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iphreeqc/database/SIT/ThermoChimie7d_sit_JUNE_2011.dat
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#
# 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., Fangh<67>nel, 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., Puigdom<6F>nech, 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.
#
# Gamsj<73>ger, H., Bugajski, J., Gajda, T., Lemire, R.J. and Preis, W.
# (2005). Chemical Thermodynamics 6: Chemical Thermodynamics of
# Nickel. NEA OECD, Elsevier
#
# Olin, A., Nol<6F>ng, B., Osadchii, E.G., <20>hman, L.O. and Ros<6F>n, 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., Griv<69>, 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., Griv<69>, 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., Griv<69>, M., Dom<6F>nech, 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:
# S<>lection de constantes thermodynamiques pour les <20>l<EFBFBD>ments
# majeours, le plom et le cadmium. ANDRA report C RP PSTR.07.0014
#
# Col<6F>s, E., Montoya, V., Gaona, X., Dom<6F>nech, C., Griv<69>, 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., Col<6F>s E., Griv<69> 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<31>227.
#
# Montoya, V., Tamayo, A, Gaona, X, Griv<69>, 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, Griv<69> 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.
#
# Griv<69> 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.
#
# Griv<69> 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; S<>lection de donn<6E>es thermodynamiques aff<66>rentes aux corrections de Temp<6D>rature sur les principaux <20>quilibres 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; S<>lection de donn<6E>es thermodynamiques aff<66>rentes aux corrections de Temp<6D>rature sur les principaux <20>quilibres 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 #82H<32>G
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; S<>lection de donn<6E>es thermodynamiques aff<66>rentes aux corrections de Temp<6D>rature sur les principaux <20>quilibres 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; S<>lection de donn<6E>es thermodynamiques aff<66>rentes aux corrections de Temp<6D>rature sur les principaux <20>quilibres 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 82H<32>G
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 #82H<32>G
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 #82H<32>G
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 #82H<32>G
delta_h 10.653 kJ/mol #
# Enthalpy of formation: -352.657 kJ/mol
+1.000Pb+2 +1.000I- = PbI+
log_k 1.98 #82H<32>G
delta_h 3.874 kJ/mol #
# Enthalpy of formation: -51.986 kJ/mol
+1.000Pb+2 +3.000I- = PbI3-
log_k 3.81 #82H<32>G
delta_h 3.163 kJ/mol #
# Enthalpy of formation: -166.257 kJ/mol
+1.000Pb+2 +4.000I- = PbI4-2
log_k 3.75 #82H<32>G
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 82H<32>G
delta_h -58.994 kJ/mol #74BEL/MAR in 82H<32>G
# Enthalpy of formation: -601.724 kJ/mol
+1.000Ag+ +2.000S2O3-2 = Ag(S2O3)2-3
log_k 13.64 #72POU/RIG in 82H<32>G
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 #97K<37>N/FAN
delta_h 25.106 kJ/mol #
# Enthalpy of formation: -758.674 kJ/mol
+1.000Am+3 +2.000Cl- = AmCl2+
log_k -0.74 #97K<37>N/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 #03B<33>T 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 s<>lection de donn<6E>es thermodynamiques en vue de mod<6F>liser les <20>quilibres min<69>ral - 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
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