# # Update note: ThermoChimie v.7.d June 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 # # --------------------------------------------------------------- # 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; # # - 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 # # 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 SOLUTION_MASTER_SPECIES #element species alk gfw_formula element_gfw 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 B B(OH)4- 0 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 0 Cr 51.9961 Cr(+6) CrO4-2 0 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 0 Hf 178.49 Hg Hg+2 0 Hg 200.59 Hg(+2) Hg+2 0 Hg 200.59 Hg(+1) 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 0 Pd 106.42 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 0 Sn 118.71 Sn(+2) Sn+2 0 Sn 118.71 Sn(+4) Sn+4 0 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 0 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 0 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 SOLUTION_SPECIES +1.000Co+2 = Co+2 log_k 0 # #delta_h kJ/mol # # Enthalpy of formation: -57.6 kJ/mol 98PLY/ZHA +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 +1.000Mg+2 = Mg+2 log_k 0 # #delta_h kJ/mol # # Enthalpy of formation: -467 kJ/mol 89COX/WAG +1.000Eu+3 = Eu+3 log_k 0 # #delta_h kJ/mol # # Enthalpy of formation: -605.331 kJ/mol +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 +1.000Sm+3 = Sm+3 log_k 0 # #delta_h kJ/mol # # Enthalpy of formation: -691.199 kJ/mol +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 +1.000H4(SiO4) = H4(SiO4) log_k 0 # #delta_h kJ/mol # # Enthalpy of formation: -1461.194 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 +1.000Am+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 +1.000Cn- = 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 +1.000H2(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 +1.000HIsa- = 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 +1.000B(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 +1.000SeO4-2 = 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 +1.000Cm+3 = Cm+3 log_k 0 # #delta_h kJ/mol # # Enthalpy of formation: -615 kJ/mol 01KON +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 +1.000Sn+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 +1.000Pb+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 +1.000Fe+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 -4.37 #68CHU/MAR delta_h 17.565 kJ/mol # # Enthalpy of formation: -1828.035 kJ/mol +1.000Ca+2 -2.000H+ +1.000H2(PO4)- = Ca(PO4)- log_k -13.11 #68CHU/MAR delta_h 38.532 kJ/mol # # Enthalpy of formation: -1807.068 kJ/mol +1.000Ca+2 +1.000H2(PO4)- = Ca(H2PO4)+ log_k 1.5 #68CHU/MAR delta_h 7.777 kJ/mol # # Enthalpy of formation: -1837.823 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 +1.000Cl- = 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 +1.000Co+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 +1.000NpO2+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 +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 +1.000Fe+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 -3.5 #06GAO/MON #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 -11.4 #06GAO/MON #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 -13.2 #06GAO/MON #delta_h kJ/mol # # Enthalpy of formation: kJ/mol +1.000Th+4 -5.000H+ +1.000HGlu- +4.000H2O = Th(OH)4(Glu)-2 log_k -22.4 #06GAO/MON #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 +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 +1.000Nta-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 +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 +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 +1.000Sn+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 +1.000Sm+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 +1.000H4(SiO4) -1.000H+ +1.000PuO2+2 = PuO2(OSi(OH)3)+ log_k -3.64 #03YUS/FED #delta_h kJ/mol # # Enthalpy of formation: 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 +1.000Pd+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 -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 +1.000H+ +1.000H2(PO4)- = H3(PO4) log_k 2.14 #92GRE/FUG delta_h 8.48 kJ/mol # # 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+ +1.000Hf+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+ +1.000SO3-2 = 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 +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 +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 +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 +2.000H2O -4.000e- -4.000H+ = 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+ +1.000Sb(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 -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 kJ/mol # # Enthalpy of formation: 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 +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 +1.000Sn+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)- = UO2H5(PO4)2+ 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+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 +1.000Np+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 +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 +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 +1.000Th+4 +8.000H2O -8.000H+ +4.000Ca+2 = Ca4Th(OH)8+4 log_k -63.1 #08ALT/NEC #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 +2.000H2(PO4)- +1.000H+ = 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 +1.000H2(PO4)- +1.000H+ = Th(H3PO4)+4 log_k 4.03 #09RAN/FUG #delta_h kJ/mol # # Enthalpy of formation: kJ/mol +2.000Th+4 +3.000H2O -3.000H+ = Th2(OH)3+5 log_k -6.8 #09RAN/FUG #delta_h kJ/mol # # Enthalpy of formation: kJ/mol +6.000Th+4 +14.000H2O -14.000H+ = Th6(OH)14+10 log_k -36.8 #09RAN/FUG #delta_h kJ/mol # # Enthalpy of formation: kJ/mol 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 #07BLA/BOU delta_h -379.83 kJ/mol # # Enthalpy of formation: -17544.53 kJ/mol 07BLA/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 -1189.08 kJ/mol # # Enthalpy of formation: -15987.8 kJ/mol Jennite Ca9Si6O16(OH)10:6(H2O) = +9.000Ca+2 -18.000H+ +6.000H4(SiO4) +8.000H2O log_k 147.33 #07BLA/BOU delta_h -751.765 kJ/mol # # Enthalpy of formation: -15189.04 kJ/mol 07BLA/BOU Afwillite Ca3Si2O4(OH)6 = +3.000Ca+2 -6.000H+ +2.000H4(SiO4) +2.000H2O log_k 49.42 #07BLA/BOU delta_h -269.228 kJ/mol # # Enthalpy of formation: -4853.82 kJ/mol 07BLA/BOU C4AH13 Ca4Al2(OH)14:6H2O = +4.000Ca+2 +2.000Al+3 -14.000H+ +20.000H2O log_k 103.65 #07BLA/BOU delta_h -647.4 kJ/mol # # Enthalpy of formation: -8318 kJ/mol 76HOU/STE C3ASH4 Ca3Al2(SiO4)(OH)8 = +3.000Ca+2 +2.000Al+3 -12.000H+ +1.000H4(SiO4) +8.000H2O log_k 71.16 #07BLA/BOU delta_h -545.767 kJ/mol # # Enthalpy of formation: -5907.867 kJ/mol Stratlingite Ca2Al2SiO3(OH)8:4H2O = +2.000Ca+2 +2.000Al+3 -10.000H+ +1.000H4(SiO4) +11.000H2O log_k 49.66 #07BLA/BOU delta_h -397.95 kJ/mol # # Enthalpy of formation: -6370.175 kJ/mol Hillebrandite Ca2SiO3(OH)2:0.17H2O = +2.000Ca+2 -4.000H+ +1.000H4(SiO4) +1.170H2O log_k 36.85 #07BLA/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 #07BLA/BOU delta_h -380.238 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 #07BLA/BOU delta_h -573.865 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 #07BLA/BOU delta_h -122.848 kJ/mol # # Enthalpy of formation: -4917.99 kJ/mol 07BLA/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 07BLA/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 00ARN/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 72.73 #07BLA/BOU delta_h -522.63 kJ/mol # # Enthalpy of formation: -8780.45 kJ/mol 82WAG/EVA Monocarboaluminate (CaO)3Al2O3:CaCO3:10.68H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +1.000CO3-2 +16.680H2O log_k 70.3 #94DAM/GLA delta_h -515.924 kJ/mol # # Enthalpy of formation: -8175.75 kJ/mol 07BLA/BOU Friedel-salt Ca4Al2(OH)12Cl2:4H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +2.000Cl- +16.000H2O log_k 74.93 #07BLA/BOU delta_h -486.2 kJ/mol # # Enthalpy of formation: -7670.04 kJ/mol 76HOU/STE Hydrogarnet Ca3Al2(OH)12 = +3.000Ca+2 +2.000Al+3 -12.000H+ +12.000H2O log_k 80.32 #07BLA/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 13.67 # delta_h -214.638 kJ/mol # # Enthalpy of formation: -7821.599 kJ/mol 07VIE Gismondine Ca2Al4Si4O16:9H2O = +2.000Ca+2 +4.000Al+3 -16.000H+ +4.000H4(SiO4) +9.000H2O log_k 37.44 # delta_h -477.477 kJ/mol # # Enthalpy of formation: -11179.37 kJ/mol 07VIE C4FH13 Ca4Fe2(OH)14:6H2O = +4.000Ca+2 +2.000Fe+3 -14.000H+ +20.000H2O log_k 93.71 # delta_h -568.99 kJ/mol # # Enthalpy of formation: -7417.61 kJ/mol 07BLA/BOU C3FH6 Ca3Fe2(OH)12 = +3.000Ca+2 +2.000Fe+3 -12.000H+ +12.000H2O log_k 70.38 # delta_h -505.85 kJ/mol # # Enthalpy of formation: -4651.11 kJ/mol 07BLA/BOU Ettringite-Fe Ca6Fe2(SO4)3(OH)12:26H2O = +6.000Ca+2 +2.000Fe+3 -12.000H+ +3.000SO4-2 +38.000H2O log_k 54.53 #07BLA/BOU delta_h -344.219 kJ/mol # # Enthalpy of formation: -16601.341 kJ/mol Monosulfate-Fe Ca4Fe2(SO4)(OH)12:6H2O = +4.000Ca+2 +2.000Fe+3 -12.000H+ +1.000SO4-2 +18.000H2O log_k 65.6 #07BLA/BOU delta_h -460.253 kJ/mol # # Enthalpy of formation: -7864.027 kJ/mol Tobermorite-14A Ca5Si6O16.5(OH):10H2O = +5.000Ca+2 -10.000H+ +6.000H4(SiO4) +3.500H2O log_k 62.94 #07BLA/BOU delta_h -307.42 kJ/mol # # Enthalpy of formation: -12175.15 kJ/mol 07BLA/BOU Tobermorite-11A Ca5Si6O16.5(OH):5H2O = +5.000Ca+2 -10.000H+ +6.000H4(SiO4) -1.500H2O log_k 65.58 #07BLA/BOU delta_h -372.5 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 Hydrotalcite Mg4Al2(OH)14:3H2O = +4.000Mg+2 +2.000Al+3 -14.000H+ +17.000H2O log_k 73.74 #91ATK/GLA delta_h -536.41 kJ/mol # # Enthalpy of formation: -7267.5 kJ/mol 06ALL/NAV 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 Chrysotile Mg3Si2O5(OH)4 = +3.000Mg+2 -6.000H+ +2.000H4(SiO4) +1.000H2O log_k 33.17 # delta_h -249.218 kJ/mol # # Enthalpy of formation: -4360 kJ/mol 95ROB/HEM 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 -498.47 kJ/mol # # Enthalpy of formation: -7123.18 kJ/mol 06ALL/NAV Clinochlore Mg5Al2Si3O10(OH)8 = +5.000Mg+2 +2.000Al+3 -16.000H+ +3.000H4(SiO4) +6.000H2O log_k 60.7 # delta_h -593.918 kJ/mol # # Enthalpy of formation: -8916.445 kJ/mol 07VIE Amesite Mg4Al4Si2O10(OH)8 = +4.000Mg+2 +4.000Al+3 -20.000H+ +2.000H4(SiO4) +10.000H2O log_k 63.59 # delta_h -738.751 kJ/mol # # Enthalpy of formation: -9063.537 kJ/mol 07VIE Sudoite Mg2Al4Si3O10(OH)8 = +2.000Mg+2 +4.000Al+3 -16.000H+ +3.000H4(SiO4) +6.000H2O log_k 37.24 # delta_h -530.404 kJ/mol # # Enthalpy of formation: -8655.759 kJ/mol 07VIE Truscottite Ca7Si12O29(OH)4:H2O = +7.000Ca+2 -14.000H+ +12.000H4(SiO4) -14.000H2O log_k 77.08 # delta_h -479.091 kJ/mol # # Enthalpy of formation: -16854.62 kJ/mol 07BLA/BOU C2SH(alfa) 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 07BLA/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 07BLA/BOU Mg-Montmorillonite-Ca Ca0.17Mg0.33Al1.68Si3.99O10(OH)2 = +0.170Ca+2 +0.330Mg+2 +1.680Al+3 -6.040H+ +3.990H4(SiO4) -3.960H2O log_k 5.07 # delta_h -160.38 kJ/mol # # Enthalpy of formation: -5688.83 kJ/mol 07VIE Mg-Montmorillonite-Mg Mg0.17Mg0.33Al1.68Si3.99O10(OH)2 = +0.500Mg+2 +1.680Al+3 -6.040H+ +3.990H4(SiO4) -3.960H2O log_k 4.48 # delta_h -160.97 kJ/mol # # Enthalpy of formation: -5675.32 kJ/mol 07VIE Beidellite-Ca Ca0.17Al2.34Si3.66O10(OH)2 = +0.170Ca+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O log_k 4.42 # delta_h -200.226 kJ/mol # # Enthalpy of formation: -5745.32 kJ/mol 07VIE Beidellite-Mg Mg0.17Al2.34Si3.66O10(OH)2 = +0.170Mg+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O log_k -0.17 # delta_h -200.166 kJ/mol # # Enthalpy of formation: -5732.46 kJ/mol 07VIE Fe-Montmorillonite-Ca Ca0.17Mg0.33Fe0.67Al1.01Si3.99O10(OH)2 = +0.170Ca+2 +0.330Mg+2 +0.670Fe+3 +1.010Al+3 -6.040H+ +3.990H4(SiO4) -3.960H2O log_k 3.69 # delta_h -149.802 kJ/mol # # Enthalpy of formation: -5371.51 kJ/mol 07VIE Fe-Montmorillonite-Mg Mg0.17Mg0.33Fe0.67Al1.01Si3.99O10(OH)2 = +0.500Mg+2 +0.670Fe+3 +1.010Al+3 -6.040H+ +3.990H4(SiO4) -3.960H2O log_k 3.01 # delta_h -149.892 kJ/mol # # Enthalpy of formation: -5358.5 kJ/mol 07VIE Beidellite-FeCa Ca0.17Fe0.66Al1.68Si3.66O10(OH)2 = +0.170Ca+2 +0.660Fe+3 +1.680Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O log_k 3.09 # delta_h -190.202 kJ/mol # # Enthalpy of formation: -5432.34 kJ/mol 07VIE Beidellite-FeMg Mg0.17Fe0.66Al1.68Si3.66O10(OH)2 = +0.170Mg+2 +0.660Fe+3 +1.680Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O log_k 2.39 # delta_h -190.142 kJ/mol # # Enthalpy of formation: -5419.48 kJ/mol 07VIE Fe-Saponite-Ca Ca0.17Fe3Al0.34Si3.66O10(OH)2 = +0.170Ca+2 +3.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O log_k 22.43 # delta_h -222.166 kJ/mol # # Enthalpy of formation: -4916.58 kJ/mol 07VIE Fe-Saponite-Mg Mg0.17Fe3Al0.34Si3.66O10(OH)2 = +0.170Mg+2 +3.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O log_k 21.73 # delta_h -222.096 kJ/mol # # Enthalpy of formation: -4903.73 kJ/mol 07VIE 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 30.23 # delta_h -273.696 kJ/mol # # Enthalpy of formation: -5996.05 kJ/mol 07VIE Saponite-Mg Mg3.17Al0.34Si3.66O10(OH)2 = +3.170Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O log_k 29.53 # delta_h -273.636 kJ/mol # # Enthalpy of formation: -5983.19 kJ/mol 07VIE 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 40.68 # delta_h -378.219 kJ/mol # # Enthalpy of formation: -6147.38 kJ/mol 07VIE Vermiculite-Mg Mg0.43Mg3Si3.14Al0.86O10(OH)2 = +3.430Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) -0.560H2O log_k 38.8 # delta_h -377.469 kJ/mol # # Enthalpy of formation: -6115.45 kJ/mol 07VIE Beidellite-Ca(hydrated) Ca0.17Al2.34Si3.66O10(OH)2:5H2O = +0.170Ca+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) +2.360H2O log_k 6.95 # delta_h -198.947 kJ/mol # # Enthalpy of formation: -7175.749 kJ/mol Beidellite-Mg(hydrated) Mg0.17Al2.34Si3.66O10(OH)2:5H2O = +0.170Mg+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) +2.360H2O log_k 6.38 # delta_h -199.611 kJ/mol # # Enthalpy of formation: -7162.165 kJ/mol Mg-Montmorillonite-Ca(hydrated) Ca0.17Mg0.33Al1.68Si3.99O10(OH)2:5H2O = +0.170Ca+2 +0.330Mg+2 +1.680Al+3 -6.040H+ +3.990H4(SiO4) +1.040H2O log_k 6.59 # delta_h -153.339 kJ/mol # # Enthalpy of formation: -7125.022 kJ/mol Mg-Montmorillonite-Mg(hydrated) Mg0.17Mg0.33Al1.68Si3.99O10(OH)2:5H2O = +0.500Mg+2 +1.680Al+3 -6.040H+ +3.990H4(SiO4) +1.040H2O log_k 6.04 # delta_h -154.162 kJ/mol # # Enthalpy of formation: -7111.278 kJ/mol Fe-Montmorillonite-Ca(hydrated) Ca0.17Mg0.33Fe0.67Al1.01Si3.99O10(OH)2:5H2O = +0.170Ca+2 +0.330Mg+2 +0.670Fe+3 +1.010Al+3 -6.040H+ +3.990H4(SiO4) +1.040H2O log_k 0.73 # delta_h -117.207 kJ/mol # # Enthalpy of formation: -6833.255 kJ/mol Fe-Montmorillonite-Mg(hydrated) Mg0.17Mg0.33Fe0.67Al1.01Si3.99O10(OH)2:5H2O = +0.500Mg+2 +0.670Fe+3 +1.010Al+3 -6.040H+ +3.990H4(SiO4) +1.040H2O log_k 0.18 # delta_h -118.031 kJ/mol # # Enthalpy of formation: -6819.512 kJ/mol Beidellite-FeCa(hydrated) Ca0.17Fe0.66Al1.68Si3.66O10(OH)2:5H2O = +0.170Ca+2 +0.660Fe+3 +1.680Al+3 -7.360H+ +3.660H4(SiO4) +2.360H2O log_k 1.17 # delta_h -163.546 kJ/mol # # Enthalpy of formation: -6888.146 kJ/mol Beidellite-FeMg(hydrated) Mg0.17Fe0.66Al1.68Si3.66O10(OH)2:5H2O = +0.170Mg+2 +0.660Fe+3 +1.680Al+3 -7.360H+ +3.660H4(SiO4) +2.360H2O log_k 0.59 # delta_h -164.2 kJ/mol # # Enthalpy of formation: -6874.572 kJ/mol Fe-Saponite-Ca(hydrated) Ca0.17Fe3Al0.34Si3.66O10(OH)2:5H2O = +0.170Ca+2 +3.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +2.360H2O log_k 18.4 # delta_h -183.462 kJ/mol # # Enthalpy of formation: -6384.434 kJ/mol Fe-Saponite-Mg(hydrated) Mg0.17Fe3Al0.34Si3.66O10(OH)2:5H2O = +0.170Mg+2 +3.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +2.360H2O log_k 17.93 # delta_h -184.715 kJ/mol # # Enthalpy of formation: -6370.26 kJ/mol Saponite-Ca(hydrated) Ca0.17Mg3Al0.34Si3.66O10(OH)2:5H2O = +0.170Ca+2 +3.000Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +2.360H2O log_k 34.38 # delta_h -281.705 kJ/mol # # Enthalpy of formation: -7417.19 kJ/mol Saponite-Mg(hydrated) Mg3.17Al0.34Si3.66O10(OH)2:5H2O = +3.170Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +2.360H2O log_k 33.81 # delta_h -282.359 kJ/mol # # Enthalpy of formation: -7403.617 kJ/mol Vermiculite-Ca(hydrated) Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:5H2O = +0.430Ca+2 +3.000Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) +4.440H2O log_k 43.18 # delta_h -376.798 kJ/mol # # Enthalpy of formation: -7577.951 kJ/mol Vermiculite-Mg(hydrated) Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:5H2O = +3.430Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) +4.440H2O log_k 41.61 # delta_h -377.827 kJ/mol # # Enthalpy of formation: -7544.242 kJ/mol CSH1.6 Ca1.6SiO3.6:2.58H2O = +1.600Ca+2 -3.200H+ +1.000H4(SiO4) +2.180H2O log_k 28 #07BLA/BOU delta_h -133.314 kJ/mol # # Enthalpy of formation: -2819.79 kJ/mol 07BLA/BOU CSH1.2 Ca1.2SiO3.2:2.06H2O = +1.200Ca+2 -2.400H+ +1.000H4(SiO4) +1.260H2O log_k 19.3 #07BLA/BOU delta_h -88.6 kJ/mol # # Enthalpy of formation: -2384.34 kJ/mol 07BLA/BOU CSH0.8 Ca0.8SiO2.8:1.54H2O = +0.800Ca+2 -1.600H+ +1.000H4(SiO4) +0.340H2O log_k 11.05 #07BLA/BOU delta_h -47.646 kJ/mol # # Enthalpy of formation: -1945.13 kJ/mol 07BLA/BOU MX80(hyd1) (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 7.09 # delta_h -194.364 kJ/mol # # Enthalpy of formation: -7248.81 kJ/mol 07GAI/BLA MX80(hyd2) (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 6.8 # delta_h -199.17 kJ/mol # # Enthalpy of formation: -6884.43 kJ/mol 07GAI/BLA Chlorite-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 61.23 # delta_h -632.836 kJ/mol # # Enthalpy of formation: -8240.69 kJ/mol 06GAI 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 00ARN/STE Muscovite KAl3Si3O10(OH)2 = +1.000K+ +3.000Al+3 -10.000H+ +3.000H4(SiO4) log_k 14 # delta_h -276.123 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 K0.33Al2.33Si3.67O10(OH)2 = +0.330K+ +2.330Al+3 -7.320H+ +3.670H4(SiO4) -2.680H2O log_k 2.31 # delta_h -179.107 kJ/mol # # Enthalpy of formation: -5755.13 kJ/mol 07VIE Celadonite KMgAlSi4O10(OH)2 = +1.000Mg+2 +1.000K+ +1.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O log_k 9.3 # delta_h -123.57 kJ/mol # # Enthalpy of formation: -5835.427 kJ/mol 07VIE Fe-celadonite KFeAlSi4O10(OH)2 = +1.000K+ +1.000Fe+2 +1.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O log_k 2.73 # delta_h -83.838 kJ/mol # # Enthalpy of formation: -5498.159 kJ/mol 07VIE Mg-Montmorillonite-K K0.33Mg0.33Al1.67Si4O10(OH)2 = +0.330Mg+2 +0.330K+ +1.670Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O log_k 2.83 # delta_h -138.561 kJ/mol # # Enthalpy of formation: -5699.34 kJ/mol 07VIE Fe-Montmorillonite-K K0.33Mg0.33Fe0.67Al1.0Si4O10(OH)2 = +0.330Mg+2 +0.330K+ +0.670Fe+3 +1.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O log_k 1.39 # delta_h -127.503 kJ/mol # # Enthalpy of formation: -5382.5 kJ/mol 07VIE Beidellite-FeK K0.33Fe0.66Al1.67Si3.67O10(OH)2 = +0.330K+ +0.660Fe+3 +1.670Al+3 -7.320H+ +3.670H4(SiO4) -2.680H2O log_k 0.98 # delta_h -169.093 kJ/mol # # Enthalpy of formation: -5442.14 kJ/mol 07VIE Fe-Saponite-K K0.33Fe3Al0.33Si3.67O10(OH)2 = +0.330K+ +3.000Fe+2 +0.330Al+3 -7.320H+ +3.670H4(SiO4) -2.680H2O log_k 20.31 # delta_h -201.017 kJ/mol # # Enthalpy of formation: -4926.42 kJ/mol 07VIE Saponite-K K0.33Mg3Al0.33Si3.67O10(OH)2 = +3.000Mg+2 +0.330K+ +0.330Al+3 -7.320H+ +3.670H4(SiO4) -2.680H2O log_k 28.1 # delta_h -252.497 kJ/mol # # Enthalpy of formation: -6005.94 kJ/mol 07VIE 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 10.25 # delta_h -222.133 kJ/mol # # Enthalpy of formation: -5884.908 kJ/mol 07VIE 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 7.86 # delta_h -207.942 kJ/mol # # Enthalpy of formation: -5804.849 kJ/mol 07VIE 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 10.07 # delta_h -252.345 kJ/mol # # Enthalpy of formation: -5805.328 kJ/mol 07VIE Illite-Al K0.85Al2.85Si3.15O10(OH)2 = +0.850K+ +2.850Al+3 -9.400H+ +3.150H4(SiO4) -0.600H2O log_k 10.44 # delta_h -254.658 kJ/mol # # Enthalpy of formation: -5925.364 kJ/mol 07VIE Vermiculite-K K0.85Mg3Si3.15Al0.85O10(OH)2 = +3.000Mg+2 +0.850K+ +0.850Al+3 -9.400H+ +3.150H4(SiO4) -0.600H2O log_k 36.86 # delta_h -331.639 kJ/mol # # Enthalpy of formation: -6172.584 kJ/mol 07VIE Beidellite-K(hydrated) K0.33Al2.33Si3.67O10(OH)2:5H2O = +0.330K+ +2.330Al+3 -7.320H+ +3.670H4(SiO4) +2.320H2O log_k 6.74 # delta_h -188.653 kJ/mol # # Enthalpy of formation: -7174.733 kJ/mol Mg-Montmorillonite-K(hydrated) K0.33Mg0.33Al1.67Si4O10(OH)2:5H2O = +0.330Mg+2 +0.330K+ +1.670Al+3 -6.000H+ +4.000H4(SiO4) +1.000H2O log_k 6.09 # delta_h -141.445 kJ/mol # # Enthalpy of formation: -7125.606 kJ/mol Fe-Montmorillonite-K(hydrated) K0.33Mg0.33Fe0.67Al1.00Si4O10(OH)2:5H2O = +0.330Mg+2 +0.330K+ +0.670Fe+3 +1.000Al+3 -6.000H+ +4.000H4(SiO4) +1.000H2O log_k 0.24 # delta_h -105.197 kJ/mol # # Enthalpy of formation: -6833.956 kJ/mol Beidellite-FeK(hydrated) K0.33Fe0.66Al1.67Si3.67O10(OH)2:5H2O = +0.330K+ +0.660Fe+3 +1.670Al+3 -7.320H+ +3.670H4(SiO4) +2.320H2O log_k 0.85 # delta_h -152.655 kJ/mol # # Enthalpy of formation: -6887.728 kJ/mol Fe-Saponite-K(hydrated) K0.33Fe3Al0.33Si3.67O10(OH)2:5H2O = +0.330K+ +3.000Fe+2 +0.330Al+3 -7.320H+ +3.670H4(SiO4) +2.320H2O log_k 18.07 # delta_h -172.533 kJ/mol # # Enthalpy of formation: -6384.054 kJ/mol Saponite-K(hydrated) K0.33Mg3Al0.33Si3.67O10(OH)2:5H2O = +3.000Mg+2 +0.330K+ +0.330Al+3 -7.320H+ +3.670H4(SiO4) +2.320H2O log_k 34.05 # delta_h -270.741 kJ/mol # # Enthalpy of formation: -7416.846 kJ/mol Vermiculite-K(hydrated) K0.85Mg3.00Si3.15Al0.85O10(OH)2:5H2O = +3.000Mg+2 +0.850K+ +0.850Al+3 -9.400H+ +3.150H4(SiO4) +4.400H2O log_k 43.31 # delta_h -352.755 kJ/mol # # Enthalpy of formation: -7580.618 kJ/mol 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 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 00ARN/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 00ARN/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 Na0.33Al2.33Si3.67O10(OH)2 = +0.330Na+ +2.330Al+3 -7.320H+ +3.670H4(SiO4) -2.680H2O log_k 3.73 # delta_h -188.903 kJ/mol # # Enthalpy of formation: -5741.44 kJ/mol 07VIE 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 = +1.000Pb+2 +3.000Al+3 -9.000H+ +2.000H2(PO4)- +5.000H2O 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 Mg-Montmorillonite-Na Na0.33Mg0.33Al1.67Si4O10(OH)2 = +0.330Mg+2 +0.330Na+ +1.670Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O log_k 4.33 # delta_h -148.827 kJ/mol # # Enthalpy of formation: -5685.18 kJ/mol 07VIE Fe-Montmorillonite-Na Na0.33Mg0.33Fe0.67Al1.0Si4O10(OH)2 = +0.330Mg+2 +0.330Na+ +0.670Fe+3 +1.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O log_k 2.89 # delta_h -137.779 kJ/mol # # Enthalpy of formation: -5368.33 kJ/mol 07VIE Beidellite-FeNa Na0.33Fe0.66Al1.67Si3.67O10(OH)2 = +0.330Na+ +0.660Fe+3 +1.670Al+3 -7.320H+ +3.670H4(SiO4) -2.680H2O log_k 2.4 # delta_h -178.899 kJ/mol # # Enthalpy of formation: -5428.44 kJ/mol 07VIE Fe-Saponite-Na Na0.33Fe3Al0.33Si3.67O10(OH)2 = +0.330Na+ +3.000Fe+2 +0.330Al+3 -7.320H+ +3.670H4(SiO4) -2.680H2O log_k 21.73 # delta_h -210.823 kJ/mol # # Enthalpy of formation: -4912.72 kJ/mol 07VIE Saponite-Na Na0.33Mg3Al0.33Si3.67O10(OH)2 = +3.000Mg+2 +0.330Na+ +0.330Al+3 -7.320H+ +3.670H4(SiO4) -2.680H2O log_k 29.52 # delta_h -262.303 kJ/mol # # Enthalpy of formation: -5992.24 kJ/mol 07VIE Vermiculite-Na Na0.85Mg3Si3.15Al0.85O10(OH)2 = +3.000Mg+2 +0.850Na+ +0.850Al+3 -9.400H+ +3.150H4(SiO4) -0.600H2O log_k 40.17 # delta_h -354.987 kJ/mol # # Enthalpy of formation: -6139.206 kJ/mol 07VIE Beidellite-Na(hydrated) Na0.33Al2.33Si3.67O10(OH)2:5H2O = +0.330Na+ +2.330Al+3 -7.320H+ +3.670H4(SiO4) +2.320H2O log_k 6.88 # delta_h -191.184 kJ/mol # # Enthalpy of formation: -7168.308 kJ/mol Mg-Montmorillonite-Na(hydrated) Na0.33Mg0.33Al1.67Si4O10(OH)2:5H2O = +0.330Mg+2 +0.330Na+ +1.670Al+3 -6.000H+ +4.000H4(SiO4) +1.000H2O log_k 6.4 # delta_h -144.936 kJ/mol # # Enthalpy of formation: -7118.221 kJ/mol Fe-Montmorillonite-Na(hydrated) Na0.33Mg0.33Fe0.67Al1.00Si4O10(OH)2:5H2O = +0.330Mg+2 +0.330Na+ +0.670Fe+3 +1.000Al+3 -6.000H+ +4.000H4(SiO4) +1.000H2O log_k 0.54 # delta_h -108.688 kJ/mol # # Enthalpy of formation: -6826.571 kJ/mol Beidellite-FeNa(hydrated) Na0.33Fe0.66Al1.67Si3.67O10(OH)2:5H2O = +0.330Na+ +0.660Fe+3 +1.670Al+3 -7.320H+ +3.670H4(SiO4) +2.320H2O log_k 1.1 # delta_h -155.786 kJ/mol # # Enthalpy of formation: -6880.703 kJ/mol Fe-Saponite-Na(hydrated) Na0.33Fe3Al0.33Si3.67O10(OH)2:5H2O = +0.330Na+ +3.000Fe+2 +0.330Al+3 -7.320H+ +3.670H4(SiO4) +2.320H2O log_k 18.32 # delta_h -175.662 kJ/mol # # Enthalpy of formation: -6377.031 kJ/mol Saponite-Na(hydrated) Na0.33Mg3Al0.33Si3.67O10(OH)2:5H2O = +3.000Mg+2 +0.330Na+ +0.330Al+3 -7.320H+ +3.670H4(SiO4) +2.320H2O log_k 34.3 # delta_h -273.873 kJ/mol # # Enthalpy of formation: -7409.82 kJ/mol Vermiculite-Na(hydrated) Na0.85Mg3.00Si3.15Al0.85O10(OH)2:5H2O = +3.000Mg+2 +0.850Na+ +0.850Al+3 -9.400H+ +3.150H4(SiO4) +4.400H2O log_k 43.68 # delta_h -359.36 kJ/mol # # Enthalpy of formation: -7563.982 kJ/mol ISCz-1(hyd) (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 12.05 # delta_h -216.866 kJ/mol # # Enthalpy of formation: -6624.35 kJ/mol 07GAI/BLA ISCz-1(des) (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 12.91 # delta_h -232.234 kJ/mol # # Enthalpy of formation: -5761.21 kJ/mol 07GAI/BLA 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 11.08 # delta_h -229.127 kJ/mol # # Enthalpy of formation: -5712.93 kJ/mol 07GAI/BLA 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 Compreignacite K2(UO2)6O4(OH)6:7H2O = +2.000K+ +17.000H2O -14.000H+ +6.000UO2+2 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 +17.000H2O -14.000H+ log_k 39.4 #08GOR/FEI delta_h -517.39 kJ/mol # # Enthalpy of formation: -10936.4 kJ/mol 06KUB/HEL Clarkeite Na(UO2)O(OH) = +1.000UO2+2 -3.000H+ +1.000Na+ +2.000H2O log_k 9.4 #08GOR/FEI delta_h -106.3 kJ/mol # # Enthalpy of formation: -1724.7 kJ/mol 06KUB/HEL 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 41.89 # delta_h -472.892 kJ/mol # # Enthalpy of formation: -7152.471 kJ/mol 07VIE 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 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 03FIA/MAJ 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 -0.44 # delta_h -138.257 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 99FAN/ROD 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 00ARN/STE 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 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 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 TcCO3(OH)2(s) TcCO3(OH)2 = +1.000TcO(OH)2 +2.000H+ +1.000CO3-2 -1.000H2O log_k -19.26 #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 -299.121 kJ/mol # # Enthalpy of formation: -592.04 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 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 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 99FAN/ROD 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 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 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 PuO2(coll) PuO2 = +1.000Pu+4 +2.000H2O -4.000H+ log_k 0.2 #07NEC/ALT #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 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 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 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 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 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 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+ +1.000HS- -0.260e- 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 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 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 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 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 0.35 #84NAN delta_h -98.575 kJ/mol # # Enthalpy of formation: -6810.055 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 #07BLA/BOU delta_h -130.107 kJ/mol # # Enthalpy of formation: -984.553 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 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 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 MX80(des) (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 8.35 # delta_h -215.133 kJ/mol # # Enthalpy of formation: -5672.84 kJ/mol 07GAI/BLA 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 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 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 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 6.47 # 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 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)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(desy) 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(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 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 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 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(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(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(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 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 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 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 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 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 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 ThO2(cr) ThO2 = +1.000Th+4 +2.000H2O -4.000H+ 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 +2.000H2O -4.000H+ log_k 9.3 #09RAN/FUG #delta_h kJ/mol # # Enthalpy of formation: kJ/mol ThO2(coll) ThO2 = +1.000Th+4 +2.000H2O -4.000H+ log_k 11.1 #09RAN/FUG #delta_h kJ/mol # # Enthalpy of formation: kJ/mol Na6Th(CO3)5:12H2O(cr) Na6Th(CO3)5:12H2O = +1.000Th+4 +5.000CO3-2 +12.000H2O +6.000Na+ log_k -42.2 #09RAN/FUG #delta_h kJ/mol # # Enthalpy of formation: kJ/mol # 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 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 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 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 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 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 O2(g) O2 = +1.000O2 log_k -2.9 # delta_h -12.134 kJ/mol # # Enthalpy of formation: 0 kJ/mol