/PLU + # Enthalpy of formation: -1212.971 #kJ/mol + -analytic -8.04476E+0 0E+0 -1.53619E+2 0E+0 0E+0 + +Xonotlite +Ca6Si6O17(OH)2 = 6.000Ca+2 - 12.000H+ + 6.000H4(SiO4) - 5.000H2O + log_k 91.340 #10BLA/BOU + delta_h -573.864 #kJ/mol + # Enthalpy of formation: -10022.15 #kJ/mol #56NEW + -analytic -9.19651E+0 0E+0 2.9975E+4 0E+0 0E+0 + +Zeolite_CaP +Ca2Al4Si4O16:9H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 4.000H4(SiO4) + 9.000H2O + log_k 45.150 #09BLA + delta_h -527.736 #kJ/mol + # Enthalpy of formation: -11129.11 #kJ/mol #09BLA + -analytic -4.73052E+1 0E+0 2.75655E+4 0E+0 0E+0 + +Zn(SeO4):6H2O(s) +Zn(SeO4):6H2O = 1.000Zn+2 + 1.000SeO4-2 + 6.000H2O + log_k -1.538 #05OLI/NOL + delta_h -13.330 #kJ/mol + # Enthalpy of formation: -2458.54 #kJ/mol #05OLI/NOL + -analytic -3.87331E+0 0E+0 6.96273E+2 0E+0 0E+0 + +Zn3(AsO4)2(s) +Zn3(AsO4)2 = 3.000Zn+2 + 2.000AsO4-3 + log_k -27.450 + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -2.745E+1 0E+0 0E+0 0E+0 0E+0 + +ZnB2O4(s) +ZnB2O4 = 1.000Zn+2 + 2.000B(OH)4- - 4.000H2O + log_k -10.190 #91BAL/NOR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -1.019E+1 0E+0 0E+0 0E+0 0E+0 + +Zr(HPO4)2(alfa) +Zr(HPO4)2 = - 2.000H+ + 2.000H2(PO4)- + 1.000Zr+4 + log_k -32.270 + delta_h -47.500 #kJ/mol + # Enthalpy of formation: -3166.2 #kJ/mol #05BRO/CUR + -analytic -4.05916E+1 0E+0 2.48109E+3 0E+0 0E+0 + +Zr(HPO4)2:H2O(cr) +Zr(HPO4)2:H2O = - 2.000H+ + 2.000H2(PO4)- + 1.000Zr+4 + 1.000H2O + log_k -27.080 #05BRO/CUR + delta_h -33.430 #kJ/mol + # Enthalpy of formation: -3466.1 #kJ/mol #05BRO/CUR + -analytic -3.29367E+1 0E+0 1.74617E+3 0E+0 0E+0 + +Zr(OH)4(am,aged) +Zr(OH)4 = - 4.000H+ + 1.000Zr+4 + 4.000H2O + log_k -5.550 #Recalculated from 04EKB/KAL in 05BRO/CUR + # delta_h 0.000 #kJ/mol + # Enthalpy of formation: #kJ/mol + -analytic -5.55E+0 0E+0 0E+0 0E+0 0E+0 + +Zr(OH)4(am,fresh) +Zr(OH)4 = - 4.000H+ + 1.000Zr+4 + 4.000H2O + log_k -3.240 #05BRO/CUR + delta_h -89.620 #kJ/mol + # Enthalpy of formation: -1662.2 #kJ/mol #05BRO/CUR + -analytic -1.89407E+1 0E+0 4.68117E+3 0E+0 0E+0 + +Zr(SO4)2(cr) +Zr(SO4)2 = 2.000SO4-2 + 1.000Zr+4 + log_k 1.240 + delta_h -181.980 #kJ/mol + # Enthalpy of formation: -2245.2 #kJ/mol #05BRO/CUR + -analytic -3.06415E+1 0E+0 9.50546E+3 0E+0 0E+0 + +Zr(SO4)2:4H2O(s) +Zr(SO4)2:4H2O = 2.000SO4-2 + 1.000Zr+4 + 4.000H2O + log_k -7.650 + delta_h -99.600 #kJ/mol + # Enthalpy of formation: -3470.9 #kJ/mol #05BRO/CUR + -analytic -2.50991E+1 0E+0 5.20246E+3 0E+0 0E+0 + +Zr(cr) +Zr = 1.000Zr+4 + 2.000H2O - 4.000H+ - 1.000O2 + log_k 178.570 + delta_h -1168.026 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #05BRO/CUR + -analytic -2.60591E+1 0E+0 6.10102E+4 0E+0 0E+0 + +ZrBr4(cr) +ZrBr4 = 4.000Br- + 1.000Zr+4 + log_k 38.520 + delta_h -334.640 #kJ/mol + # Enthalpy of formation: -759.5 #kJ/mol #05BRO/CUR + -analytic -2.01063E+1 0E+0 1.74794E+4 0E+0 0E+0 + +ZrCl(s) +ZrCl = 1.000Cl- + 1.000Zr+4 + 1.500H2O - 3.000H+ - 0.750O2 + log_k 133.725 + delta_h -904.025 #kJ/mol + # Enthalpy of formation: -291.2 #kJ/mol #05BRO/CUR + -analytic -2.46531E+1 0E+0 4.72204E+4 0E+0 0E+0 + +ZrCl2(s) +ZrCl2 = 2.000Cl- + 1.000Zr+4 + 1.000H2O - 2.000H+ - 0.500O2 + log_k 94.640 + delta_h -679.623 #kJ/mol + # Enthalpy of formation: -542.8 #kJ/mol #05BRO/CUR + -analytic -2.44247E+1 0E+0 3.54991E+4 0E+0 0E+0 + +ZrCl3(s) +ZrCl3 = 3.000Cl- + 1.000Zr+4 + 0.500H2O - 1.000H+ - 0.250O2 + log_k 62.215 + delta_h -489.522 #kJ/mol + # Enthalpy of formation: -760.1 #kJ/mol #05BRO/CUR + -analytic -2.35454E+1 0E+0 2.55695E+4 0E+0 0E+0 + +ZrCl4(s) +ZrCl4 = 4.000Cl- + 1.000Zr+4 + log_k 28.600 + delta_h -296.020 #kJ/mol + # Enthalpy of formation: -980.8 #kJ/mol #05BRO/CUR + -analytic -2.32604E+1 0E+0 1.54622E+4 0E+0 0E+0 + +ZrF2(s) +ZrF2 = 2.000F- + 1.000Zr+4 + 1.000H2O - 2.000H+ - 0.500O2 + log_k 75.600 + delta_h -602.963 #kJ/mol + # Enthalpy of formation: -956 #kJ/mol #97VIS/COR + -analytic -3.00344E+1 0E+0 3.14949E+4 0E+0 0E+0 + +ZrF3(s) +ZrF3 = 3.000F- + 1.000Zr+4 + 0.500H2O - 1.000H+ - 0.250O2 + log_k 24.295 + delta_h -321.432 #kJ/mol + # Enthalpy of formation: -1433 #kJ/mol #97VIS/COR + -analytic -3.20173E+1 0E+0 1.67895E+4 0E+0 0E+0 + +ZrF4(beta) +ZrF4 = 4.000F- + 1.000Zr+4 + log_k -27.250 + delta_h -38.600 #kJ/mol + # Enthalpy of formation: -1911.3 #kJ/mol #05BRO/CUR + -analytic -3.40124E+1 0E+0 2.01622E+3 0E+0 0E+0 + +ZrI4(cr) +ZrI4 = 4.000I- + 1.000Zr+4 + log_k 44.590 + delta_h -346.720 #kJ/mol + # Enthalpy of formation: -488.9 #kJ/mol #05BRO/CUR + -analytic -1.61526E+1 0E+0 1.81104E+4 0E+0 0E+0 + +ZrO2(cr) +ZrO2 = - 4.000H+ + 1.000Zr+4 + 2.000H2O + log_k -7.000 + delta_h -79.560 #kJ/mol + # Enthalpy of formation: -1100.6 #kJ/mol #05BRO/CUR + -analytic -2.09383E+1 0E+0 4.1557E+3 0E+0 0E+0 + +ZrSiO4(s) +ZrSiO4 = - 4.000H+ + 1.000H4(SiO4) + 1.000Zr+4 + log_k -14.360 + delta_h -35.494 #kJ/mol + # Enthalpy of formation: -2034.2 #kJ/mol #05BRO/CUR + -analytic -2.05783E+1 0E+0 1.85398E+3 0E+0 0E+0 + +illite-FeIII +K0.85Fe0.25Al2.6Si3.15O10(OH)2 = 0.850K+ + 0.250Fe+3 + 2.600Al+3 - 9.400H+ + 3.150H4(SiO4) - 0.600H2O + log_k 11.510 + delta_h -256.622 #kJ/mol + # Enthalpy of formation: -5801.05 #kJ/mol #13BLA/VIE + -analytic -3.34482E+1 0E+0 1.34043E+4 0E+0 0E+0 + + # PMATCH GASES -H2(g) -H2 = +2.000H+ +2.000e- - log_k 0 # - delta_h 0 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 89COX/WAG - - -HCl(g) -HCl = +1.000H+ +1.000Cl- - log_k 6.29 # - delta_h -74.77 kJ/mol # - # Enthalpy of formation: -92.31 kJ/mol 89COX/WAG - - -H2O(g) -H2O = +2.000H+ +2.000e- +0.500O2 - log_k -41.49 # - delta_h 235.759 kJ/mol # - # Enthalpy of formation: -241.826 kJ/mol 89COX/WAG - +CH4(g) +CH4 = 2.000H+ + 1.000CO3-2 + 1.000H2O - 2.000O2 + log_k 130.910 + delta_h -861.919 #kJ/mol + # Enthalpy of formation: -74.873 #kJ/mol #98CHA + -analytic -2.00915E+1 0E+0 4.50211E+4 0E+0 0E+0 CO(g) -CO = +4.000H+ +2.000e- +1.000CO3-2 -2.000H2O - log_k -14.64 # - delta_h 6.96 kJ/mol # - # Enthalpy of formation: -110.53 kJ/mol 89COX/WAG - - -CH4(g) -CH4 = +10.000H+ +8.000e- +1.000CO3-2 -3.000H2O - log_k -41.05 # - delta_h 257.133 kJ/mol # - # Enthalpy of formation: -74.873 kJ/mol 98CHA - - -SO2(g) -SO2 = +4.000H+ +2.000e- +1.000SO4-2 -2.000H2O - log_k -5.32 # - delta_h -40.87 kJ/mol # - # Enthalpy of formation: -296.81 kJ/mol 89COX/WAG - - -Cl2(g) -Cl2 = -2.000e- +2.000Cl- - log_k 45.98 # - delta_h -334.16 kJ/mol # - # Enthalpy of formation: 0 kJ/mol 89COX/WAG - +CO = 2.000H+ + 1.000CO3-2 - 1.000H2O - 0.500O2 + log_k 28.350 + delta_h -272.803 #kJ/mol + # Enthalpy of formation: -110.53 #kJ/mol #89COX/WAG + -analytic -1.9443E+1 0E+0 1.42495E+4 0E+0 0E+0 CO2(g) -CO2 = +2.000H+ +1.000CO3-2 -1.000H2O - log_k -18.15 # - delta_h 4.11 kJ/mol # - # Enthalpy of formation: -393.51 kJ/mol 89COX/WAG +CO2 = 2.000H+ + 1.000CO3-2 - 1.000H2O + log_k -18.150 + delta_h 4.110 #kJ/mol + # Enthalpy of formation: -393.51 #kJ/mol #89COX/WAG + -analytic -1.743E+1 0E+0 -2.1468E+2 0E+0 0E+0 +Cl2(g) +Cl2 = 2.000Cl- - 1.000H2O + 2.000H+ + 0.500O2 + log_k 2.990 + delta_h -54.397 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #89COX/WAG + -analytic -6.53993E+0 0E+0 2.84135E+3 0E+0 0E+0 + +H2(g) +H2 = 1.000H2O - 0.500O2 + log_k 42.990 + delta_h -279.763 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol #89COX/WAG + -analytic -6.0223E+0 0E+0 1.4613E+4 0E+0 0E+0 + +H2O(g) +H2O = 1.000H2O + log_k 1.500 + delta_h -44.004 #kJ/mol + # Enthalpy of formation: -241.826 #kJ/mol #89COX/WAG + -analytic -6.20916E+0 0E+0 2.29849E+3 0E+0 0E+0 H2S(g) -H2S = +1.000H+ +1.000HS- - log_k -8 # - delta_h 4.3 kJ/mol # - # Enthalpy of formation: -20.6 kJ/mol 89COX/WAG +H2S = 1.000H+ + 1.000HS- + log_k -8.000 + delta_h 4.300 #kJ/mol + # Enthalpy of formation: -20.6 #kJ/mol #89COX/WAG + -analytic -7.24667E+0 0E+0 -2.24604E+2 0E+0 0E+0 +HCl(g) +HCl = 1.000H+ + 1.000Cl- + log_k 6.290 + delta_h -74.770 #kJ/mol + # Enthalpy of formation: -92.31 #kJ/mol #89COX/WAG + -analytic -6.80912E+0 0E+0 3.9055E+3 0E+0 0E+0 O2(g) -O2 = +1.000O2 - log_k -2.9 # - delta_h -12.134 kJ/mol # - # Enthalpy of formation: 0 kJ/mol +O2 = 1.000O2 + log_k -2.900 + delta_h -12.134 #kJ/mol + # Enthalpy of formation: 0 #kJ/mol + -analytic -5.02578E+0 0E+0 6.33802E+2 0E+0 0E+0 +SO2(g) +SO2 = 2.000H+ + 1.000SO3-2 - 1.000H2O + log_k -8.940 + delta_h -48.420 #kJ/mol + # Enthalpy of formation: -296.81 #kJ/mol #89COX/WAG + -analytic -1.74228E+1 0E+0 2.52915E+3 0E+0 0E+0