max/iphreeqc
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/iphreeqc.git synced 2025-12-16 16:44:49 +01:00
Code Issues Packages Projects Releases Wiki Activity
iphreeqc/SIT/ThermoChimie7d_sit_JUNE_2011.dat
Darth Vader 39086e3af2 Squashed 'database/' changes from 488636ae..20e6e440 
20e6e440 still produces different residuals
6ea9caf0 Tony H2S. Amm.dat, phreeqc.dat, pitzer.dat, utf8, updated test cases
c1c97a85 before H2S
a7be9fcf Updated Amm.dat, phreeqc.dat, pitzer.dat for H2S(g)
b40b25fd Another SIT database
fce334ff use cmake for valgrind tests
90f9cb53 checking in test cases using latest revisions. degree sign in pitzer.dat
d45a37e0 database UTF-8
3aa7a146 Tony database update, kinetic_rates example
f385cf57 Tony's updates March 10, 2021
88afb660 Tony's changes March 10, 2021.
4396def4 add databases
e4e5449a [wphast] updated date
4c209593 [phreeqc3] updated image location
beaab1d6 more characters
6b8138c2 fixed degree sign
759cac1f fixed some sit.dat characters
3f258562 updated databases
8be6ec5f update to charlton master
2560903d [phreeqci] Testing subtree merges
1d71804f Merge commit 'a400365a5e06a9cd2ac0aa6e2c51fa4797c631f8'
a400365a [phreeqc3] Testing subtree merges
4296b155 Merge commit '0e8069e37275f23d47e04bd6b7873ec56dfdf088'
0e8069e3 Fixed bug with more porosities than cells in TRANSPORT. Added silica sorption to databases. Revised CalPortDiff
fa7cbaf5 Added .gitlab-ci.yml
6a8d5088 Added .gitlab-ci.yml
cfc208b0 updated installer
164b85d3 Fixed some bugs with iso.dat inverse modeling, added test case. Still does not generate [13C](4) and [13C](-4) from SOLUTION
06e25ec8 Correction to core10.dat from Neveu

git-subtree-dir: database
git-subtree-split: 20e6e440f056358f9887ada878a76d8e3d4ecc64
2021-10-30 22:54:23 +00:00

14399 lines
500 KiB
Plaintext
Raw Blame History

#
# Update note: ThermoChimie v.7.d June 2011.
# The database contains modifications related to SIT approach:
# -elimination of weak complexes: NaCl, Na(OH), Na(NO3), Na(SO4)-,
# KCl, K(OH), K(NO3), K(SO4)-, CaCl+, CaCl2, Ca(NO3)+, Ca(NO3)2, BaCl+
# -update of SIT interaction coefficients
#
# ---------------------------------------------------------------
# This database corresponds to the PHREEQCi version of the
# ThermoChimie v.7.c (December 2010),
# developed by Amphos 21, BRGM and HydrAsa for
# ANDRA, the French National Radioactive Waste Management Agency.The
# data selection process includes a compilation of the thermodynamic
# data reported in previous databases such as SUPCRT92, NBS (Wagman,
# D.D., Evans, W.H., Parker, V.B., Schumm, R.H., Halow, I., Bailey,
# S.M.,Churney, K.L., Nuttall, R.L., (1982), The NBS tables of
# chemical thermodynamic properties, selected values for inorganic
# and c1 and c2 organic substances in SI units. J. Phys. Chem. Ref.
# Data, V. 11, supp. 2, 392p), USGS Database (Robie R.A., and
# Hemingway B.S., 1995. Thermodynamic properties of minerals and
# related substances at 298.15 K and 1 Bar (105 Pascals) pressure
# and at higher temperatures. U.S. Geol. Survey Bull., 2131, 461 p)
# for major elements and the IAEA (Fuger J., Oetting F.L. The
# Chemical thermodynamics of actinide elements and compounds: Part
# I. The actinide aqueous ions, IAEA Vienna, 1976, 65pp.). Special
# review efforts are focused on elements of interest for radioactive
# waste management: Rb; Cs; Ba; Ra; B; Sn; Pb; Sb; Se; Zr; Hf; Nb;
# Mo; Mn; Tc; Fe; Co; Ni; Pd; Ag; Cd; Sm; Eu; Ho; Th; Pa; U; Np; Pu;
# Am; Cm; (Main data sources for U, Np, Pu, Am, Se, Ni and Zr and
# auxiliary species are the OECD NEA TDB Project compilations. The
# specific ionic theory for activity corrections has been used in
# the derivation of the stability constants when possible.
#
# Grenthe, I., Fuger, J., Konings, R.J.M., Lemire, R.J., Muller,
# A.B., Nguyen-Trung, C., Wanner, H. (1992): Chemical Thermodynamics
# 1; Chemical Thermodynamics of Uranium. NEA OECD, Elsevier;
#
# Lemire, R.J., Fuger, J., Nitsche, H., Potter, P., Rand, M.H.,
# Rydberg, J., Spahiu, K., Sullivan, J.C., Ullman, W.J., Vitorge, P.,
# Wanner, H. (2001) Chemical Thermodynamics 4. Chemical
# thermodynamics of neptunium and plutonium. NEA OECD, Elsevier;
#
# Guillaumont, R., Fanghänel, J., Neck, V., Fuger, J., Palmer, D.A.,
# Grenthe, I., Rand, M.H. (2003) Chemical Thermodynamics 5. Update on
# the Chemical Thermodynamics of Uranium, Neptunium, Plutonium,
# Americium and Technetium. NEA OECD, Elsevier;
#
# Brown, P., Curti, E., Grambow, B. (with a collaboration from
# Ekberg, C.) (2005) Chemical Thermodynamics 8. Chemical
# Thermodynamics of Zirconium. NEA Data bank, OECD. North Holland
# Elsevier Science Publishers B.V., Amsterdam, Netherlands;
#
# Hummel, W., Anderegg, G., Rao, L., Puigdomènech, I., Tochiyama, O.,
# (2005). Chemical Thermodynamics 9: Chemical Thermodynamics of
# Compounds and Complexes of U, Np, Pu, Am, Tc, Se, Ni and Zr with
# Selected Organic Ligands. NEA OECD. Elsevier.
#
# Gamsjäger, H., Bugajski, J., Gajda, T., Lemire, R.J. and Preis, W.
# (2005). Chemical Thermodynamics 6: Chemical Thermodynamics of
# Nickel. NEA OECD, Elsevier
#
# Olin, A., Noläng, B., Osadchii, E.G., Öhman, L.O. and Rosén, E.
# (2005). Chemical Thermodynamics 7: Chemical Thermodynamics of
# Selenium. NEA OECD, Elsevier
#
# Rand, M. H., J. Fuger, I. Grenthe, V. Neck and D. Rai. 2009.
# Chemical Thermodynamics of Thorium. Chemical Thermodynamics 11. NEA
# OECD. Issy-les- Moulineaux, France
#
# SIT coefficients have been implemented in the Thermochimie data
# base, following two purposes:
#
# - Ensure and make comprehensive the data selection with
# respect to species activity calculations, from the literature
# survey up to the extrapolation at the standard state. NEA TDB
# guidelines are currently applied here for consistency with the
# recommended values from this project;
#
# - Give relevant data sets for numerical applications under high
# ionic strength conditions. Modelling exercises are addressed to
# natural systems or material behaviour, which require large number of
# chemical equilibria. It is then needed to complete thermodynamic
# functions and SIT coefficients, in comparison to data sets available
# in literature.
#
# Data gaps for estabilty, entropy/enthalpy and SIT coefficients have
# been filled in by estimations. More detailed information about some
# of the methodologies used for data estimation can be found in the
# following references. Three main estimation methods have been
# followed for SIT interaction coefficients: a) by analogy to similar
# compounds, b) by correlation with "epsilon" of the same complex but
# with other ionic media (nitrate or perchlorate) and c) by using the
# approach of (Ciavatta, L.. (1990) The specific interaction theory
# in equilibrium analysis. Some empirical rules for estimating
# interaction coefficients of metal ion complexes. Annali di Chimica,
# 80, 255-263).
#
# Bruno, J., Duro, L., Cera, E., Grivé, M., El Aamrani, F., Rovira,
# M. (2001) Revision of the ThermoChimie Thermodynamic Database for
# radioelements. Version A. ANDRA report C.RP. 0ENQ.01.002 211 pp.
#
# Duro, L., Grivé, M., Cera, E., And Bruno, J. (2002) Revision of the
# thermodynamic database for radioelements. Version B. Final report.
# ANDRA report C.RP.0ENQ.02-001. 352 pp.
#
# Duro, L., Cera, E., Grivé, M., Domènech, C., Gaona, X. and Bruno,
# J. (2006) Development of the ThermoChimie thermodynamic database.
# Janvier 2006. ANDRA report C.RP.0ENQ.06.0001. 373 pp.
#
# Blanc, P., Piantone, P., Lassin, A., Burnol, A. (2006) ThemoChimie:
# Sélection de constantes thermodynamiques pour les éléments
# majeours, le plom et le cadmium. ANDRA report C RP PSTR.07.0014
#
# Colàs, E., Montoya, V., Gaona, X., Domènech, C., Grivé, M. and
# Duro, L. (2007) Development of ThermoChimie data base. Version 6.
# up-date. ANDRA report D.RP.0ENQ.07.0001. 362 pp.
#
# Gaona X., Montoya V., Colàs E., Grivé M., Duro L.. (2008) Review of
# the complexation of tetravalent actinides by ISA and gluconate
# under alkaline to hyperalkaline conditions. Journal of Contaminant
# Hydrology 102 (2008) 217-227.
#
# Montoya, V., Tamayo, A, Gaona, X, Grivé, M and Duro, L. (2008)
# Update of the ThermoChimie database. Reporting of new data
# selection 2007 Project ANDRA-TDB6-Task 1. Amphos 21 Progress Report
# vs.01.
#
# Duro L, Grivé M., Gaona X., Tamayo A (2009). Review and assessment
# of enthalpy data: procedures for data estimation and final data
# selection for solid compounds. December 2009. Project ANDRA- TDB6-
# Task2. v01. Amphos 21 internal report.
#
# Grivé M., Riba O., Montoya V. and Duro L. (2009) Update of the
# ThermoChimie database: Reporting of new data selection 2009.
# November 2009 Project ANDRA-TDB6-Task1.
#
# Grivé M., Riba O., Montoya V. and Duro L. (2010) Update of the
# ThermoChimie database: Reporting of new data selection 2010.
# June 2010
#
#
#
# This version has to be periodically up-dated and tested. Kindly
# send comments or corrections to thermochimie@amphos21.com
SOLUTION_MASTER_SPECIES
#element species alk gfw_formula element_gfw
Ag Ag+ 0 Ag 107.8682
Al Al+3 0 Al 26.9815
Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05
Am Am+3 0 Am 243
Am(+2) Am+2 0 Am 243
Am(+3) Am+3 0 Am 243
Am(+4) Am+4 0 Am 243
Am(+5) AmO2+ 0 Am 243
Am(+6) AmO2+2 0 Am 243
As AsO4-3 0 As 74.9216
B B(OH)4- 0 B 10.811
Ba Ba+2 0 Ba 137.327
Br Br- 0 Br 79.904
C CO3-2 2 CO3 12.011
C(+4) CO3-2 2 CO3 12.011
C(-4) CH4 0 CH4 12.011
Ca Ca+2 0 Ca 40.078
Cd Cd+2 0 Cd 112.411
Cit Cit-3 0 Cit 189.1013
Cl Cl- 0 Cl 35.4527
Cm Cm+3 0 Cm 247
Cn Cn- 0 Cn 26.018
Co Co+2 0 Co 58.9332
Cr CrO4-2 0 CrO4 51.9961
Cr(+2) Cr+2 0 Cr 51.9961
Cr(+3) Cr+3 0 Cr 51.9961
Cr(+6) CrO4-2 0 CrO4 51.9961
Cs Cs+ 0 Cs 132.9054
Cu Cu+2 0 Cu 63.546
Cu(+1) Cu+ 0 Cu 63.546
Cu(+2) Cu+2 0 Cu 63.546
E e- 0 0
Edta Edta-4 0 Edta 288.2134
Eu Eu+3 0 Eu 151.965
Eu(+2) Eu+2 0 Eu 151.965
Eu(+3) Eu+3 0 Eu 151.965
F F- 0 F 18.9984
Fe Fe+2 0 Fe 55.847
Fe(+2) Fe+2 0 Fe 55.847
Fe(+3) Fe+3 0 Fe 55.847
Glu HGlu- 0 Glu 195.1459
H H+ -1 H 1.0079
H(+1) H+ -1 H 1.0079
H(0) H2 0 H 1.0079
Hf Hf+4 0 Hf 178.49
Hg Hg+2 0 Hg 200.59
Hg(+2) Hg+2 0 Hg 200.59
Hg(+1) Hg2+2 0 Hg2 401.18
Ho Ho+3 0 Ho 164.9303
I I- 0 I 126.9045
I(+5) IO3- 0 I 126.9045
I(-1) I- 0 I 126.9045
Isa HIsa- 0 HIsa 180.1548
K K+ 0 K 39.0983
Li Li+ 0 Li 6.941
Mg Mg+2 0 Mg 24.305
Mn Mn+2 0 Mn 54.938
Mo MoO4-2 0 Mo 95.94
N NO3- 0 N 14.0067
N(+5) NO3- 0 N 14.0067
N(-3) NH3 1 N 14.0067
Na Na+ 0 Na 22.9898
Nb Nb(OH)6- 0 Nb 92.9064
Ni Ni+2 0 Ni 58.69
Np NpO2+2 0 Np 237.048
Np(+3) Np+3 0 Np 237.048
Np(+4) Np+4 0 Np 237.048
Np(+5) NpO2+ 0 Np 237.048
Np(+6) NpO2+2 0 Np 237.048
Nta Nta-3 0 Nta 188.1165
O H2O 0 O 15.999
O(0) O2 0 O 15.9994
O(-2) H2O 0 O 15.9994
Ox Ox-2 0 Ox 88.0196
P H2(PO4)- 1 P 30.9738
Pa Pa+4 0 Pa 231.0359
Pa(+4) Pa+4 0 Pa 231.0359
Pa(+5) PaO2+ 0 Pa 231.0359
Pb Pb+2 0 Pb 207.2
Pd Pd+2 0 Pd 106.42
Pu PuO2+2 0 Pu 244
Pu(+3) Pu+3 0 Pu 244
Pu(+4) Pu+4 0 Pu 244
Pu(+5) PuO2+ 0 Pu 244
Pu(+6) PuO2+2 0 Pu 244
Pyrophos Pyrophos-4 0 Pyrophos 173.95
Ra Ra+2 0 Ra 226.025
Rb Rb+ 0 Rb 85.4678
S SO4-2 0 SO4 32.066
S(+2) S2O3-2 0 S 32.066
S(+3) S2O4-2 0 S2O4-2 128.128
S(+4) SO3-2 0 S 32.066
S(+6) SO4-2 0 SO4 32.066
S(-2) HS- 1 S 32.066
Sb Sb(OH)3 0 Sb 121.76
Sb(+3) Sb(OH)3 0 Sb 121.76
Sb(+5) Sb(OH)5 0 Sb 121.76
Scn Scn- 0 Scn 58.084
Se SeO4-2 0 Se 78.96
Se(+4) SeO3-2 0 Se 78.96
Se(+6) SeO4-2 0 Se 78.96
Se(-2) HSe- 0 Se 78.96
Si H4(SiO4) 0 Si 28.0855
Sm Sm+3 0 Sm 150.36
Sn Sn+2 0 Sn 118.71
Sn(+2) Sn+2 0 Sn 118.71
Sn(+4) Sn+4 0 Sn 118.71
Sr Sr+2 0 Sr 87.62
Tc TcO(OH)2 0 Tc 98
Tc(+4) TcO(OH)2 0 Tc 98
Tc(+6) TcO4-2 0 Tc 98
Tc(+7) TcO4- 0 Tc 98
Th Th+4 0 Th 232.0381
U UO2+2 0 U 238.0289
U(+3) U+3 0 U 238.0289
U(+4) U+4 0 U 238.0289
U(+5) UO2+ 0 U 238.0289
U(+6) UO2+2 0 U 238.0289
Zn Zn+2 0 Zn 65.39
Zr Zr+4 0 Zr 91.22
SIT
-epsilon
(NpO2)2(OH)2+2 Cl- -0.248
(NpO2)2(OH)2+2 ClO4- 0.57
(NpO2)3(OH)5+ Cl- -0.226
(NpO2)3(OH)5+ ClO4- 0.45
PuO2(OH)+ Cl- -0.003
(PuO2)2(OH)2+2 Cl- -0.248
PuO2Cl+ Cl- 0.318
(UO2)2(OH)2+2 Cl- 0.69
(UO2)2(OH)2+2 ClO4- 0.57
(UO2)2(OH)2+2 NO3- 0.49
(UO2)3(OH)4+2 Cl- 0.5
(UO2)3(OH)5+ Cl- 0.81
Ag+ Cl- 0.031
Al(OH)+2 Cl- 0.09
Al(OH)2+ Cl- 0.09
Al+3 Cl- 0.33
Am(CO3)+ Cl- 0.129
Am(CO3)+ ClO4- 0.17
Am(H2PO4)+2 Cl- 0.191
Am(H2PO4)+2 ClO4- 0.39
Am(NO3)+2 Cl- 0.191
Am(NO3)+2 ClO4- 0.39
Am(OH)+2 Cl- -0.04
Am(OH)+2 ClO4- 0.39
Am(OH)2+ Cl- -0.29
Am(OH)2+ ClO4- 0.17
Am(Ox)+ ClO4- 0.08
Am(SO4)+ Cl- 0.157
Am(SO4)+ ClO4- 0.22
Am+3 Cl- 0.23
Am+3 ClO4- 0.49
AmCl+2 Cl- 0.191
AmCl2+ Cl- 0.129
AmF+2 Cl- 0.191
AmF+2 ClO4- 0.39
AmF2+ Cl- 0.129
AmF2+ ClO4- 0.17
AmO2+ Cl- 0.09
AmO2+2 Cl- 0.39
Ba+2 Cl- 0.07
Ba+2 ClO4- 0.15
Ba+2 NO3- -0.28
Ca+2 Cl- 0.14
Ca+2 ClO4- 0.27
Ca+2 NO3- 0.02
Ca4Th(OH)8+4 Cl- -0.01
Ca4Th(OH)8+4 ClO4- 0.21
Cd(HCO3)+ Cl- 0.2
Cd+2 Cl- 0.16
Cd+2 ClO4- 0.09
CdCl+ Cl- 0.127
CdCl+ ClO4- 0.25
CdI+ Cl- 0.136
CdI+ ClO4- 0.27
Cm(H2PO4)+2 Cl- 0.191
Cm(H2PO4)+2 ClO4- 0.39
Cm(OH)+2 Cl- -0.04
Cm(OH)+2 ClO4- 0.39
Cm(OH)2+ Cl- -0.27
Cm(OH)2+ ClO4- 0.17
Cm+3 Cl- 0.23
Cm+3 ClO4- 0.49
CmCl+2 Cl- 0.191
CmCl+2 ClO4- 0.39
CmCl2+ Cl- 0.129
CmCO3+ Cl- 0.35
CmF+2 ClO4- 0.39
CmF2+ ClO4- 0.17
CmNO3+2 ClO4- 0.39
CmSO4+ Cl- 0.157
CmSO4+ ClO4- 0.22
Co+2 Cl- 0.16
Co+2 ClO4- 0.34
Co+2 NO3- 0.14
Cr+3 Cl- 0.30
Cr+3 ClO4- 0.27
Cu+ ClO4- 0.11
Cu+2 Cl- 0.08
Cu+2 ClO4- 0.32
Cu+2 NO3- 0.11
Eu(CO3)+ Cl- 0.129
Eu(CO3)+ ClO4- 0.17
Eu(H2PO4)+2 Cl- 0.191
Eu(H2PO4)+2 ClO4- 0.39
Eu(NO3)+2 Cl- 0.191
Eu(NO3)+2 ClO4- 0.39
Eu(OH)+2 Cl- -0.04
Eu(OH)+2 ClO4- 0.39
Eu(OH)2+ Cl- -0.29
Eu(OH)2+ ClO4- 0.17
Eu(SO4)+ Cl- 0.157
Eu(SO4)+ ClO4- 0.22
Eu+3 Cl- 0.23
Eu+3 ClO4- 0.49
EuCl+2 Cl- 0.191
EuCl+2 ClO4- 0.39
EuCl2+ Cl- 0.129
EuF+2 Cl- 0.191
EuF2+ Cl- 0.129
Fe+3 ClO4- 0.56
Fe+3 NO3- 0.42
Fe(OH)+2 Cl- 0.186
H+ Cl- 0.12
H+ ClO4- 0.14
H+ NO3- 0.07
H5(Edta)+ Cl- -0.23
H5(Edta)+ ClO4- -0.23
H5(Edta)+ NO3- -0.23
H6(Edta)+2 Cl- -0.20
H6(Edta)+2 ClO4- -0.20
H6(Edta)+2 NO3- -0.20
Hf(NO3)2+2 ClO4- 0.84
Hf(OH)+3 ClO4- 0.57
Hf+4 Cl- 0.89
Hf+4 ClO4- 0.89
Hf+4 NO3- 0.89
HfCl+3 ClO4- 0.87
HfCl2+2 ClO4- 0.84
HfF+3 ClO4- 0.63
HfF2+2 ClO4- 0.47
HfNO3+3 ClO4- 0.91
Hg+2 Cl- 0.168
Hg2+2 Cl- 0.054
Ho(CO3)+ Cl- 0.129
Ho(CO3)+ ClO4- 0.17
Ho(H2PO4)+2 Cl- 0.191
Ho(H2PO4)+2 ClO4- 0.39
Ho(NO3)+2 Cl- 0.191
Ho(NO3)+2 ClO4- 0.39
Ho(OH)+2 Cl- -0.04
Ho(OH)+2 ClO4- 0.39
Ho(OH)2+ Cl- -0.29
Ho(OH)2+ ClO4- 0.17
Ho(SO4)+ Cl- 0.157
Ho(SO4)+ ClO4- 0.22
Ho+3 Cl- 0.23
Ho+3 ClO4- 0.49
HoCl+2 Cl- 0.191
HoCl+2 ClO4- 0.39
HoCl2+ Cl- 0.129
HoF+2 Cl- 0.191
HoF+2 ClO4- 0.39
HoF2+ Cl- 0.129
HoF2+ ClO4- 0.17
K+ Cl- 0.00
K+ NO3- -0.11
Li+ Cl- 0.1
Li+ ClO4- 0.15
Li+ NO3- 0.08
Mg+2 Cl- 0.19
Mg+2 ClO4- 0.33
Mg+2 NO3- 0.17
Mn+2 Cl- 0.13
Na+ Cl- 0.03
Na+ ClO4- 0.01
Na+ NO3- -0.04
NH4+ Cl- -0.01
NH4+ ClO4- -0.08
NH4+ NO3- -0.06
Ni(HCO3)+ Cl- 0.085
Ni(NO3)+ Cl- 0.06
Ni(NO3)+ ClO4- 0.44
Ni(OH)+ Cl- -0.01
Ni(OH)+ ClO4- 0.14
Ni(Scn)+ Cl- 0.11
Ni(Scn)+ ClO4- 0.31
Ni+2 Cl- 0.17
Ni+2 ClO4- 0.37
Ni+2 NO3- 0.182
Ni4(OH)4+4 ClO4- 1.08
NiCl+ Cl- 0.1
NiCl+ ClO4- 0.34
NiF+ Cl- 0.065
NiF+ ClO4- 0.34
NiHS+ ClO4- -0.85
Np(CO3)+ Cl- 0.129
Np(CO3)+ ClO4- 0.17
Np(NO3)+3 ClO4- 0.71
Np(OH)+2 Cl- -0.04
Np(OH)+2 ClO4- 0.39
Np(OH)+3 Cl- 0.2
Np(OH)+3 ClO4- 0.5
Np(OH)2+ Cl- -0.29
Np(OH)2+ ClO4- 0.17
Np(OH)2+2 Cl- 0.1
Np(OH)3+ Cl- 0.05
Np(SO4)+ Cl- 0.157
Np(SO4)+ ClO4- 0.22
Np(SO4)+2 Cl- 0.232
Np(SO4)+2 ClO4- 0.48
Np+3 Cl- 0.23
Np+3 ClO4- 0.49
Np+4 Cl- 0.4
Np+4 ClO4- 0.84
NpCl+3 ClO4- 0.81
NpF+3 ClO4- 0.58
NpF2+2 Cl- 0.186
NpF2+2 ClO4- 0.38
NpF3+ Cl- 0.1
NpI+3 ClO4- 0.77
NpO2(NO3)+ Cl- 0.22
NpO2(OH)+ Cl- -0.003
NpO2(OH)+ ClO4- -0.06
NpO2+ Cl- 0.09
NpO2+ ClO4- 0.25
NpO2+2 Cl- 0.223
NpO2+2 ClO4- 0.46
NpO2Cl+ Cl- 0.318
NpO2Cl+ ClO4- 0.5
NpO2F+ Cl- 0.197
NpO2F+ ClO4- 0.29
Pa+4 Cl- 0.3
PaO(OH)+2 Cl- 0.13
Pb+2 Cl- 0.081
Pb+2 ClO4- 0.15
Pb+2 NO3- -0.2
PbF+ Cl- 0.14
Pd+2 Cl- 0.16
PdBr+ Cl- 0.175
PdCl+ Cl- 0.175
Pu(CO3)+ Cl- 0.129
Pu(CO3)+ ClO4- 0.17
Pu(NO3)+2 Cl- 0.191
Pu(NO3)+2 ClO4- 0.39
Pu(NO3)+3 ClO4- 0.59
Pu(OH)+2 Cl- -0.04
Pu(OH)+2 ClO4- 0.39
Pu(OH)+3 Cl- 0.2
Pu(OH)+3 ClO4- 0.5
Pu(OH)2+ Cl- -0.29
Pu(OH)2+ ClO4- 0.17
Pu(OH)2+2 Cl- 0.1
Pu(OH)3+ Cl- 0.05
Pu(SO4)+ Cl- 0.157
Pu(SO4)+ ClO4- 0.22
Pu(SO4)+2 Cl- 0.232
Pu(SO4)+2 ClO4- 0.36
Pu+3 Cl- 0.23
Pu+3 ClO4- 0.49
Pu+4 Cl- 0.37
Pu+4 ClO4- 0.82
PuBr+3 Cl- 0.1
PuBr+3 ClO4- 0.58
PuCl+3 Cl- 0.1
PuCl+3 ClO4- 0.85
PuF+3 Cl- 0.1
PuF+3 ClO4- 0.56
PuF2+2 Cl- 0.177
PuF2+2 ClO4- 0.36
PuF3+ Cl- 0.1
PuI+2 Cl- 0.191
PuI+2 ClO4- 0.39
PuI+3 Cl- 0.1
PuO2+ Cl- 0.129
PuO2+ ClO4- 0.24
PuO2+2 Cl- 0.223
PuO2+2 ClO4- 0.46
PuO2Cl+ ClO4- 0.5
PuO2F+ Cl- 0.197
PuO2F+ ClO4- 0.29
PuO2NO3+ Cl- 0.22
Sm(CO3)+ Cl- 0.129
Sm(CO3)+ ClO4- 0.17
Sm(H2PO4)+2 Cl- 0.191
Sm(H2PO4)+2 ClO4- 0.39
Sm(NO3)+2 Cl- 0.191
Sm(NO3)+2 ClO4- 0.39
Sm(OH)+2 Cl- -0.04
Sm(OH)+2 ClO4- 0.39
Sm(OH)2+ Cl- -0.29
Sm(OH)2+ ClO4- 0.17
Sm(SO4)+ Cl- 0.157
Sm(SO4)+ ClO4- 0.22
Sm+3 Cl- 0.23
Sm+3 ClO4- 0.49
SmCl+2 Cl- 0.191
SmCl+2 ClO4- 0.39
SmF+2 Cl- 0.191
SmF+2 ClO4- 0.39
Sn(OH)+ Cl- 0.2
Sn+2 Cl- 0.26
Th(H2PO4)+3 ClO4- 0.5
Th(H2PO4)2+2 ClO4- 0.4
Th(H3PO4)(H2PO4)+3 ClO4- 0.5
Th(H3PO4)+4 ClO4- 0.7
Th(NO3)+3 ClO4- 0.56
Th(NO3)+3 NO3- 0.56
Th(NO3)2+2 ClO4- 0.43
Th(NO3)2+2 NO3- 0.43
Th(OH)+3 Cl- 0.19
Th(OH)+3 ClO4- 0.48
Th(OH)+3 NO3- 0.2
Th(OH)2+2 Cl- 0.13
Th(OH)2+2 ClO4- 0.33
Th(OH)2+2 NO3- 0.1
Th(OH)3+ Cl- 0.06
Th(OH)3+ ClO4- 0.15
Th(OH)3+ NO3- 0.05
Th(SO4)+2 Cl- 0.14
Th(SO4)+2 ClO4- 0.3
Th+4 Cl- 0.7
Th+4 ClO4- 0.7
Th+4 NO3- 0.7
Th2(OH)2+6 Cl- 0.4
Th2(OH)2+6 ClO4- 1.22
Th2(OH)2+6 NO3- 0.69
Th2(OH)3+5 Cl- 0.29
Th2(OH)3+5 ClO4- 0.91
Th2(OH)3+5 NO3- 0.69
Th4(OH)12+4 Cl- 0.25
Th4(OH)12+4 ClO4- 0.56
Th4(OH)12+4 NO3- 0.42
Th4(OH)8+8 Cl- 0.7
Th4(OH)8+8 ClO4- 1.69
Th4(OH)8+8 NO3- 1.59
Th6(OH)14+10 Cl- 0.83
Th6(OH)14+10 ClO4- 2.2
Th6(OH)14+10 NO3- 2.9
Th6(OH)15+9 Cl- 0.72
Th6(OH)15+9 ClO4- 1.85
Th6(OH)15+9 NO3- 2.2
ThCl+3 Cl- 0.62
ThCl+3 ClO4- 0.62
ThF+3 ClO4- 0.48
ThF+3 NO3- 0.25
ThF2+2 ClO4- 0.3
ThF2+2 NO3- 0.15
ThF3+ ClO4- 0.1
ThF3+ NO3- 0.0
U(NO3)+3 ClO4- 0.62
U(NO3)2+2 Cl- 0.236
U(NO3)2+2 ClO4- 0.49
U(OH)+3 Cl- 0.2
U(OH)+3 ClO4- 0.48
U(OH)2+2 Cl- 0.1
U(OH)3+ Cl- 0.05
U(SO4)+2 Cl- 0.149
U(SO4)+2 ClO4- 0.3
U+3 Cl- 0.23
U+3 ClO4- 0.49
U+4 Cl- 0.36
U+4 ClO4- 0.76
UBr+3 ClO4- 0.52
UCl+3 Cl- 0.1
UCl+3 ClO4- 0.5
UF+3 Cl- 0.1
UF+3 ClO4- 0.48
UF2+2 Cl- 0.149
UF2+2 ClO4- 0.3
UF3+ Cl- 0.1
UF3+ ClO4- 0.1
UI+3 ClO4- 0.55
UI+3 NO3- 0.56
UO2(NO3)+ Cl- 0.22
UO2(NO3)+ ClO4- 0.33
UO2(OH)+ Cl- -0.003
UO2(OH)+ ClO4- -0.06
UO2(OH)+ NO3- 0.51
UO2+ Cl- 0.18
UO2+ ClO4- 0.26
UO2+2 Cl- 0.46
UO2+2 ClO4- 0.46
UO2+2 NO3- 0.46
UO2Br+ Cl- 0.169
UO2Br+ ClO4- 0.24
UO2Cl+ Cl- 0.22
UO2Cl+ ClO4- 0.33
UO2F+ Cl- 0.04
UO2F+ ClO4- 0.28
Zn+2 Cl- 0.163
Zn+2 ClO4- 0.33
Zn+2 NO3- 0.16
Zr(NO3)2+2 ClO4- 0.84
Zr(OH)+3 ClO4- 0.57
Zr(OH)2+2 ClO4- 0.62
Zr+4 Cl- 0.89
Zr+4 ClO4- 0.89
Zr+4 NO3- 0.89
Zr4(OH)15+ ClO4- 0.09
ZrCl+3 ClO4- 0.87
ZrCl2+2 ClO4- 0.84
ZrF+3 ClO4- 0.63
ZrF2+2 ClO4- 0.47
ZrNO3+3 ClO4- 0.88
(NpO2)2CO3(OH)3- Na+ 0
(NpO2)3(CO3)6-6 Na+ -0.46
(PuO2)3(CO3)6-6 Na+ -0.46
(UO2)2(CO3)(OH)3- Na+ 0
(UO2)2(NpO2)(CO3)6-6 Na+ 0.09
(UO2)3(CO3)6-6 Na+ 0.37
Ag(SeO3)- Na+ -0.024
Am(CO3)2- Na+ -0.14
Am(CO3)3-3 Na+ -0.23
Am(CO3)5-6 Na+ -0.3
Am(Edta)- Na+ 0.01
Am(Ox)2- Na+ -0.21
Am(Ox)3-3 Na+ -0.23
Am(SO4)2- Na+ -0.05
AmO2(CO3)- Na+ -0.18
AmO2(CO3)2-3 Na+ -0.33
AmO2(CO3)3-5 Na+ -0.53
B(OH)4- Na+ -0.07
Br- Na+ 0.05
Ca(Ox)2-2 Na+ -0.15
Cit-3 Na+ -0.076
Cm(CO3)2- Na+ 0.34
Cm(CO3)3-3 Na+ 0.16
Cm(SO4)2- Na+ -0.05
Cn- Na+ 0.07
CO3-2 Na+ -0.08
Edta-4 Na+ 0.32
Eu(CO3)2- Na+ -0.14
Eu(CO3)3-3 Na+ -0.23
Eu(SO4)2- Na+ -0.05
F- Na+ 0.02
H(Cit)-2 Na+ -0.04
H(Edta)-3 Na+ -0.10
H(Ox)- Na+ -0.07
H(SeO3)- Na+ 0.02
H(SeO4)- Na+ 0
H(SO4)- Na+ -0.01
H2(Cit)- Na+ -0.05
H2(Edta)-2 Na+ -0.37
H2(PO4)- Na+ -0.08
H2(SiO4)-2 Na+ -0.1
H3(Edta)- Na+ -0.33
H3(SiO4)- Na+ -0.08
HCO3- Na+ 0.00
Hg(SeO3)2-2 Na+ 0.008
HGlu- Na+ -0.07
HIsa- Na+ -0.07
HMoO4- Na+ -0.099
Ho(CO3)2- Na+ -0.14
Ho(CO3)3-3 Na+ -0.23
Ho(SO4)2- Na+ -0.05
HPO4-2 Na+ -0.15
I- Na+ 0.08
IO3- Na+ -0.06
Mg(Cit)- Na+ 0.03
Mg(Edta)-2 Na+ -0.01
Mg(HEdta)- Na+ 0.11
Mg(Ox)2-2 Na+ -0.15
Mo7O21(OH)3-3 Na+ -1.455
Mo7O22(OH)2-4 Na+ -1.346
Mo7O23(OH)-5 Na+ -1.145
Mo7O24-6 Na+ -1.265
MoO4-2 Na+ 0.034
Ni(Cit)- Na+ 0.22
Ni(Cn)4-2 Na+ 0.185
Ni(Cn)5-3 Na+ 0.25
Ni(CO3)2-2 Na+ 0.003
Ni(OH)3- Na+ 0.88
Ni(Scn)3- Na+ 0.66
Ni(SO4)2-2 Na+ -0.263
NO3- Na+ -0.04
Np(CO3)(OH)3- Na+ -0.11
Np(CO3)2- Na+ -0.14
Np(CO3)3-3 Na+ -0.23
Np(CO3)4-4 Na+ -0.09
Np(CO3)5-6 Na+ 0
Np(OH)4(CO3)-2 Na+ -0.13
Np(SO4)2- Na+ -0.05
NpO2(Cit)-2 Na+ -0.06
NpO2(CO3)- Na+ -0.18
NpO2(CO3)2-2 Na+ -0.02
NpO2(CO3)2-3 Na+ -0.33
NpO2(CO3)2OH-4 Na+ -0.4
NpO2(CO3)3-4 Na+ -0.4
NpO2(CO3)3-5 Na+ -0.53
NpO2(Edta)-3 Na+ 0.2
NpO2(H2Edta)- Na+ -0.18
NpO2(HEdta)-2 Na+ 0.07
NpO2(HPO4)2-2 Na+ -0.1
NpO2(OH)2- Na+ -0.01
NpO2(Ox)- Na+ -0.4
NpO2(Ox)2-3 Na+ -0.3
NpO2(SO4)- Na+ -0.74
NpO2(SO4)2-2 Na+ -0.12
OH- Na+ 0.04
OH- K+ 0.09
Ox-2 Na+ -0.08
Pb(OH)3- Na+ 0.02
Pb(SO4)2-2 Na+ -0.52
Pd(SO4)2-2 Na+ -0.12
PdBr3- Na+ 0
PdBr4-2 Na+ 0.1
PdCl3- Na+ 0
PdCl4-2 Na+ 0.1
PO4-3 Na+ -0.25
Pu(CO3)2- Na+ -0.14
Pu(CO3)3-3 Na+ -0.23
Pu(CO3)4-4 Na+ -0.09
Pu(CO3)5-6 Na+ 0
Pu(SO4)2- Na+ -0.05
PuO2(CO3)2-2 Na+ -0.7
PuO2(CO3)3-4 Na+ -0.2
PuO2(CO3)3-5 Na+ -0.53
PuO2(SO4)- Na+ -0.74
PuO2(SO4)2-2 Na+ -0.12
PuO2CO3- Na+ -0.18
PuO2F3- Na+ 0
Scn- Na+ 0.05
SeO3-2 Na+ -0.08
SeO4-2 Na+ -0.12
Si2O2(OH)5- Na+ -0.08
Si2O3(OH)4-2 Na+ -0.15
Si3O5(OH)5-3 Na+ -0.25
Si3O6(OH)3-3 Na+ -0.25
Si4O7(OH)5-3 Na+ -0.25
Sm(CO3)2- Na+ -0.14
Sm(CO3)3-3 Na+ -0.23
Sm(SO4)2- Na+ -0.05
Sn(OH)3- Na+ 0.33
SnBr3- Na+ -0.04
SnCl3- Na+ -0.36
SO3-2 Na+ -0.08
SO4-2 Na+ -0.12
SO4-2 K+ -0.06
Th(CO3)5-6 Na+ -0.3
Th(OH)(CO3)4-5 Na+ -0.22
Th(OH)2(CO3)2-2 Na+ -0.1
Th(OH)3(CO3)- Na+ -0.05
Th(OH)4(CO3)-2 Na+ -0.1
Th(SO4)3-2 Na+ -0.091
U(CO3)4-4 Na+ -0.09
U(CO3)5-6 Na+ -0.3
UO2(Cit)- Na+ -0.11
UO2(CO3)2-2 Na+ -0.02
UO2(CO3)3-4 Na+ -0.01
UO2(CO3)3-5 Na+ -0.62
UO2(OH)3- Na+ -0.09
UO2(Ox)2-2 Na+ -0.18
UO2(Ox)3-4 Na+ -0.01
UO2(SO4)2-2 Na+ -0.12
UO2F3- Na+ -0.14
UO2F4-2 Na+ -0.3
Zr(CO3)4-4 Na+ -0.09
Zr(OH)6-2 Na+ -0.1
ZrF5- Na+ -0.14
ZrF6-2 Na+ -0.15
SOLUTION_SPECIES
+1.000Co+2 = Co+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -57.6 kJ/mol 98PLY/ZHA
+1.000Mn+2 = Mn+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -220.8 kJ/mol 95ROB/HEM
+1.000Cu+2 = Cu+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: 64.9 kJ/mol 92GRE/FUG
+1.000Ca+2 = Ca+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -543 kJ/mol 89COX/WAG
+1.000Ni+2 = Ni+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -55.012 kJ/mol 05GAM/BUG
+1.000Hg+2 = Hg+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: 170.21 kJ/mol 92GRE/FUG
+1.000Mg+2 +2.000NH3 = Mg(NH3)2+2
log_k 0 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
#delta_h kJ/mol #
# Enthalpy of formation: -629.296 kJ/mol
+1.000Mg+2 = Mg+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -467 kJ/mol 89COX/WAG
+1.000Eu+3 = Eu+3
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -605.331 kJ/mol
+1.000Li+ = Li+
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 = Sr+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -550.9 kJ/mol 84BUS/PLUS
+1.000Th+4 = Th+4
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -768.7 kJ/mol 09RAN/FUG
+1.000PuO2+2 = PuO2+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -822.036 kJ/mol 01LEM/FUG
+1.000K+ = K+
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -252.14 kJ/mol 89COX/WAG
+1.000NpO2+2 = NpO2+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -860.733 kJ/mol 01LEM/FUG
+1.000Sm+3 = Sm+3
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -691.199 kJ/mol
+1.000Cd+2 = Cd+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -75.92 kJ/mol 89COX/WAG
+1.000Pyrophos-4 = Pyrophos-4
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H4(SiO4) = H4(SiO4)
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -1461.194 kJ/mol
+1.000Na+ = Na+
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -240.34 kJ/mol 92GRE/FUG (89COX/WAG)
+1.000H+ = H+
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: 0 kJ/mol 89COX/WAG
+1.000Pd+2 = Pd+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: 189.883 kJ/mol
+1.000Am+3 = Am+3
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -616.7 kJ/mol 95SIL/BID
+1.000Ra+2 = Ra+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -528.025 kJ/mol
+1.000Ho+3 = Ho+3
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -707.042 kJ/mol
+1.000Nb(OH)6- = Nb(OH)6-
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -1925.665 kJ/mol
+1.000e- = e-
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: 0 kJ/mol 89COX/WAG
+1.000Ba+2 = Ba+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -534.8 kJ/mol 95SIL/BID
+1.000Cn- = Cn-
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: 150.624 kJ/mol 92JOH/OEL
+1.000Cit-3 = Cit-3
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -1519.92 kJ/mol
+1.000Ox-2 = Ox-2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -830.66 kJ/mol
+1.000Zn+2 = Zn+2
log_k 0 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: -153.39 kJ/mol 92GRE/FUG
+1.000H2(PO4)- = H2(PO4)-
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -1302.6 kJ/mol 89COX/WAG
+1.000Nta-3 = Nta-3
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Edta-4 = Edta-4
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -1704.8 kJ/mol 05HUM/AND
+1.000HIsa- = HIsa-
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cs+ = Cs+
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -258 kJ/mol 95SIL/BID
+1.000HGlu- = HGlu-
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Hf+4 = Hf+4
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -628.91 kJ/mol 99VAS/LYT
+1.000Sb(OH)3 = Sb(OH)3
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -733.892 kJ/mol
+1.000B(OH)4- = B(OH)4-
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -1345.116 kJ/mol 99RAR/RAN
+1.000Fe+2 = Fe+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -90 kJ/mol 98CHI
+1.000Pb+2 = Pb+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: 0.92 kJ/mol 89COX/WAG
+1.000MoO4-2 = MoO4-2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -997 kJ/mol 74OHA
+1.000SeO4-2 = SeO4-2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -603.5 kJ/mol 05OLI/NOL
+1.000Ag+ = Ag+
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: 105.79 kJ/mol 95SIL/BID
+1.000Al+3 = Al+3
log_k 0 #
delta_h 0 kJ/mol #
# Enthalpy of formation: -538.4 kJ/mol 95POK/HEL
+1.000Rb+ = Rb+
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -251.12 kJ/mol 92GRE/FUG
+1.000Pa+4 = Pa+4
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -620 kJ/mol 85BAR/PAR
+1.000Zr+4 = Zr+4
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -608.5 kJ/mol 05BRO/CUR
+1.000Cm+3 = Cm+3
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -615 kJ/mol 01KON
+1.000CrO4-2 = CrO4-2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -879 kJ/mol
+1.000H2O = H2O
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 = Sn+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -8.9 kJ/mol 89COX/WAG
+1.000UO2+2 = UO2+2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -1019 kJ/mol 92GRE/FUG
+1.000TcO(OH)2 = TcO(OH)2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -749.32 kJ/mol
+1.000CO3-2 = CO3-2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -675.23 kJ/mol 89COX/WAG
+1.000SO4-2 = SO4-2
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -909.34 kJ/mol 89COX/WAG
+1.000Cl- = Cl-
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -167.08 kJ/mol 89COX/WAG
+1.000F- = F-
log_k 0 #95SIL/BID
#delta_h kJ/mol #
# Enthalpy of formation: -335.35 kJ/mol 95SIL/BID
+1.000Br- = Br-
log_k 0 #95SIL/BID
#delta_h kJ/mol #
# Enthalpy of formation: -121.41 kJ/mol 95SIL/BID
+1.000I- = I-
log_k 0 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: -56.78 kJ/mol 92GRE/FUG
+1.000Scn- = Scn-
log_k 0 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: 76.4 kJ/mol 92GRE/FUG
+1.000AsO4-3 = AsO4-3
log_k 0 #
#delta_h kJ/mol #
# Enthalpy of formation: -888.14 kJ/mol 01LEM/FUG
+1.000NO3- = NO3-
log_k 0 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: -206.85 kJ/mol 92GRE/FUG
+1.000Ca+2 +1.000Ox-2 = Ca(Ox)
log_k 3.19 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +2.000Ox-2 = Ca(Ox)2-2
log_k 4.02 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +2.000H+ +1.000Cit-3 = Ca(H2Cit)+
log_k 12.67 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +1.000H+ +1.000Cit-3 = Ca(HCit)
log_k 9.28 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +1.000Cit-3 = Ca(Cit)-
log_k 4.8 #05HUM/AND
delta_h 0 kJ/mol #
# Enthalpy of formation: -2062.92 kJ/mol
+1.000Ca+2 +1.000Nta-3 = Ca(Nta)-
log_k 7.73 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +1.000H+ +1.000Nta-3 = Ca(HNta)
log_k 13.4 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +2.000H+ +2.000Nta-3 = Ca(HNta)2-2
log_k 23.63 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +1.000H+ +1.000Edta-4 = Ca(HEdta)-
log_k 16.23 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +1.000Edta-4 = Ca(Edta)-2
log_k 12.69 #05HUM/AND
delta_h -22.2 kJ/mol #
# Enthalpy of formation: -2270 kJ/mol
+1.000Ca+2 +1.000HIsa- = Ca(HIsa)+
log_k 1.7 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 -1.000H+ +1.000HIsa- = Ca(Isa)
log_k -10.4 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +1.000HGlu- = Ca(HGlu)+
log_k 1.73 #52SCH/LIN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 -1.000H+ +1.000HGlu- +1.000H2O = Ca(OH)(HGlu)
log_k -10.4 #02TIT/WIE
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +1.000Th+4 -4.000H+ +2.000HGlu- +4.000H2O = CaTh(OH)4(HGlu)2
log_k -0.6 #05TIT/WIE
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +1.000CrO4-2 = CaCrO4
log_k 2.77 #00PER/PAL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +1.000Sm+3 -3.000H+ +3.000H2O = Ca(Sm(OH)3)+2
log_k -26.3 #07RAB/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000Ca+2 +1.000Sm+3 -4.000H+ +4.000H2O = Ca2(Sm(OH)4)+3
log_k -37.2 #07RAB/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000Ca+2 +1.000Sm+3 -6.000H+ +6.000H2O = Ca3(Sm(OH)6)+3
log_k -60.7 #07RAB/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +1.000Eu+3 -3.000H+ +3.000H2O = Ca(Eu(OH)3)+2
log_k -26.3 #07RAB/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+4.000Mg+2 -4.000H+ +4.000H2O = Mg4(OH)4+4
log_k -39.75 #76BAE/MES
delta_h 229.186 kJ/mol #
# Enthalpy of formation: -2782.134 kJ/mol
+1.000Mg+2 +1.000Ox-2 = Mg(Ox)
log_k 3.56 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mg+2 +2.000Ox-2 = Mg(Ox)2-2
log_k 5.17 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mg+2 +2.000H+ +1.000Cit-3 = Mg(H2Cit)+
log_k 12.45 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mg+2 +1.000H+ +1.000Cit-3 = Mg(HCit)
log_k 8.96 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mg+2 +1.000Cit-3 = Mg(Cit)-
log_k 4.81 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mg+2 +1.000Nta-3 = Mg(Nta)-
log_k 6.79 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mg+2 +1.000H+ +1.000Edta-4 = Mg(HEdta)-
log_k 15.4 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mg+2 +1.000Edta-4 = Mg(Edta)-2
log_k 10.9 #05HUM/AND
delta_h 19.8 kJ/mol #
# Enthalpy of formation: -2152 kJ/mol
+2.000Ca+2 +1.000Eu+3 -4.000H+ +4.000H2O = Ca2(Eu(OH)4)+3
log_k -37.2 #07RAB/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mg+2 +1.000B(OH)4- = MgB(OH)4+
log_k 1.6 #97CRO
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000Ca+2 +1.000Eu+3 -6.000H+ +6.000H2O = Ca3(Eu(OH)6)+3
log_k -60.7 #07RAB/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 -3.000H+ +1.000Ho+3 +3.000H2O = Ca(Ho(OH)3)+2
log_k -26.3 #07RAB/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000Ca+2 -4.000H+ +1.000Ho+3 +4.000H2O = Ca2(Ho(OH)4)+3
log_k -37.2 #07RAB/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000Ca+2 -6.000H+ +1.000Ho+3 +6.000H2O = Ca3(Ho(OH)6)+3
log_k -60.7 #07RAB/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 -3.000H+ +1.000Am+3 +3.000H2O = Ca(Am(OH)3)+2
log_k -26.3 #07RAB/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000Ca+2 -4.000H+ +1.000Am+3 +4.000H2O = Ca2(Am(OH)4)+3
log_k -37.2 #07RAB/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000Ca+2 -6.000H+ +1.000Am+3 +6.000H2O = Ca3(Am(OH)6)+3
log_k -60.7 #07RAB/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 -3.000H+ +1.000Cm+3 +3.000H2O = Ca(Cm(OH)3)+2
log_k -26.3 #07RAB/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000Ca+2 -4.000H+ +1.000Cm+3 +4.000H2O = Ca2(Cm(OH)4)+3
log_k -37.2 #07RAB/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000Ca+2 -6.000H+ +1.000Cm+3 +6.000H2O = Ca3(Cm(OH)6)+3
log_k -60.7 #07RAB/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +1.000H+ +1.000Ox-2 = Sr(HOx)+
log_k 5.8 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +1.000Ox-2 = Sr(Ox)
log_k 2.54 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +2.000H+ +2.000Ox-2 = Sr(HOx)2
log_k 10.8 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +2.000Ox-2 = Sr(Ox)2-2
log_k 3 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +2.000H+ +1.000Cit-3 = Sr(H2Cit)+
log_k 12.46 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +1.000H+ +1.000Cit-3 = Sr(HCit)
log_k 9 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +1.000Cit-3 = Sr(Cit)-
log_k 4.24 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +2.000Cit-3 = Sr(Cit)2-4
log_k 4.84 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 -1.000H+ +2.000Cit-3 +1.000H2O = Sr(Cit)2(OH)-5
log_k -1.78 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000Sr+2 -1.000H+ +1.000Cit-3 +1.000H2O = Sr2(Cit)(OH)
log_k 0.38 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +1.000Nta-3 = Sr(Nta)-
log_k 6.25 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +1.000H+ +1.000Edta-4 = Sr(HEdta)-
log_k 14.7 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +1.000Edta-4 = Sr(Edta)-2
log_k 10.3 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000K+ +1.000H+ +1.000Nta-3 = K(HNta)-
log_k 10.3 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000K+ +1.000Nta-3 = K(Nta)-2
log_k 1.3 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000K+ +1.000Edta-4 = K(Edta)-3
log_k 1.8 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000K+ +1.000Al+3 -4.000H+ +4.000H2O = KAl(OH)4
log_k -24.22 #
delta_h 211.675 kJ/mol #
# Enthalpy of formation: -1722.185 kJ/mol 97POK/HEL
+1.000K+ -2.000H+ +1.000H2(PO4)- = KPO4-2
log_k -18.26 #97MAR/SMI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000K+ +1.000H2(PO4)- = KH2PO4
log_k 0.44 #97MAR/SMI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Na+ +1.000B(OH)4- = NaB(OH)4
log_k -0.1 #
delta_h 1.226 kJ/mol #
# Enthalpy of formation: -1584.23 kJ/mol
+1.000Na+ +1.000H+ +1.000Nta-3 = Na(HNta)-
log_k 10.32 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Na+ +1.000Nta-3 = Na(Nta)-2
log_k 1.88 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Na+ +1.000Edta-4 = Na(Edta)-3
log_k 2.8 #05HUM/AND
delta_h -4 kJ/mol #
# Enthalpy of formation: -1949.14 kJ/mol
+2.000Na+ +1.000Pyrophos-4 = Na2(Pyrophos)-2
log_k 2.29 #76SMI/MAR
delta_h 5.858 kJ/mol #76SMI/MAR
# Enthalpy of formation: -2761.716 kJ/mol
+1.000Na+ -1.000H+ +1.000H4(SiO4) = NaH3SiO4
log_k -8.01 #97SVE/SHO
delta_h 7.728 kJ/mol #
# Enthalpy of formation: -1693.806 kJ/mol
+1.000Na+ -2.000H+ +1.000H2(PO4)- = NaPO4-2
log_k -18.07 #97MAR/SMI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Na+ +1.000H2(PO4)- = NaH2PO4
log_k 0.41 #97MAR/SMI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pb+2 -1.000H+ +1.000H2(PO4)- = PbHPO4
log_k -4.11 #74NRI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pb+2 +1.000H2(PO4)- = Pb(H2PO4)+
log_k 1.5 #74NRI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pb+2 -4.000H+ +4.000H2O = Pb(OH)4-2
log_k -38.9 #01PER/HEF
delta_h 197.474 kJ/mol #
# Enthalpy of formation: -944.926 kJ/mol
+1.000Co+2 +1.000SeO4-2 = Co(SeO4)
log_k 2.7 #05OLI/NOL
delta_h -3.654 kJ/mol #
# Enthalpy of formation: -664.754 kJ/mol
+1.000Co+2 -2.000H+ +2.000H2O = Co(OH)2
log_k -18.6 #98PLY/ZHA
delta_h 105.707 kJ/mol #
# Enthalpy of formation: -523.553 kJ/mol
+1.000Co+2 -3.000H+ +3.000H2O = Co(OH)3-
log_k -31.7 #98PLY/ZHA
delta_h 160.297 kJ/mol #
# Enthalpy of formation: -754.792 kJ/mol
+1.000Co+2 -4.000H+ +4.000H2O = Co(OH)4-2
log_k -46.42 #98PLY/ZHA
delta_h 214.483 kJ/mol #
# Enthalpy of formation: -986.436 kJ/mol
+1.000Co+2 -1.000H+ +1.000H2O = Co(OH)+
log_k -9.23 #98PLY/ZHA
delta_h 45.962 kJ/mol #
# Enthalpy of formation: -297.468 kJ/mol
+2.000Co+2 -1.000H+ +1.000H2O = Co2(OH)+3
log_k -9.83 #98PLY/ZHA
delta_h 30.03 kJ/mol #
# Enthalpy of formation: -371 kJ/mol 98PLY/ZHA
+4.000Co+2 -4.000H+ +4.000H2O = Co4(OH)4+4
log_k -29.88 #98PLY/ZHA
delta_h 149.72 kJ/mol #
# Enthalpy of formation: -1224 kJ/mol 98PLY/ZHA
+1.000Co+2 +1.000CO3-2 = CoCO3
log_k 4.23 #97MAR/SMI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Co+2 +1.000H+ +1.000CO3-2 = CoHCO3+
log_k 12.22 #97MAR/SMI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Co+2 -1.000H+ +1.000H2(PO4)- = CoHPO4
log_k -4.15 #97MAR/SMI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Co+2 +1.000SO4-2 = CoSO4
log_k 2.3 #97MAR/SMI
delta_h 2.092 kJ/mol #74NAU/RYZ
# Enthalpy of formation: -964.848 kJ/mol
+1.000Co+2 +1.000HS- = CoHS+
log_k 5.67 #66KHO
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Co+2 +2.000HS- = Co(HS)2
log_k 8.77 #66KHO
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Co+2 +1.000S2O3-2 = CoS2O3
log_k 2.05 #51DEN/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Co+2 +1.000F- = CoF+
log_k 1.5 #97MAR/SMI
delta_h -0.631 kJ/mol #
# Enthalpy of formation: -393.581 kJ/mol
+1.000Co+2 +1.000Cl- = CoCl+
log_k 0.57 #81TUR/WHI
delta_h -2.18 kJ/mol #
# Enthalpy of formation: -226.859 kJ/mol
+1.000Co+2 +2.000Cl- = CoCl2
log_k 0.02 #06BLA/ING
delta_h 4.074 kJ/mol #06BLA/ING
# Enthalpy of formation: -387.686 kJ/mol
+1.000Co+2 +3.000Cl- = CoCl3-
log_k -1.71 #06BLA/ING
delta_h 6.688 kJ/mol #06BLA/ING
# Enthalpy of formation: -552.152 kJ/mol
+1.000Fe+2 -1.000e- = Fe+3
log_k -13.01 #
delta_h 41 kJ/mol #
# Enthalpy of formation: -49 kJ/mol 98CHI
+1.000Fe+3 +2.000Br- = FeBr2+
log_k 0.9 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 -1.000H+ +1.000CO3-2 +1.000H2O = FeCO3OH
log_k 10.76 #05GRI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000CrO4-2 = FeCrO4+
log_k 7.8 #96BAR/PAL
delta_h 19.1 kJ/mol #96BAR/PAL
# Enthalpy of formation: -908.9 kJ/mol
+1.000Fe+3 +1.000H+ +1.000Ox-2 = Fe(HOx)+2
log_k 9.3 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000Ox-2 = Fe(Ox)+
log_k 9.53 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +2.000Ox-2 = Fe(Ox)2-
log_k 15.75 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +3.000Ox-2 = Fe(Ox)3-3
log_k 20.2 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +2.000H+ +1.000Cit-3 = Fe(H2Cit)+2
log_k 30.4 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000H+ +1.000Cit-3 = Fe(HCit)+
log_k 13.56 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000Cit-3 = Fe(Cit)
log_k 12.65 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 -1.000H+ +1.000Cit-3 +1.000H2O = Fe(Cit)(OH)-
log_k 10.33 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 -2.000H+ +1.000Cit-3 +2.000H2O = Fe(OH)2(Cit)-2
log_k 2.9 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +2.000H+ +2.000Cit-3 = Fe(HCit)2-
log_k 24.92 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000H+ +2.000Cit-3 = Fe(HCit)(Cit)-2
log_k 19.3 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +2.000Cit-3 = Fe(Cit)2-3
log_k 18.15 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 -2.000H+ +2.000Cit-3 +2.000H2O = Fe(Cit)2(OH)2-5
log_k 3.44 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000Fe+3 -2.000H+ +2.000Cit-3 +2.000H2O = Fe2(Cit)2(OH)2-2
log_k 45 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000Nta-3 = Fe(Nta)
log_k 18.6 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 -1.000H+ +1.000Nta-3 +1.000H2O = Fe(OH)(Nta)-
log_k 14.6 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 -2.000H+ +1.000Nta-3 +2.000H2O = Fe(OH)2(Nta)-2
log_k 6 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +2.000Nta-3 = Fe(Nta)2-3
log_k 27 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000H+ +1.000Edta-4 = Fe(HEdta)
log_k 29.2 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000Edta-4 = Fe(Edta)-
log_k 27.7 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 -1.000H+ +1.000Edta-4 +1.000H2O = Fe(OH)(Edta)-2
log_k 20.84 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 -2.000H+ +1.000Edta-4 +2.000H2O = Fe(OH)2(Edta)-3
log_k 10.06 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 -3.000H+ +1.000Edta-4 +3.000H2O = Fe(OH)3(Edta)-4
log_k 8.3 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000Fe+3 -2.000H+ +2.000Edta-4 +2.000H2O = Fe2(OH)2(Edta)2-4
log_k 68 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +6.000Cn- = Fe(Cn)6-3
log_k 43.6 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000NO3- = Fe(NO3)+2
log_k 0.95 #HATCHES 8.0 1996
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +2.000H+ +1.000Pyrophos-4 = FeH2Pyrophos+
log_k 26 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000H+ +1.000SO4-2 = FeHSO4+2
log_k 4.47 #90NOR/PLU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000S2O3-2 = FeS2O3+
log_k 3.9 #82SCH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000Scn- = FeScn+2
log_k 3.1 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +3.000Cl- = FeCl3
log_k 1.13 #90NOR/PLU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +4.000Cl- = FeCl4-
log_k -0.79 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000Br- = FeBr+2
log_k 0.7 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000I- = FeI+2
log_k 2.1 #96BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +3.000CO3-2 = Fe(CO3)3-3
log_k 24.24 #05GRI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 -4.000H+ +4.000H2O = Fe(OH)4-2
log_k -46 #76BAE/MES in 99CHIa
delta_h 158.797 kJ/mol #
# Enthalpy of formation: -1074.523 kJ/mol
+1.000Fe+2 -1.000H+ +1.000CO3-2 +1.000H2O = FeCO3OH-
log_k -4.03 #98KIN in 99CHIb
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +2.000CO3-2 = Fe(CO3)2-2
log_k 7.45 #98KIN in 99CHIb
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +1.000Ox-2 = Fe(Ox)
log_k 4.1 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +2.000Ox-2 = Fe(Ox)2-2
log_k 6.2 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +3.000Ox-2 = Fe(Ox)3-4
log_k 5.22 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +2.000H+ +1.000Cit-3 = Fe(H2Cit)+
log_k 24.7 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +1.000H+ +1.000Cit-3 = Fe(HCit)
log_k 10.02 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +1.000Cit-3 = Fe(Cit)-
log_k 6.1 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 -1.000H+ +1.000Cit-3 +1.000H2O = Fe(OH)(Cit)-2
log_k 1.5 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +1.000H+ +1.000Nta-3 = Fe(HNta)
log_k 12.3 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +1.000Nta-3 = Fe(Nta)-
log_k 10.6 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 -1.000H+ +1.000Nta-3 +1.000H2O = Fe(OH)(Nta)-2
log_k -0.12 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +2.000Nta-3 = Fe(Nta)2-4
log_k 13.5 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +1.000H+ +1.000Edta-4 = Fe(HEdta)-
log_k 18.3 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +1.000Edta-4 = Fe(Edta)-2
log_k 16.02 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 -1.000H+ +1.000Edta-4 +1.000H2O = Fe(OH)(Edta)-3
log_k 6.4 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 -2.000H+ +1.000Edta-4 +2.000H2O = Fe(OH)2(Edta)-4
log_k -4.4 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +1.000H+ +1.000CO3-2 = FeHCO3+
log_k 11.77 #95CHI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +6.000Cn- = Fe(Cn)6-4
log_k 35.4 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +1.000NH3 = Fe(NH3)+2
log_k 1.3 #82SCH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +2.000NH3 = Fe(NH3)2+2
log_k 2.1 #82SCH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +4.000NH3 = Fe(NH3)4+2
log_k 3.6 #82SCH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +1.000HS- = Fe(HS)+
log_k 4.34 #04CHI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +2.000HS- = Fe(HS)2
log_k 6.45 #04CHI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 -8.000H+ -3.000e- +4.000H2O = MnO4-3
log_k -113 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cu+2 +1.000e- = Cu+
log_k 2.64 #
delta_h 6.77 kJ/mol #
# Enthalpy of formation: 71.67 kJ/mol 82WAG/EVA
+1.000Cu+2 +1.000SeO4-2 = Cu(SeO4)
log_k 2.2 #Upper value suggested in 05OLI/NOL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +1.000CO3-2 = CaCO3
log_k 3.22 #96BOU
delta_h 14.83 kJ/mol #
# Enthalpy of formation: -1203.4 kJ/mol 96BOU
+1.000Ba+2 +1.000F- = BaF+
log_k 0.4 #
delta_h 6.697 kJ/mol #
# Enthalpy of formation: -863.452 kJ/mol 97SVE/SHO
+1.000Ca+2 +1.000H+ +1.000CO3-2 = Ca(HCO3)+
log_k 11.43 #96BOU
delta_h -23.597 kJ/mol #
# Enthalpy of formation: -1241.827 kJ/mol
+1.000Ca+2 +1.000SO4-2 = Ca(SO4)
log_k 2.31 #53BEL/GEO
delta_h 4.292 kJ/mol #
# Enthalpy of formation: -1448.048 kJ/mol
+1.000Ca+2 +1.000B(OH)4- = CaB(OH)4+
log_k 1.8 #97CRO
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +1.000F- = CaF+
log_k 0.94 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel
delta_h 17.238 kJ/mol #
# Enthalpy of formation: -861.112 kJ/mol
+1.000Ca+2 +1.000I- = CaI+
log_k 0.14 #estimation NEA87 08/2/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +2.000I- = CaI2
log_k -0.02 #estimation NEA87 08/2/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +1.000NH3 = Ca(NH3)+2
log_k -0.1 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +2.000NH3 = Ca(NH3)2+2
log_k -0.7 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +3.000NH3 = Ca(NH3)3+2
log_k -1.5 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +4.000NH3 = Ca(NH3)4+2
log_k -2.6 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 -1.000H+ +1.000H2(PO4)- = Ca(HPO4)
log_k -4.37 #68CHU/MAR
delta_h 17.565 kJ/mol #
# Enthalpy of formation: -1828.035 kJ/mol
+1.000Ca+2 -2.000H+ +1.000H2(PO4)- = Ca(PO4)-
log_k -13.11 #68CHU/MAR
delta_h 38.532 kJ/mol #
# Enthalpy of formation: -1807.068 kJ/mol
+1.000Ca+2 +1.000H2(PO4)- = Ca(H2PO4)+
log_k 1.5 #68CHU/MAR
delta_h 7.777 kJ/mol #
# Enthalpy of formation: -1837.823 kJ/mol
+1.000Ca+2 +1.000Pyrophos-4 = Ca(Pyrophos)-2
log_k 7.5 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +1.000H+ +1.000Pyrophos-4 = Ca(HPyrophos)-
log_k 13.8 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 +1.000S2O3-2 = Cd(S2O3)
log_k 2.46 #
delta_h 5.405 kJ/mol #
# Enthalpy of formation: -722.801 kJ/mol 74NAU/RYZ
+1.000Cd+2 -1.000H+ -2.000e- +1.000Cn- +1.000HSe- = Cd(SeCn)+
log_k 15.27 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 -2.000H+ -4.000e- +2.000Cn- +2.000HSe- = Cd(SeCn)2
log_k 29.39 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 -3.000H+ -6.000e- +3.000Cn- +3.000HSe- = Cd(SeCn)3-
log_k 42.89 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 -4.000H+ -8.000e- +4.000Cn- +4.000HSe- = Cd(SeCn)4-2
log_k 56.71 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 +2.000HS- = Cd(HS)2
log_k 14.43 #99WAN/TES
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 +1.000HS- = CdHS+
log_k 7.38 #99WAN/TES
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 -1.000H+ +1.000H2(PO4)- = CdHPO4
log_k -2.38 #01AYA/MAD
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 -1.000H+ +1.000H4(SiO4) = Ca(H3SiO4)+
log_k -8.83 #97SVE/SHO
delta_h 31.633 kJ/mol #
# Enthalpy of formation: -1972.561 kJ/mol
+1.000Ca+2 +1.000S2O3-2 = Ca(S2O3)
log_k 1.9 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de Hatches3.0)
#delta_h kJ/mol #
# Enthalpy of formation: -1191.5 kJ/mol
+1.000Cd+2 +1.000SeO4-2 = Cd(SeO4)
log_k 2.27 #05OLI/NOL
delta_h 8.3 kJ/mol #05OLI/NOL
# Enthalpy of formation: -671.12 kJ/mol
+1.000Zn+2 -1.000H+ -2.000e- +1.000Cn- +1.000HSe- = Zn(SeCn)+
log_k 14.24 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Zn+2 -2.000H+ -4.000e- +2.000Cn- +2.000HSe- = Zn(SeCn)2
log_k 27.73 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +1.000Pyrophos-4 = Ni(Pyrophos)-2
log_k 8.73 #05GAM/BUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +1.000H+ +1.000Pyrophos-4 = NiHPyrophos-
log_k 14.54 #05GAM/BUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 -3.000H+ +1.000H2(PO4)- +2.000H2O = Ni(OH)2(HPO4)-2
log_k -23.24 #95LEM
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +1.000Cl- = NiCl+
log_k 0.08 #05GAM/BUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +1.000Ox-2 = Ni(Ox)
log_k 5.19 #05HUM/AND
delta_h 0 kJ/mol #
# Enthalpy of formation: -885.672 kJ/mol
+1.000Ni+2 +2.000Ox-2 = Ni(Ox)2-2
log_k 7.64 #05HUM/AND
delta_h -7.8 kJ/mol #
# Enthalpy of formation: -1724.132 kJ/mol
+1.000Ni+2 +2.000H+ +1.000Cit-3 = Ni(H2Cit)+
log_k 13.19 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +1.000H+ +1.000Cit-3 = Ni(HCit)
log_k 10.52 #05HUM/BER
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +1.000Cit-3 = Ni(Cit)-
log_k 6.76 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +2.000Cit-3 = Ni(Cit)2-4
log_k 8.5 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +1.000Nta-3 = Ni(Nta)-
log_k 12.75 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +2.000Nta-3 = Ni(Nta)2-4
log_k 16.95 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 -1.000H+ +1.000Nta-3 +1.000H2O = Ni(OH)(Nta)-2
log_k 1.47 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +1.000H+ +1.000Edta-4 = Ni(HEdta)-
log_k 24.2 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +1.000Edta-4 = Ni(Edta)-2
log_k 20.54 #05HUM/AND
delta_h -26.1 kJ/mol #
# Enthalpy of formation: -1785.912 kJ/mol
+1.000Ni+2 +1.000NH3 = Ni(NH3)+2
log_k 2.61 #70LET/ROC in 82HOG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +2.000NH3 = Ni(NH3)2+2
log_k 4.76 #70LET/ROC in 82HOG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +3.000NH3 = Ni(NH3)3+2
log_k 6.79 #70LET/ROC in 82HOG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +4.000NH3 = Ni(NH3)4+2
log_k 8.34 #70LET/ROC in 82HOG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +1.000S2O3-2 = Ni(S2O3)
log_k 2.06 #51DEU/HEI in 64SIL/MAR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +1.000HS- = NiHS+
log_k 5.5 #02HUM/BER
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +2.000HS- = Ni(HS)2
log_k 11.1 #02HUM/BER
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +4.000Cn- = Ni(Cn)4-2
log_k 30.2 #
delta_h -180.7 kJ/mol #05GAM/BUG
# Enthalpy of formation: 353.688 kJ/mol
+1.000Ni+2 +5.000Cn- = Ni(Cn)5-3
log_k 28.5 #
delta_h -191.1 kJ/mol #05GAM/BUG
# Enthalpy of formation: 490.638 kJ/mol
+1.000Ni+2 +1.000Scn- = Ni(Scn)+
log_k 1.81 #
delta_h -11.8 kJ/mol #05GAM/BUG
# Enthalpy of formation: 9.588 kJ/mol
+1.000Ni+2 +2.000Scn- = Ni(Scn)2
log_k 2.69 #
delta_h -21 kJ/mol #05GAM/BUG
# Enthalpy of formation: 76.788 kJ/mol
+1.000Ni+2 +3.000Scn- = Ni(Scn)3-
log_k 3.02 #
delta_h -29 kJ/mol #05GAM/BUG
# Enthalpy of formation: 145.188 kJ/mol
+1.000Ni+2 +1.000H+ +1.000AsO4-3 = NiHAsO4
log_k 14.5 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 -1.000H+ +1.000H2O = Ca(OH)+
log_k -12.78 #87GAR/PAR
delta_h 77.206 kJ/mol #
# Enthalpy of formation: -751.624 kJ/mol
+1.000Ca+2 +1.000IO3- = Ca(IO3)+
log_k 0.4 #estimation NEA87 08/2/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mg+2 +1.000CO3-2 = Mg(CO3)
log_k 2.98 #97SVE/SHO
delta_h 8.804 kJ/mol #
# Enthalpy of formation: -1133.426 kJ/mol
+1.000Mg+2 +1.000H+ +1.000CO3-2 = Mg(HCO3)+
log_k 11.37 #95SHO/KOR
delta_h -12.859 kJ/mol #
# Enthalpy of formation: -1155.089 kJ/mol
+1.000Mg+2 +1.000SO4-2 = Mg(SO4)
log_k 2.23 #76SMI/MAR
delta_h 5.858 kJ/mol #76SMI/MAR
# Enthalpy of formation: -1370.482 kJ/mol
+1.000Mg+2 +1.000F- = MgF+
log_k 1.8 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel
delta_h 13.389 kJ/mol #
# Enthalpy of formation: -788.961 kJ/mol
+1.000Mg+2 +1.000I- = MgI+
log_k 0.18 #estimation NEA87 08/2/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mg+2 +1.000NH3 = Mg(NH3)+2
log_k 0.1 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
#delta_h kJ/mol #
# Enthalpy of formation: -548.148 kJ/mol
+2.000Hg+2 +2.000e- = Hg2+2
log_k 30.79 #
delta_h -173.55 kJ/mol #
# Enthalpy of formation: 166.87 kJ/mol 01LEM/FUG
+1.000Hg+2 -1.000H+ +1.000HSe- = HgSe
log_k 37.59 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Hg+2 -2.000H+ +2.000HSe- = HgSe2-2
log_k 32.63 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mg+2 +3.000NH3 = Mg(NH3)3+2
log_k -0.3 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
#delta_h kJ/mol #
# Enthalpy of formation: -710.444 kJ/mol
+1.000Mg+2 +4.000NH3 = Mg(NH3)4+2
log_k -1 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
#delta_h kJ/mol #
# Enthalpy of formation: -791.592 kJ/mol
+1.000Mg+2 -2.000H+ +1.000H2(PO4)- = Mg(PO4)-
log_k -14.71 #81TUR/WHI
delta_h 31.17 kJ/mol #96BOU
# Enthalpy of formation: -1738.43 kJ/mol
+1.000Mg+2 -1.000H+ +1.000H2(PO4)- = Mg(HPO4)
log_k -4.3 #76SMI/MAR
delta_h 16.152 kJ/mol #76SMI/MAR
# Enthalpy of formation: -1753.448 kJ/mol
+1.000Mg+2 +1.000H2(PO4)- = Mg(H2PO4)+
log_k 1.17 #81TUR/WHI
delta_h 13.514 kJ/mol #96BOU
# Enthalpy of formation: -1756.086 kJ/mol
+1.000Mg+2 +1.000Pyrophos-4 = Mg(Pyrophos)-2
log_k 7.2 #76SMI/MAR
delta_h 12.542 kJ/mol #
# Enthalpy of formation: -2741.352 kJ/mol
+1.000Mg+2 +1.000S2O3-2 = Mg(S2O3)
log_k 1.82 #76SMI/MAR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pb+2 +2.000I- = PbI2
log_k 3.15 #82HÖG
delta_h 7.106 kJ/mol #
# Enthalpy of formation: -105.534 kJ/mol
+1.000Pb+2 +1.000F- = PbF+
log_k 2.27 #99LOT/OCH
delta_h -4.054 kJ/mol #
# Enthalpy of formation: -338.484 kJ/mol
+1.000Pb+2 +2.000F- = PbF2
log_k 3.01 #99LOT/OCH
delta_h -8.881 kJ/mol #
# Enthalpy of formation: -678.661 kJ/mol
+1.000Pb+2 +2.000HS- = Pb(HS)2
log_k 15.01 #06BLA/PIA
delta_h -65.579 kJ/mol #
# Enthalpy of formation: -97.259 kJ/mol
+1.000Pb+2 +3.000HS- = Pb(HS)3-
log_k 16.26 #06BLA/PIA
delta_h -73.328 kJ/mol #
# Enthalpy of formation: -121.308 kJ/mol
+1.000Pb+2 +1.000Pyrophos-4 = PbPyrophos-2
log_k 8.33 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Co+2 +4.000Cl- = CoCl4-2
log_k -2.09 #06BLA/ING
delta_h 22.57 kJ/mol #06BLA/ING
# Enthalpy of formation: -703.35 kJ/mol
+1.000Mg+2 +1.000IO3- = Mg(IO3)+
log_k 0.7 #estimation NEA87 08/2/95 ;
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mg+2 -1.000H+ +1.000H2O = Mg(OH)+
log_k -11.68 #97SHO/SAS
delta_h 62.835 kJ/mol #
# Enthalpy of formation: -689.995 kJ/mol
+1.000Sr+2 -1.000H+ +1.000H2(PO4)- = Sr(HPO4)
log_k -4.7 #97MAR/SMI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +1.000H2(PO4)- = Sr(H2PO4)+
log_k 0.83 #97MAR/SMI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 -2.000H+ +1.000H2(PO4)- = Sr(PO4)-
log_k -13.56 #96BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +1.000Pyrophos-4 = Sr(Pyrophos)-2
log_k 5.4 #76SMI/MAR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +1.000S2O3-2 = Sr(S2O3)
log_k 2.04 #76SMI/MAR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ag+ -2.000H+ +2.000H2O = Ag(OH)2-
log_k -24 #76BAE/MES
delta_h 111.634 kJ/mol #
# Enthalpy of formation: -354.236 kJ/mol
+1.000Ag+ +2.000CO3-2 = Ag(CO3)2-3
log_k 2.16 #97SVE/SHO
delta_h -28.044 kJ/mol #
# Enthalpy of formation: -1272.714 kJ/mol
+1.000Ag+ +1.000CO3-2 = AgCO3-
log_k 2.69 #97SVE/SHO
delta_h -22.832 kJ/mol #
# Enthalpy of formation: -592.272 kJ/mol
+1.000Ag+ +1.000NO3- = AgNO3
log_k -0.29 #91BAL/NOR, 68WAG
delta_h -0.74 kJ/mol #
# Enthalpy of formation: -101.8 kJ/mol 82WAG/EVA
+1.000Ag+ +4.000Cl- = AgCl4-3
log_k 5.51 #91BAL/NOR
delta_h -26.094 kJ/mol #
# Enthalpy of formation: -588.624 kJ/mol
+1.000Sr+2 -1.000H+ +1.000H2O = Sr(OH)+
log_k -13.29 #76BAE/MES
delta_h 82.609 kJ/mol #
# Enthalpy of formation: -754.12 kJ/mol
+1.000Sr+2 +1.000CO3-2 = Sr(CO3)
log_k 2.81 #84BUS/PLU
delta_h 21.824 kJ/mol #
# Enthalpy of formation: -1204.306 kJ/mol
+1.000Sr+2 +1.000H+ +1.000CO3-2 = Sr(HCO3)+
log_k 11.51 #84BUS/PLUS
delta_h 10.598 kJ/mol #
# Enthalpy of formation: -1215.533 kJ/mol
+1.000Sr+2 +1.000SO4-2 = Sr(SO4)
log_k 2.3 #06BLA/ING
delta_h 7.029 kJ/mol #06BLA/ING
# Enthalpy of formation: -1453.211 kJ/mol
+1.000Sr+2 +1.000Cl- = SrCl+
log_k 0.23 #96BOU
delta_h 4.924 kJ/mol #
# Enthalpy of formation: -713.054 kJ/mol
+1.000Sr+2 +1.000F- = SrF+
log_k 0.3 #
delta_h 16.74 kJ/mol #
# Enthalpy of formation: -869.51 kJ/mol
+1.000Sr+2 +2.000F- = SrF2
log_k 2.02 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +1.000I- = SrI+
log_k 0.14 #estimation NEA87 01/02/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +2.000I- = SrI2
log_k -0.04 #estimation NEA87 01/02/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +1.000NH3 = Sr(NH3)+2
log_k -0.55 #estimation NEA87 08/02/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +1.000NO3- = Sr(NO3)+
log_k 0.6 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +2.000NO3- = Sr(NO3)2
log_k 0.31 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +1.000IO3- = Sr(IO3)+
log_k 0.33 #estimation NEA87 01/02/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +2.000IO3- = Sr(IO3)2
log_k -0.55 #estimation NEA87 01/02/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +1.000Cn- = Sr(Cn)+
log_k 0.71 #estimation NEA87 08/02/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +2.000Cn- = Sr(Cn)2
log_k 0.2 #estimation NEA87 08/02/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000K+ +1.000I- = KI
log_k -1.57 #estimation NEA87 08/2/95
delta_h 9.011 kJ/mol #
# Enthalpy of formation: -299.909 kJ/mol
+1.000K+ -1.000H+ +1.000H2(PO4)- = K(HPO4)-
log_k -6.4 #97MAR/SMI
delta_h 31.589 kJ/mol #97MAR/SMI
# Enthalpy of formation: -1523.151 kJ/mol
+1.000K+ +1.000Pyrophos-4 = K(Pyrophos)-3
log_k 2.1 #76MAR/SMI
delta_h 7.113 kJ/mol #76MAR/SMI
# Enthalpy of formation: -2531.921 kJ/mol
+1.000K+ +1.000IO3- = K(IO3)
log_k 0.02 #estimation NEA87 08/2/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Na+ +1.000CO3-2 = Na(CO3)-
log_k 1.27 #90NOR/PLU
delta_h 37.279 kJ/mol #90NOR/PLU
# Enthalpy of formation: -878.291 kJ/mol
+1.000Mg+2 +1.000Cl- = MgCl+
log_k 0.35 #96BOU
delta_h -1.729 kJ/mol #
# Enthalpy of formation: -635.809 kJ/mol
+1.000Na+ +1.000I- = NaI
log_k -1.52 #estimation NEA87 08/2/95
delta_h 7.252 kJ/mol #
# Enthalpy of formation: -289.868 kJ/mol
+1.000Al+3 +1.000Ox-2 = Al(Ox)+
log_k 9.4 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 +2.000Ox-2 = Al(Ox)2-
log_k 15.39 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 +3.000Ox-2 = Al(Ox)3-3
log_k 18.3 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000Al+3 -2.000H+ +4.000Ox-2 +2.000H2O = Al2(Ox)4(OH)2-4
log_k -6 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000Al+3 -3.000H+ +3.000Ox-2 +3.000H2O = Al3(Ox)3(OH)3
log_k 16 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+4.000Al+3 -4.000H+ +4.000Ox-2 +4.000H2O = Al4(Ox)4(OH)4
log_k 21 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 +1.000H+ +1.000Cit-3 = Al(HCit)+
log_k 12.9 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 +1.000Cit-3 = Al(Cit)
log_k 9.9 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 -1.000H+ +1.000Cit-3 +1.000H2O = Al(OH)(Cit)-
log_k 8.1 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 +2.000Cit-3 = Al(Cit)2-3
log_k 14.13 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 -1.000H+ +2.000Cit-3 +1.000H2O = Al(Cit)2(OH)-4
log_k 10.19 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000Al+3 -4.000H+ +3.000Cit-3 +4.000H2O = Al3(Cit)3(OH)4-4
log_k 20.6 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 +1.000Nta-3 = Al(Nta)
log_k 13.23 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 +1.000H+ +1.000Nta-3 = Al(HNta)+
log_k 15.13 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 -1.000H+ +1.000Nta-3 +1.000H2O = Al(OH)(Nta)-
log_k 6.79 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 -2.000H+ +1.000Nta-3 +2.000H2O = Al(Nta)(OH)2-2
log_k -0.3 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 +2.000Nta-3 = Al(Nta)2-3
log_k 20.8 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 +1.000H+ +1.000Edta-4 = Al(HEdta)
log_k 21.82 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 +1.000Edta-4 = Al(Edta)-
log_k 19.08 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 -1.000H+ +1.000Edta-4 +1.000H2O = Al(OH)(Edta)-2
log_k 13 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Na+ +1.000S2O3-2 = Na(S2O3)-
log_k 0.61 #
delta_h 4.656 kJ/mol #
# Enthalpy of formation: -887.97 kJ/mol 82WAG/EVA
+1.000Al+3 -2.000H+ +1.000Edta-4 +2.000H2O = Al(OH)2(Edta)-3
log_k 2.3 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 -2.000H+ +1.000F- +2.000H2O = Al(OH)2F
log_k -4.21 #
delta_h 118.636 kJ/mol #
# Enthalpy of formation: -1326.774 kJ/mol 01TAG/SCH
+1.000Al+3 -2.000H+ +2.000F- +2.000H2O = Al(OH)2F2-
log_k -1.99 #
delta_h 134.839 kJ/mol #
# Enthalpy of formation: -1645.921 kJ/mol 01TAG/SCH
+1.000Al+3 -1.000H+ +1.000H4(SiO4) = AlH3SiO4+2
log_k -2.38 #01TAG/SCH
delta_h 77.389 kJ/mol #
# Enthalpy of formation: -1922.205 kJ/mol
+1.000Al+3 -1.000H+ +2.000F- +1.000H2O = AlOHF2
log_k 0.21 #
delta_h 139.337 kJ/mol #
# Enthalpy of formation: -1355.593 kJ/mol 01TAG/SCH
+1.000Na+ +1.000Al+3 -4.000H+ +4.000H2O = NaAl(OH)4
log_k -23.63 #
delta_h 190.348 kJ/mol #
# Enthalpy of formation: -1731.712 kJ/mol 95POK/HEL
+1.000Al+3 +1.000H+ +1.000Ox-2 = Al(HOx)+2
log_k 7.5 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Na+ +1.000IO3- = Na(IO3)
log_k 0.06 #estimation NEA87 08/2/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000SO4-2 = Fe(SO4)+
log_k 4.1 #95BOU in 98CHI
delta_h 16.359 kJ/mol #
# Enthalpy of formation: -941.981 kJ/mol
+1.000Fe+3 +1.000Cl- = FeCl+2
log_k 1.4 #95BOU in 98CHI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +2.000Cl- = FeCl2+
log_k 2.1 #95BOU in 98CHI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mg+2 -1.000H+ +1.000H4(SiO4) = Mg(H3SiO4)+
log_k -8.58 #97SVE/SHO
delta_h 27.114 kJ/mol #
# Enthalpy of formation: -1901.08 kJ/mol
+1.000Cs+ +1.000Cit-3 = Cs(Cit)-2
log_k 0.98 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mg+2 +1.000Br- = MgBr+
log_k -0.14 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cs+ +1.000Edta-4 = Cs(Edta)-3
log_k 1.3 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cs+ +1.000Nta-3 = Cs(Nta)-2
log_k 0.85 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cs+ +1.000Br- = CsBr
log_k 0.09 #
delta_h 5.922 kJ/mol #
# Enthalpy of formation: -373.488 kJ/mol
+1.000Mg+2 +1.000SeO4-2 = Mg(SeO4)
log_k 2.2 #05OLI/NOL
delta_h -6.614 kJ/mol #
# Enthalpy of formation: -1077.114 kJ/mol
+1.000NpO2+2 -2.000H+ +2.000H2(PO4)- = NpO2(HPO4)2-2
log_k -4.92 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NpO2+2 +1.000Nta-3 = NpO2(Nta)-
log_k 11 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NpO2+2 +1.000H2(PO4)- = NpO2H2PO4+
log_k 3.32 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000NpO2+2 -5.000H+ +5.000H2O = (NpO2)3(OH)5+
log_k -17.12 #01LEM/FUG
delta_h 110.667 kJ/mol #
# Enthalpy of formation: -3900.682 kJ/mol
+1.000TcO(OH)2 +1.000H+ +1.000Nta-3 -1.000H2O = TcO(OH)(Nta)-2
log_k 13.3 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000TcO(OH)2 +1.000H+ +1.000CO3-2 = Tc(OH)3CO3-
log_k 10.96 #99RAR/RAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000TcO(OH)2 +2.000H+ -2.000H2O = TcO+2
log_k 2.58 #97NGU/LAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000TcO(OH)2 +1.000H+ +2.000Nta-3 -1.000H2O = TcO(OH)(Nta)2-5
log_k 11.7 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000TcO(OH)2 +1.000H+ +1.000Edta-4 -1.000H2O = TcO(OH)(Edta)-3
log_k 19 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000TcO(OH)2 -4.000H+ -3.000e- +1.000H2O = TcO4-
log_k -29.43 #
delta_h 305.75 kJ/mol #
# Enthalpy of formation: -729.4 kJ/mol 99RAR/RAN
+1.000Eu+3 +3.000CO3-2 = Eu(CO3)3-3
log_k 14.8 #05VER/VIT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Eu+3 +1.000e- = Eu+2
log_k -5.97 #
delta_h 77.729 kJ/mol #
# Enthalpy of formation: -527.602 kJ/mol 92JOH/OEL
+1.000Eu+3 -1.000H+ +1.000H4(SiO4) = EuSiO(OH)3+2
log_k -2.62 #Original data 07THA/SIN and 96JEN/CHO
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Eu+3 +1.000NO3- = Eu(NO3)+2
log_k 0.8 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Eu+3 +3.000F- = EuF3
log_k 10.6 #95SPA/BRU
delta_h -8.343 kJ/mol #
# Enthalpy of formation: -1619.724 kJ/mol
+1.000Ba+2 +1.000CO3-2 = Ba(CO3)
log_k 2.71 #86BUS/PLU
delta_h 14.841 kJ/mol #86BUS/PLU
# Enthalpy of formation: -1195.189 kJ/mol
+1.000Ba+2 +1.000SO4-2 = Ba(SO4)
log_k 2.7 #76SMI/MAR
delta_h 7.367 kJ/mol #
# Enthalpy of formation: -1436.773 kJ/mol
+1.000Fe+3 +1.000F- = FeF+2
log_k 6.13 #92PEA/BER in 98CHI
delta_h 11.297 kJ/mol #
# Enthalpy of formation: -373.053 kJ/mol
+1.000Fe+3 +2.000F- = FeF2+
log_k 10.8 #92PEA/BER in 98CHI
delta_h 19.665 kJ/mol #
# Enthalpy of formation: -700.035 kJ/mol
+1.000Mg+2 +2.000I- = MgI2
log_k 0.03 #estimation NEA87 08/2/95 ;
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +3.000F- = FeF3
log_k 14 #92PEA/BER in 98CHI
delta_h 22.595 kJ/mol #
# Enthalpy of formation: -1032.455 kJ/mol
+1.000Fe+3 -1.000H+ +1.000H2(PO4)- = Fe(HPO4)+
log_k 1.63 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000H2(PO4)- = Fe(H2PO4)+2
log_k 5.42 #USGS original
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 -1.000H+ +1.000H4(SiO4) = Fe(H3SiO4)+2
log_k 0.36 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +1.000Ox-2 = Sn(Ox)
log_k 6.5 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +1.000H+ +1.000CO3-2 = SnHCO3+
log_k 14.9 #87BRO/WAN estimated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +2.000Ox-2 = Sn(Ox)2-2
log_k 12.9 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 -1.000H+ +1.000Cl- +1.000H2O = Sn(OH)Cl
log_k -3.1 #52VAN/RHO recalculated in 02HUM/BER
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +3.000Ox-2 = Sn(Ox)3-4
log_k 17.1 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +1.000Cit-3 = Sn(Cit)-
log_k 8.7 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +2.000Cit-3 = Sn(Cit)2-4
log_k 11.9 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +1.000Nta-3 = Sn(Nta)-
log_k 13.4 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +2.000H+ +1.000Edta-4 = Sn(H2Edta)
log_k 24.3 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +1.000H+ +1.000Edta-4 = Sn(HEdta)-
log_k 23.4 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +1.000Edta-4 = Sn(Edta)-2
log_k 24.6 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +2.000CO3-2 = Sn(CO3)2-2
log_k 17.85 #87BRO/WAN estimated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +1.000CO3-2 = Sn(CO3)
log_k 9.72 #87BRO/WAN estimated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 -1.000H+ +1.000H2(PO4)- = SnHPO4
log_k 2.29 #00CIA/MUL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 -2.000H+ +1.000H2(PO4)- = SnPO4-
log_k -1.56 #00CIA/MUL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +4.000Cl- = SnCl4-2
log_k 3.33 #62HAI/ZOL in 99LOT/OCH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000H+ +1.000SeO3-2 = Fe(HSeO3)+2
log_k 12.35 #01SEB/POT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 -1.000H+ +1.000H2O = Fe(OH)+2
log_k -2.19 #76BAE/MES in 98CHI
delta_h 43.514 kJ/mol #
# Enthalpy of formation: -291.316 kJ/mol
+1.000Fe+3 -2.000H+ +2.000H2O = Fe(OH)2+
log_k -5.67 #76BAE/MES in 98CHI
delta_h 71.546 kJ/mol #
# Enthalpy of formation: -549.114 kJ/mol
+1.000Fe+3 -3.000H+ +3.000H2O = Fe(OH)3
log_k -12.56 #91PEA/VER in 98CHI
delta_h 103.764 kJ/mol #
# Enthalpy of formation: -802.726 kJ/mol
+1.000Fe+3 -4.000H+ +4.000H2O = Fe(OH)4-
log_k -21.6 #76BAE/MES in 76CHI
delta_h 133.471 kJ/mol #
# Enthalpy of formation: -1058.849 kJ/mol
+1.000Sn+4 +4.000CO3-2 = Sn(CO3)4-4
log_k 38.14 #87BRO/WAN estimated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+4 +5.000CO3-2 = Sn(CO3)5-6
log_k 44.47 #87BRO/WAN estimated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+4 +2.000Cl- = SnCl2+2
log_k 10.22 #78FAT/ROU recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+4 +3.000Cl- = SnCl3+
log_k 13.62 #78FAT/ROU recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+4 +4.000Cl- = SnCl4
log_k 14.85 #78FAT/ROU recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+4 +5.000Cl- = SnCl5-
log_k 16.6 #78FAT/ROU recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+4 +6.000Cl- = SnCl6-2
log_k 17.24 #78FAT/ROU recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000Fe+3 -2.000H+ +2.000H2O = Fe2(OH)2+4
log_k -2.95 #91PEA/BER in 98CHI
delta_h 56.484 kJ/mol #
# Enthalpy of formation: -613.175 kJ/mol
+1.000Fe+2 +1.000Cl- = FeCl+
log_k 0.14 #91PEA/BER in 98CHI
delta_h -0.078 kJ/mol #
# Enthalpy of formation: -257.158 kJ/mol
+1.000Fe+2 -1.000H+ +1.000H2(PO4)- = Fe(HPO4)
log_k -3.61 #USGS original
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +1.000H2(PO4)- = Fe(H2PO4)+
log_k 2.69 #USGS original
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +1.000H+ +1.000Ox-2 = Th(HOx)+3
log_k 11 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +1.000Ox-2 = Th(Ox)+2
log_k 9.8 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +2.000H+ +2.000Ox-2 = Th(HOx)2+2
log_k 18.13 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +2.000Ox-2 = Th(Ox)2
log_k 17.5 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +3.000Ox-2 = Th(Ox)3-2
log_k 26.4 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +4.000Ox-2 = Th(Ox)4-4
log_k 29.6 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +4.000H+ +4.000Ox-2 = Th(HOx)4
log_k 24.3 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000Th+4 -1.000H+ +1.000Ox-2 +1.000H2O = Th2(Ox)(OH)+5
log_k 26.24 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +1.000Cit-3 = Th(Cit)+
log_k 16.8 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +2.000Cit-3 = Th(Cit)2-2
log_k 25.8 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +1.000Nta-3 = Th(Nta)+
log_k 17.15 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 -1.000H+ +1.000Nta-3 +1.000H2O = Th(OH)(Nta)
log_k 25.2 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 -2.000H+ +1.000Nta-3 +2.000H2O = Th(OH)2(Nta)-
log_k 35.2 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +1.000H+ +1.000Edta-4 = Th(HEdta)+
log_k 28.7 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +1.000Edta-4 = Th(Edta)
log_k 26.95 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 -1.000H+ +1.000Edta-4 +1.000H2O = Th(OH)(Edta)-
log_k 19.5 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+4.000Th+4 -12.000H+ +12.000H2O = Th4(OH)12+4
log_k -26.6 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +3.000SO4-2 = Th(SO4)3-2
log_k 10.75 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 -1.000H+ +4.000CO3-2 +1.000H2O = Th(OH)(CO3)4-5
log_k 21.6 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 -2.000H+ +1.000CO3-2 +2.000H2O = Th(OH)2(CO3)
log_k 2.5 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 -2.000H+ +2.000CO3-2 +2.000H2O = Th(OH)2(CO3)2-2
log_k 8.8 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 -4.000H+ +1.000CO3-2 +4.000H2O = Th(OH)4(CO3)-2
log_k -15.6 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 -3.000H+ +1.000HIsa- +3.000H2O = Th(OH)3(HIsa)
log_k -5.65 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 -3.000H+ +2.000HIsa- +3.000H2O = Th(OH)3(HIsa)2-
log_k -3.5 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 -4.000H+ +1.000HIsa- +4.000H2O = Th(OH)4(HIsa)-
log_k -11.4 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 -4.000H+ +2.000HIsa- +4.000H2O = Th(OH)4(HIsa)2-2
log_k -11.4 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ca+2 +1.000Th+4 -4.000H+ +2.000HIsa- +4.000H2O = CaTh(OH)4(HIsa)2
log_k -3.6 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 -3.000H+ +1.000HGlu- +3.000H2O = Th(OH)3(HGlu)
log_k -6.7 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 -4.000H+ +1.000HGlu- +4.000H2O = Th(OH)4(HGlu)-
log_k -13.2 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 -5.000H+ +1.000HGlu- +4.000H2O = Th(OH)4(Glu)-2
log_k -22.4 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000Th+4 -2.000H+ +2.000Edta-4 +2.000H2O = (Th(OH)(Edta))2-2
log_k 43.7 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 -1.000H+ +1.000H4(SiO4) = UO2SiO(OH)3+
log_k -1.84 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000UO2+2 +2.000Cit-3 = (UO2)2(Cit)2-2
log_k 21.3 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+11.000UO2+2 -12.000H+ +6.000CO3-2 +12.000H2O = (UO2)11(CO3)6(OH)12-2
log_k 36.43 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 -6.000H+ -6.000e- +1.000Br- +3.000H2O = UO2BrO3+
log_k -145.54 #92GRE/FUG
delta_h 912.3 kJ/mol #
# Enthalpy of formation: -1085.6 kJ/mol
+1.000UO2+2 -6.000H+ -6.000e- +1.000Cl- +3.000H2O = UO2ClO3+
log_k -145.74 #92GRE/FUG
delta_h 916.67 kJ/mol #92GRE/FUG
# Enthalpy of formation: -1126.9 kJ/mol
+1.000UO2+2 +1.000Ox-2 = UO2(Ox)
log_k 7.13 #05HUM/AND
delta_h 25.36 kJ/mol #
# Enthalpy of formation: -1824.3 kJ/mol 05HUM/AND
+1.000UO2+2 +2.000Ox-2 = UO2(Ox)2-2
log_k 11.65 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 +3.000Ox-2 = UO2(Ox)3-4
log_k 13.8 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 +1.000H+ +1.000Cit-3 = UO2(HCit)
log_k 11.36 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 +1.000Cit-3 = UO2(Cit)-
log_k 8.96 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 +1.000H+ +1.000Nta-3 = UO2(HNta)
log_k 9 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 +1.000Nta-3 = UO2(Nta)-
log_k 10.8 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 +1.000H+ +1.000Edta-4 = UO2(HEdta)-
log_k 19.61 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 +1.000Edta-4 = UO2(Edta)-2
log_k 13.7 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000UO2+2 +1.000Edta-4 = (UO2)2(Edta)
log_k 20.6 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 +3.000SO4-2 = UO2(SO4)3-4
log_k 3.02 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 +2.000SeO4-2 = UO2(SeO4)2-2
log_k 3.1 #99DJO/PIZ recalculated in 05OLI/NOL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 -6.000H+ -6.000e- +1.000I- +3.000H2O = UO2IO3+
log_k -109.56 #92GRE/FUG
delta_h 704.37 kJ/mol #
# Enthalpy of formation: -1228.9 kJ/mol
+1.000UO2+2 -12.000H+ -12.000e- +2.000I- +6.000H2O = UO2(IO3)2
log_k -219.54 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 +1.000HIsa- = UO2(HIsa)+
log_k 3.7 #04RAO/GAR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 +2.000HIsa- = UO2(HIsa)2
log_k 6.6 #04RAO/GAR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 +3.000HIsa- = UO2(HIsa)3-
log_k 8.5 #04RAO/GAR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 -4.000H+ +1.000HIsa- +4.000H2O = UO2(OH)4(HIsa)-3
log_k -28.1 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 -1.000H+ +1.000H2O = Fe(OH)+
log_k -9.5 #76BAE/MES in 99CHIa
delta_h 55.304 kJ/mol #
# Enthalpy of formation: -320.526 kJ/mol
+1.000Fe+2 +1.000SeO4-2 = Fe(SeO4)
log_k 2.71 #01SEB/POT
delta_h -12.601 kJ/mol #
# Enthalpy of formation: -706.101 kJ/mol
+1.000Mn+2 +1.000H+ +1.000CO3-2 = Mn(HCO3)+
log_k 11.61 #95CHI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +1.000SO4-2 = Mn(SO4)
log_k 2.25 #95CHI
delta_h 14.1 kJ/mol #
# Enthalpy of formation: -1115.99 kJ/mol
+1.000Mn+2 +1.000Cl- = MnCl+
log_k 0.3 #
delta_h 18.466 kJ/mol #
# Enthalpy of formation: -369.364 kJ/mol
+1.000Mn+2 +2.000Cl- = MnCl2
log_k 0.25 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +3.000Cl- = MnCl3-
log_k -0.31 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +1.000I- = MnI+
log_k 0.23 #estimation NEA87 08/2/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +1.000NH3 = Mn(NH3)+2
log_k 0.7 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +2.000NH3 = Mn(NH3)2+2
log_k 1.2 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 -1.000H+ +1.000H2(PO4)- = Mn(HPO4)
log_k -3.26 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +1.000Pyrophos-4 = Mn(Pyrophos)-2
log_k 6 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +1.000S2O3-2 = Mn(S2O3)
log_k 1.9 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000PuO2+2 +1.000NO3- = PuO2NO3+
log_k 0.3 #In analogy to U
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000PuO2+2 +1.000Ox-2 = PuO2(Ox)
log_k 7 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000PuO2+2 +2.000Ox-2 = PuO2(Ox)2-2
log_k 10.5 #73POR/PAO in 96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000PuO2+2 +1.000Nta-3 = PuO2(Nta)-
log_k 11 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000PuO2+ -1.000H+ +1.000H2O = PuO2OH
log_k -11.3 #01LEM/FUG
delta_h 71.826 kJ/mol #
# Enthalpy of formation: -1124.131 kJ/mol
+1.000PuO2+ +1.000CO3-2 = PuO2CO3-
log_k 5.12 #01LEM/FUG
delta_h 44.874 kJ/mol #
# Enthalpy of formation: -1540.483 kJ/mol
+1.000PuO2+ +1.000Nta-3 = PuO2(Nta)-2
log_k 7.5 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000PuO2+ +4.000H+ +1.000e- -2.000H2O = Pu+4
log_k 17.45 #
delta_h -201.428 kJ/mol #
# Enthalpy of formation: -539.895 kJ/mol 01LEM/FUG
+1.000Pu+4 +1.000Ox-2 = Pu(Ox)+2
log_k 11.4 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 +2.000Ox-2 = Pu(Ox)2
log_k 20.6 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 +3.000Ox-2 = Pu(Ox)3-2
log_k 26.5 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 +4.000Ox-2 = Pu(Ox)4-4
log_k 28.3 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 +1.000Nta-3 = Pu(Nta)+
log_k 21 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 +1.000Edta-4 = Pu(Edta)
log_k 31.8 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 -2.000H+ +2.000CO3-2 +2.000H2O = Pu(CO3)2(OH)2-2
log_k 16.76 #99RAI/HES
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 +1.000H+ +1.000H2(PO4)- = PuH3PO4+4
log_k 4.54 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 -3.000H+ +1.000HIsa- +3.000H2O = Pu(OH)3(HIsa)
log_k 4.75 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 -3.000H+ +2.000HIsa- +3.000H2O = Pu(OH)3(HIsa)2-
log_k 6.86 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 -4.000H+ +1.000HIsa- +4.000H2O = Pu(OH)4(HIsa)-
log_k -3.6 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 -4.000H+ +2.000HIsa- +4.000H2O = Pu(OH)4(HIsa)2-2
log_k 0.7 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 -3.000H+ +1.000HGlu- +3.000H2O = Pu(OH)3(HGlu)
log_k 4.75 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 -4.000H+ +1.000HGlu- +4.000H2O = Pu(OH)4(HGlu)-
log_k -2.7 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+3 -2.000H+ +1.000H2(PO4)- = PuPO4
log_k -7.92 #Estimated by correlation with An(III) in function of ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+3 -4.000H+ +2.000H2(PO4)- = Pu(PO4)2-3
log_k -19.73 #Estimated by correlation with An(III) in function of ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+3 +1.000Nta-3 = Pu(Nta)
log_k 13.1 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+3 +1.000H+ +1.000Edta-4 = Pu(HEdta)
log_k 22.02 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+3 +1.000Edta-4 = Pu(Edta)-
log_k 20.18 #05HUM/AND
delta_h -8.7 kJ/mol #
# Enthalpy of formation: -2305.29 kJ/mol
+1.000Mn+2 +1.000Scn- = Mn(Scn)+
log_k 1.4 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +1.000IO3- = Mn(IO3)+
log_k 0.84 #estimation NEA87 08/2/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +2.000IO3- = Mn(IO3)2
log_k 0.13 #estimation NEA87 08/2/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +1.000SeO4-2 = Mn(SeO4)
log_k 2.43 #05OLI/NOL
delta_h -1.282 kJ/mol #
# Enthalpy of formation: -825.582 kJ/mol
+1.000Mn+2 -1.000H+ +1.000H2O = Mn(OH)+
log_k -10.59 #95CHI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 -3.000H+ +3.000H2O = Mn(OH)3-
log_k -34.8 #95CHI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000U+4 -2.000H+ +2.000H2O = U(OH)2+2
log_k -1.1 #01NEC/KIM
delta_h 59.974 kJ/mol #
# Enthalpy of formation: -1102.886 kJ/mol
+1.000U+4 -3.000H+ +3.000H2O = U(OH)3+
log_k -4.7 #01NEC/KIM
delta_h 82.944 kJ/mol #
# Enthalpy of formation: -1365.746 kJ/mol
+1.000U+4 +1.000Nta-3 = U(Nta)+
log_k 20 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000U+4 +1.000Edta-4 = U(Edta)
log_k 29.5 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000U+4 -1.000H+ +1.000Edta-4 +1.000H2O = U(OH)(Edta)-
log_k 24.6 #63ERM/KRO
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000U+4 -3.000H+ +1.000HIsa- +3.000H2O = U(OH)3(HIsa)
log_k 0.29 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000U+4 -3.000H+ +2.000HIsa- +3.000H2O = U(OH)3(HIsa)2-
log_k 2.4 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000U+4 -4.000H+ +1.000HIsa- +4.000H2O = U(OH)4(HIsa)-
log_k -6.7 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000U+4 -4.000H+ +2.000HIsa- +4.000H2O = U(OH)4(HIsa)2-2
log_k -5.1 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000U+4 -3.000H+ +1.000HGlu- +3.000H2O = U(OH)3(HGlu)
log_k 0.29 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000U+4 -4.000H+ +1.000HGlu- +4.000H2O = U(OH)4(HGlu)-
log_k -5.94 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000U+4 -2.000H+ +1.000Edta-4 +2.000H2O = U(OH)2(Edta)-2
log_k 16.5 #63ERM/KRO
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000U+4 -2.000H+ +2.000Edta-4 +2.000H2O = (U(OH)(Edta))2-2
log_k 51.7 #63ERM/KRO
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+3 -2.000H+ +1.000H2(PO4)- = NpPO4
log_k -7.83 #Estimated by correlation with An(III) in function of ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+3 -4.000H+ +2.000H2(PO4)- = Np(PO4)2-3
log_k -19.57 #Estimated by correlation with An(III) in function of ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+3 -1.000H+ +1.000H2(PO4)- = NpHPO4+
log_k -1.78 #Estimated by correlation with An(III) in function of ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+3 +1.000Nta-3 = Np(Nta)
log_k 13 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+3 +1.000Edta-4 = Np(Edta)-
log_k 19.9 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+3 -2.000H+ +2.000H2(PO4)- = Np(HPO4)2-
log_k -5.38 #Estimated by correlation with An(III) in function of ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 -2.000H+ +2.000H2O = Np(OH)2+2
log_k 0.35 #03GUI/FAN
delta_h 54.53 kJ/mol #
# Enthalpy of formation: -1073.152 kJ/mol
+1.000Np+4 -3.000H+ +3.000H2O = Np(OH)3+
log_k -2.8 #01NEC/KIM, 99NEC
delta_h 74.932 kJ/mol #
# Enthalpy of formation: -1338.58 kJ/mol
+1.000Np+4 -4.000H+ +1.000CO3-2 +4.000H2O = Np(OH)4(CO3)-2
log_k -6.83 #93ERI/NDA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 -2.000H+ +2.000CO3-2 +2.000H2O = Np(OH)2(CO3)2-2
log_k 15.17 #99RAI/HES
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 +1.000Br- = NpBr+3
log_k 1.55 #Estimated by correlation with An(IV) in function of ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 +1.000Ox-2 = Np(Ox)+2
log_k 12.4 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 +1.000Nta-3 = Np(Nta)+
log_k 20.7 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 +2.000Nta-3 = Np(Nta)2-2
log_k 36.3 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 +1.000Edta-4 = Np(Edta)
log_k 31.2 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 -4.000H+ +1.000HIsa- +4.000H2O = Np(OH)4(HIsa)-
log_k -4.06 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 -4.000H+ +2.000HIsa- +4.000H2O = Np(OH)4(HIsa)2-2
log_k -2.2 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 -3.000H+ +1.000HIsa- +3.000H2O = Np(OH)3(HIsa)
log_k 3.27 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 -3.000H+ +2.000HIsa- +3.000H2O = Np(OH)3(HIsa)2-
log_k 5.38 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 -3.000H+ +1.000HGlu- +3.000H2O = Np(OH)3(HGlu)
log_k 3.27 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 -4.000H+ +1.000HGlu- +4.000H2O = Np(OH)4(HGlu)-
log_k -3.7 #06GAO/MON
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NpO2+ -2.000H+ +2.000H2O = NpO2(OH)2-
log_k -23.6 #01LEM/FUG
delta_h 118.61 kJ/mol #
# Enthalpy of formation: -1431.23 kJ/mol
+1.000NpO2+ -1.000H+ +2.000CO3-2 +1.000H2O = NpO2(CO3)2OH-4
log_k -5.31 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NpO2+ +1.000Ox-2 = NpO2(Ox)-
log_k 3.9 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NpO2+ +2.000Ox-2 = NpO2(Ox)2-3
log_k 5.8 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NpO2+ +1.000Cit-3 = NpO2(Cit)-2
log_k 3.68 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NpO2+ +1.000H+ +1.000Nta-3 = NpO2(HNta)-
log_k 11.7 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NpO2+ +1.000Nta-3 = NpO2(Nta)-2
log_k 7.46 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NpO2+ -1.000H+ +1.000Nta-3 +1.000H2O = NpO2(OH)(Nta)-3
log_k -4.7 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NpO2+ +1.000H+ +1.000Edta-4 = NpO2(HEdta)-2
log_k 17.06 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NpO2+ +1.000Edta-4 = NpO2(Edta)-3
log_k 9.23 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NpO2+ +4.000H+ +1.000e- -2.000H2O = Np+4
log_k 10.21 #
delta_h -149.501 kJ/mol #
# Enthalpy of formation: -556.022 kJ/mol 01LEM/FUG
+1.000NpO2+ -1.000H+ +1.000H2(PO4)- = NpO2HPO4-
log_k -4.26 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NpO2+ +2.000H+ +1.000Edta-4 = NpO2(H2Edta)-
log_k 22.51 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000NpO2+2 -3.000H+ +1.000CO3-2 +3.000H2O = (NpO2)2CO3(OH)3-
log_k -2.87 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sm+3 +3.000CO3-2 = Sm(CO3)3-3
log_k 14.8 #05VER/VIT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+10.000H+ +8.000e- +2.000SO4-2 -5.000H2O = S2O3-2
log_k 38.56 #
delta_h -262.756 kJ/mol #
# Enthalpy of formation: -652.286 kJ/mol 04CHI
+8.000H+ +6.000e- +2.000SO4-2 -4.000H2O = S2O4-2
log_k 10.7 #
delta_h -78.14 kJ/mol #
# Enthalpy of formation: -735.5 kJ/mol 82WAG/EVA
+4.000H+ +2.000e- +1.000SO4-2 -2.000H2O = SO2
log_k 5.41 #
delta_h 13.9 kJ/mol #
# Enthalpy of formation: -323.78 kJ/mol 85GOL/PAR
+16.000H+ +14.000e- +2.000SO4-2 -8.000H2O = S2-2
log_k 56.85 #
delta_h -432.92 kJ/mol #
# Enthalpy of formation: 35.04 kJ/mol 04CHI
+24.000H+ +20.000e- +3.000SO4-2 -12.000H2O = S3-2
log_k 94.57 #
delta_h -676 kJ/mol #
# Enthalpy of formation: 25.94 kJ/mol 74NAU/RYZ
+32.000H+ +26.000e- +4.000SO4-2 -16.000H2O = S4-2
log_k 131.19 #
delta_h -912.91 kJ/mol #
# Enthalpy of formation: 23.01 kJ/mol 74NAU/RYZ
+40.000H+ +32.000e- +5.000SO4-2 -20.000H2O = S5-2
log_k 167.59 #
delta_h -1148.56 kJ/mol #
# Enthalpy of formation: 21.34 kJ/mol 74NAU/RYZ
+12.000H+ +8.000e- +3.000SO4-2 -6.000H2O = S3O6-2
log_k 25.96 #
delta_h -154.296 kJ/mol #
# Enthalpy of formation: -1167.336 kJ/mol 04CHI
+20.000H+ +14.000e- +4.000SO4-2 -10.000H2O = S4O6-2
log_k 76.32 #
delta_h -445.178 kJ/mol #
# Enthalpy of formation: -1224.238 kJ/mol 04CHI
+28.000H+ +20.000e- +5.000SO4-2 -14.000H2O = S5O6-2
log_k 97.28 #
delta_h -630.624 kJ/mol #
# Enthalpy of formation: -1175.704 kJ/mol 04CHI
-2.000e- +2.000SO4-2 = S2O8-2
log_k -65.38 #
delta_h 473.98 kJ/mol #
# Enthalpy of formation: -1344.7 kJ/mol 82WAG/EVA
-1.000H+ -2.000e- +1.000SO4-2 +1.000H2O = HSO5-
log_k -60.21 #
delta_h 419.54 kJ/mol #
# Enthalpy of formation: -775.63 kJ/mol 88SHO/HEL
+9.000H+ +8.000e- +1.000SO4-2 -4.000H2O = HS-
log_k 33.69 #
delta_h -250.28 kJ/mol #
# Enthalpy of formation: -16.3 kJ/mol 89COX/WAG
-2.000e- +2.000Cl- = Cl2
log_k -47.21 #
delta_h 310.76 kJ/mol #
# Enthalpy of formation: -23.4 kJ/mol 82WAG/EVA
+1.000Ho+3 +2.000Cl- = HoCl2+
log_k -0.29 #81TUR/WHI
delta_h 36.3 kJ/mol #
# Enthalpy of formation: -1004.902 kJ/mol
-8.000H+ -8.000e- +1.000Cl- +4.000H2O = ClO4-
log_k -188.09 #
delta_h 1182.3 kJ/mol #
# Enthalpy of formation: -128.1 kJ/mol 89COX/WAG
+1.000Al+3 +1.000IO3- = Al(IO3)+2
log_k 2.46 #estimation NEA87 08/2/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 +2.000IO3- = Al(IO3)2+
log_k 4.3 #estimation NEA87 08/2/95
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Al+3 -1.000H+ +1.000H2O = Al(OH)+2
log_k -4.95 #95POK/HEL
delta_h 49.76 kJ/mol #
# Enthalpy of formation: -774.47 kJ/mol
+1.000Al+3 -2.000H+ +2.000H2O = Al(OH)2+
log_k -10.58 #
delta_h 98.264 kJ/mol #
# Enthalpy of formation: -1011.796 kJ/mol 95POK/HEL
+1.000Al+3 -3.000H+ +3.000H2O = Al(OH)3
log_k -16.42 #
delta_h 144.686 kJ/mol #
# Enthalpy of formation: -1251.204 kJ/mol 95POK/HEL
+1.000Al+3 -4.000H+ +4.000H2O = Al(OH)4-
log_k -22.87 #
delta_h 180.881 kJ/mol #
# Enthalpy of formation: -1500.839 kJ/mol 95POK/HEL
+1.000Cs+ -1.000H+ +1.000H2O = Cs(OH)
log_k -15.64 #
delta_h 65.736 kJ/mol #
# Enthalpy of formation: -478.094 kJ/mol 97SHO/SAS
+1.000Cs+ +1.000Cl- = CsCl
log_k -0.09 #
delta_h 7.523 kJ/mol #
# Enthalpy of formation: -417.557 kJ/mol
+1.000Cs+ +1.000F- = CsF
log_k -0.38 #
delta_h 2.446 kJ/mol #
# Enthalpy of formation: -590.904 kJ/mol
+1.000Cs+ +1.000I- = CsI
log_k 1.05 #
delta_h -0.055 kJ/mol #
# Enthalpy of formation: -314.835 kJ/mol
-2.000e- +2.000Cl- +1.000I- = ICl2-
log_k -26.8 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-2.000e- +3.000I- = I3-
log_k -18.17 #
delta_h 118.877 kJ/mol #
# Enthalpy of formation: -51.463 kJ/mol
-8.000H+ -8.000e- +1.000I- +4.000H2O = IO4-
log_k -164.98 #
delta_h 1048.639 kJ/mol #
# Enthalpy of formation: -151.461 kJ/mol
+9.000H+ +8.000e- +1.000NO3- -3.000H2O = NH3
log_k 110 #95SIL/BID
delta_h -731.81 kJ/mol #
# Enthalpy of formation: -81.17 kJ/mol 95SIL/BID
-1.000H+ +1.000HS- = S-2
log_k -17.1 #04CHI
delta_h 73.278 kJ/mol #
# Enthalpy of formation: 56.978 kJ/mol
+1.000H+ +1.000HS- = H2S
log_k 6.99 #
delta_h -22.3 kJ/mol #
# Enthalpy of formation: -38.6 kJ/mol 89COX/WAG
+1.000Sn+2 +1.000SO4-2 = Sn(SO4)
log_k 2.6 #81PET/MIL recalculated in 02HUM/BER
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +1.000Cl- = SnCl+
log_k 1.7 #02HUM/BER
delta_h 7.023 kJ/mol #
# Enthalpy of formation: -168.956 kJ/mol
+1.000Sn+2 +2.000Cl- = SnCl2
log_k 2.36 #02HUM/BER
delta_h 9.039 kJ/mol #
# Enthalpy of formation: -334.018 kJ/mol
+1.000Sn+2 +3.000Cl- = SnCl3-
log_k 2.1 #02HUM/BER
delta_h 19.587 kJ/mol #
# Enthalpy of formation: -490.549 kJ/mol
+1.000Sn+2 +1.000F- = SnF+
log_k 5 #02HUM/BER
delta_h -8.152 kJ/mol #
# Enthalpy of formation: -352.402 kJ/mol
+1.000Sn+2 +2.000F- = SnF2
log_k 7.74 #99LOT/OCH
delta_h -3.405 kJ/mol #
# Enthalpy of formation: -683.004 kJ/mol
+1.000Sn+2 +3.000F- = SnF3-
log_k 9.61 #99LOT/OCH
delta_h 6.309 kJ/mol #
# Enthalpy of formation: -1008.64 kJ/mol
+1.000Sn+2 +1.000Br- = SnBr+
log_k 1.07 #01SEB/POT2
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +2.000Br- = SnBr2
log_k 1.88 #01SEB/POT2
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +3.000Br- = SnBr3-
log_k 1.5 #01SEB/POT2
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +1.000I- = SnI+
log_k 1.74 #68HAI/JOH recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 -1.000H+ +1.000H2O = Sn(OH)+
log_k -3.8 #02HUM/BER
delta_h 20.153 kJ/mol #
# Enthalpy of formation: -274.577 kJ/mol
+1.000Sn+2 -2.000H+ +2.000H2O = Sn(OH)2
log_k -7.7 #02HUM/BER
delta_h 40.876 kJ/mol #
# Enthalpy of formation: -539.684 kJ/mol
+1.000Sn+2 -3.000H+ +3.000H2O = Sn(OH)3-
log_k -17.5 #02HUM/BER
delta_h 95.277 kJ/mol #
# Enthalpy of formation: -771.113 kJ/mol
+3.000Sn+2 -4.000H+ +4.000H2O = Sn3(OH)4+2
log_k -5.6 #02HUM/BER
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+4 -4.000H+ +4.000H2O = Sn(OH)4
log_k -0.49 #
delta_h -3.35 kJ/mol #
# Enthalpy of formation: -1116.169 kJ/mol
+1.000Sn+4 +1.000Cl- = SnCl+3
log_k 5.86 #78FAT/ROU recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 +1.000H+ +1.000CO3-2 = Cd(HCO3)+
log_k 11.83 #93STI/PAR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 +2.000CO3-2 = Cd(CO3)2-2
log_k 6.5 #91RAI/FEL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 +1.000H2(PO4)- = Cd(H2PO4)+
log_k 1.8 #01AYA/MAD
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-2.000H+ +2.000H4(SiO4) -1.000H2O = Si2O3(OH)4-2
log_k -19 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sm+3 -1.000H+ +1.000H4(SiO4) = SmSiO(OH)3+2
log_k -2.62 #Orginal data 07THA/SIN and 96JEN/CHO
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sm+3 +2.000F- = SmF2+
log_k 6.43 #Original data 99SCH/BYR and 04LUO/BYR
delta_h 18.85 kJ/mol #
# Enthalpy of formation: -1343.049 kJ/mol
-2.000H+ -2.000e- +1.000I- +1.000H2O = IO-
log_k -44 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Na+ +1.000H+ +1.000CO3-2 = Na(HCO3)
log_k 10.08 #90NOR/PLU
delta_h -26.127 kJ/mol #
# Enthalpy of formation: -941.697 kJ/mol
+1.000H+ +1.000Cit-3 = H(Cit)-2
log_k 6.36 #05HUM/AND
delta_h 3.3 kJ/mol #
# Enthalpy of formation: -1516.62 kJ/mol
+1.000Na+ +1.000F- = NaF
log_k -0.45 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel
delta_h -12.552 kJ/mol #
# Enthalpy of formation: -588.242 kJ/mol
+1.000Na+ -1.000H+ +1.000H2(PO4)- = Na(HPO4)-
log_k -6.34 #97MAR/SMI
delta_h 34.936 kJ/mol #97MAR/SMI
# Enthalpy of formation: -1508.004 kJ/mol
+2.000H+ +1.000Cit-3 = H2(Cit)-
log_k 11.14 #05HUM/AND
delta_h 0.9 kJ/mol #
# Enthalpy of formation: -1519.02 kJ/mol
+2.000H+ +2.000e- = H2
log_k -3.08 #
delta_h -4.2 kJ/mol #
# Enthalpy of formation: -4.2 kJ/mol 82WAG/EVA
+3.000H+ +1.000Cit-3 = H3(Cit)
log_k 14.27 #05HUM/AND
delta_h -3.6 kJ/mol #
# Enthalpy of formation: -1523.52 kJ/mol
+1.000Eu+3 -4.000H+ +4.000H2O = Eu(OH)4-
log_k -40.7 #07NEC/ALT
delta_h 296.791 kJ/mol #
# Enthalpy of formation: -1451.86 kJ/mol
+1.000H+ +1.000Ox-2 = H(Ox)-
log_k 4.25 #05HUM/AND
delta_h 7.3 kJ/mol #
# Enthalpy of formation: -823.36 kJ/mol
+2.000H+ +1.000Ox-2 = H2(Ox)
log_k 5.65 #05HUM/AND
delta_h 10.6 kJ/mol #05HUM/AND
# Enthalpy of formation: -820.06 kJ/mol
+1.000H+ +1.000Nta-3 = H(Nta)-2
log_k 10.28 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000H+ +1.000Nta-3 = H2(Nta)-
log_k 13.2 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000H+ +1.000Nta-3 = H3(Nta)
log_k 15.33 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+4.000H+ +1.000Nta-3 = H4(Nta)+
log_k 16.13 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H+ +1.000Edta-4 = H(Edta)-3
log_k 11.24 #05HUM/AND
delta_h -19.8 kJ/mol #
# Enthalpy of formation: -1724.6 kJ/mol
+2.000H+ +1.000Edta-4 = H2(Edta)-2
log_k 18.04 #05HUM/AND
delta_h -35 kJ/mol #
# Enthalpy of formation: -1739.8 kJ/mol
+3.000H+ +1.000Edta-4 = H3(Edta)-
log_k 21.19 #05HUM/AND
delta_h -27.9 kJ/mol #
# Enthalpy of formation: -1732.7 kJ/mol
+4.000H+ +1.000Edta-4 = H4(Edta)
log_k 23.42 #05HUM/AND
delta_h -26 kJ/mol #
# Enthalpy of formation: -1730.8 kJ/mol
+5.000H+ +1.000Edta-4 = H5(Edta)+
log_k 24.72 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+6.000H+ +1.000Edta-4 = H6(Edta)+2
log_k 24.22 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H+ +1.000HIsa- = H2Isa
log_k 4 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H+ +1.000HGlu- = H2Glu
log_k 3.9 #98ZUB/CAS
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H+ +1.000Cl- = HCl
log_k -0.71 #97TAG/ZOT
delta_h -12.298 kJ/mol #
# Enthalpy of formation: -179.378 kJ/mol
+1.000H4(SiO4) -1.000H+ +1.000PuO2+2 = PuO2(OSi(OH)3)+
log_k -3.64 #03YUS/FED
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000H+ +2.000e- +0.500O2 = H2O
log_k 42.99 #
delta_h -279.763 kJ/mol #
# Enthalpy of formation: -285.83 kJ/mol 89COX/WAG
+1.000Ba+2 +1.000NO3- = Ba(NO3)+
log_k -0.31 #
delta_h 6.819 kJ/mol #
# Enthalpy of formation: -734.831 kJ/mol
+1.000Ba+2 -1.000H+ +1.000H2O = Ba(OH)+
log_k -13.47 #76BAE/MES
delta_h 87.395 kJ/mol #
# Enthalpy of formation: -733.235 kJ/mol
+1.000Cd+2 +1.000CO3-2 = Cd(CO3)
log_k 4.7 #91RAI/FEL
delta_h 4.299 kJ/mol #
# Enthalpy of formation: -746.851 kJ/mol
+1.000Cd+2 +1.000SO4-2 = Cd(SO4)
log_k 2.37 #97MAR/SMI
delta_h 8.7 kJ/mol #97MAR/SMI
# Enthalpy of formation: -976.56 kJ/mol
+1.000Cd+2 +2.000SO4-2 = Cd(SO4)2-2
log_k 3.44 #76SMI/MAR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 +1.000Cl- = CdCl+
log_k 1.97 #76BAE/MES
delta_h -5.52 kJ/mol #
# Enthalpy of formation: -248.52 kJ/mol
+1.000Cd+2 +2.000Cl- = CdCl2
log_k 2.59 #76BAE/MES
delta_h -14.068 kJ/mol #
# Enthalpy of formation: -424.148 kJ/mol
+1.000Cd+2 +3.000Cl- = CdCl3-
log_k 2.4 #76BAE/MES
delta_h -25.804 kJ/mol #
# Enthalpy of formation: -602.964 kJ/mol
+1.000Cd+2 +4.000Cl- = CdCl4-2
log_k 1.47 #76BAE/MES
delta_h -44.765 kJ/mol #
# Enthalpy of formation: -789.005 kJ/mol
+1.000Cd+2 +1.000Br- = CdBr+
log_k 2.16 #
delta_h -7.959 kJ/mol #
# Enthalpy of formation: -205.289 kJ/mol
+1.000Cd+2 +2.000Br- = CdBr2
log_k 2.92 #
delta_h -15.742 kJ/mol #
# Enthalpy of formation: -334.482 kJ/mol
+1.000Cd+2 +3.000Br- = CdBr3-
log_k 3.19 #
delta_h -28.845 kJ/mol #
# Enthalpy of formation: -468.995 kJ/mol
+1.000Cd+2 +1.000I- = CdI+
log_k 2.09 #
delta_h -8.739 kJ/mol #
# Enthalpy of formation: -141.439 kJ/mol
+1.000Cd+2 +2.000I- = CdI2
log_k 3.52 #
delta_h -18.988 kJ/mol #
# Enthalpy of formation: -208.468 kJ/mol
+1.000Cd+2 +3.000I- = CdI3-
log_k 4.64 #
delta_h -38.647 kJ/mol #
# Enthalpy of formation: -284.907 kJ/mol
+1.000Cd+2 +4.000I- = CdI4-2
log_k 5.48 #
delta_h -75.609 kJ/mol #
# Enthalpy of formation: -378.649 kJ/mol
+1.000Pd+2 +3.000Br- = PdBr3-
log_k 13.75 #72ELD
delta_h -92.385 kJ/mol #
# Enthalpy of formation: -266.731 kJ/mol
+1.000Pd+2 +4.000Br- = PdBr4-2
log_k 15.11 #72ELD
delta_h -126.683 kJ/mol #
# Enthalpy of formation: -422.439 kJ/mol
+1.000Pd+2 +3.000NH3 = Pd(NH3)3+2
log_k 26 #68RAS/JOR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pd+2 +4.000NH3 = Pd(NH3)4+2
log_k 32.8 #68RAS/JOR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-1.000H+ +1.000Pd+2 +3.000Cl- +1.000H2O = PdCl3(OH)-2
log_k 2.31 #00BYR/YAO
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pd+2 +2.000Br- = PdBr2
log_k 10.06 #72ELD
delta_h -57.708 kJ/mol #
# Enthalpy of formation: -110.645 kJ/mol
+1.000Pd+2 +1.000CO3-2 = Pd(CO3)
log_k 6.83 #87BRO/WAN
delta_h -8.829 kJ/mol #
# Enthalpy of formation: -494.175 kJ/mol
+1.000Cd+2 +1.000NH3 = Cd(NH3)+2
log_k 2.52 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pd+2 +2.000CO3-2 = Pd(CO3)2-2
log_k 12.53 #87BRO/WAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 +2.000NH3 = Cd(NH3)2+2
log_k 4.87 #
delta_h -27.965 kJ/mol #
# Enthalpy of formation: -266.225 kJ/mol
+1.000Cd+2 +3.000NH3 = Cd(NH3)3+2
log_k 5.93 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 +4.000NH3 = Cd(NH3)4+2
log_k 7.3 #
delta_h -49.714 kJ/mol #
# Enthalpy of formation: -450.314 kJ/mol
+1.000Cd+2 +1.000Pyrophos-4 = Cd(Pyrophos)-2
log_k 8.7 #92CLE/JOH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 +1.000Cn- = Cd(Cn)+
log_k 5.3 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 +2.000Cn- = Cd(Cn)2
log_k 10.34 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 +3.000Cn- = Cd(Cn)3-
log_k 14.81 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 +4.000Cn- = Cd(Cn)4-2
log_k 18.25 #
delta_h -98.48 kJ/mol #
# Enthalpy of formation: 428.096 kJ/mol
+1.000Am+3 +1.000e- = Am+2
log_k -38.88 #95SIL/BID
delta_h 262.076 kJ/mol #
# Enthalpy of formation: -354.624 kJ/mol
+1.000Am+3 -1.000e- +5.000CO3-2 = Am(CO3)5-6
log_k -5.1 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-1.000H+ +1.000Am+3 +1.000H4(SiO4) = AmOSi(OH)3+2
log_k -2.31 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-2.000H+ +1.000Am+3 +1.000H2(PO4)- = AmPO4
log_k -7.76 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-4.000H+ +1.000Am+3 +2.000H2(PO4)- = Am(PO4)2-3
log_k -19.43 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-1.000H+ +1.000Am+3 +1.000H2(PO4)- = Am(HPO4)+
log_k -1.74 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-2.000H+ +1.000Am+3 +2.000H2(PO4)- = Am(HPO4)2-
log_k -5.31 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Am+3 +3.000F- = AmF3
log_k 10.82 #69AZI/LYL
delta_h -12.119 kJ/mol #
# Enthalpy of formation: -1634.869 kJ/mol
-3.000H+ +1.000Am+3 +1.000HIsa- +3.000H2O = Am(OH)3(HIsa)-
log_k -21.5 #05TIT/WIE
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-3.000H+ +1.000Am+3 +1.000HGlu- +3.000H2O = Am(OH)3(HGlu)-
log_k -19.7 #05TIT/WIE
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Am+3 +1.000Ox-2 = Am(Ox)+
log_k 6.51 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Am+3 +2.000Ox-2 = Am(Ox)2-
log_k 10.71 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Am+3 +3.000Ox-2 = Am(Ox)3-3
log_k 13 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H+ +1.000Am+3 +1.000Cit-3 = Am(HCit)+
log_k 12.86 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Am+3 +1.000Cit-3 = Am(Cit)
log_k 8.55 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000H+ +1.000Am+3 +2.000Cit-3 = Am(HCit)2-
log_k 23.52 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Am+3 +2.000Cit-3 = Am(Cit)2-3
log_k 13.9 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Am+3 +1.000Nta-3 = Am(Nta)
log_k 13 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Am+3 +2.000Nta-3 = Am(Nta)2-3
log_k 22 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H+ +1.000Am+3 +1.000Edta-4 = Am(HEdta)
log_k 21.84 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Am+3 +1.000Edta-4 = Am(Edta)-
log_k 19.67 #05HUM/AND
delta_h -10.6 kJ/mol #
# Enthalpy of formation: -2332.1 kJ/mol
+1.000H+ +1.000Am+3 +1.000CO3-2 = Am(HCO3)+2
log_k 13.43 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-4.000H+ +1.000Am+3 +4.000H2O = Am(OH)4-
log_k -40.7 #07NEC/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H+ +1.000Ra+2 +1.000CO3-2 = Ra(HCO3)+
log_k 10.92 #01ILE/TWE
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ra+2 +2.000Cl- = RaCl2
log_k -0.1 #
delta_h 0.496 kJ/mol #
# Enthalpy of formation: -861.689 kJ/mol
+1.000Cd+2 +1.000NO3- = Cd(NO3)+
log_k 0.46 #74FED/ROB in 82HÖG
delta_h -21.757 kJ/mol #74NAU/RYZ in 91BAL/NOR
# Enthalpy of formation: -304.527 kJ/mol
+1.000Cd+2 +2.000NO3- = Cd(NO3)2
log_k 0.17 #97CRO
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cd+2 -1.000H+ +1.000H2O = Cd(OH)+
log_k -10.08 #81BAE/MES
delta_h 54.81 kJ/mol #81BAE/MES
# Enthalpy of formation: -306.94 kJ/mol
+1.000Cd+2 -2.000H+ +2.000H2O = Cd(OH)2
log_k -20.9 #91RAI/FEL
delta_h 114.9 kJ/mol #
# Enthalpy of formation: -532.68 kJ/mol
+1.000Cd+2 -3.000H+ +3.000H2O = Cd(OH)3-
log_k -33.3 #81BAE/MES
delta_h 156.416 kJ/mol #
# Enthalpy of formation: -776.994 kJ/mol
+1.000Cd+2 -4.000H+ +4.000H2O = Cd(OH)4-2
log_k -47.48 #91RAI/FEL
delta_h 229.571 kJ/mol #
# Enthalpy of formation: -989.669 kJ/mol
+4.000Cd+2 -4.000H+ +4.000H2O = Cd4(OH)4+4
log_k -32.07 #
delta_h 172.135 kJ/mol #
# Enthalpy of formation: -1274.865 kJ/mol 99YUN/GLU
+1.000Fe+3 +2.000SO4-2 = Fe(SO4)2-
log_k 5.4 #91PEA/BER in 98CHI
delta_h 19.248 kJ/mol #
# Enthalpy of formation: -1848.432 kJ/mol
+3.000Fe+3 -4.000H+ +4.000H2O = Fe3(OH)4+5
log_k -6.3 #76BAE/MES in 98CHI
delta_h 59.831 kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000SeO3-2 = Fe(SeO3)+
log_k 11.15 #05OLI/NOL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-1.000H+ +1.000Ho+3 +1.000H2O = Ho(OH)+2
log_k -7.9 #95SPA/BRU
delta_h 79.9 kJ/mol #
# Enthalpy of formation: -912.972 kJ/mol
-2.000H+ +1.000Ho+3 +2.000H2O = Ho(OH)2+
log_k -15.7 #07NEC/ALT
delta_h 143.846 kJ/mol #
# Enthalpy of formation: -1134.856 kJ/mol
-3.000H+ +1.000Ho+3 +3.000H2O = Ho(OH)3
log_k -26.2 #07NEC/ALT
delta_h 226.067 kJ/mol #
# Enthalpy of formation: -1338.465 kJ/mol
-4.000H+ +1.000Ho+3 +4.000H2O = Ho(OH)4-
log_k -40.7 #07NEC/ALT
delta_h 295.822 kJ/mol #
# Enthalpy of formation: -1554.54 kJ/mol
+1.000Ho+3 +3.000CO3-2 = Ho(CO3)3-3
log_k 14.8 #05VER/VIT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-1.000H+ +1.000Ho+3 +1.000H4(SiO4) = HoSiO(OH)3+2
log_k -2.62 #Original data from 07THA/SIN and 96JEN/CHO
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ho+3 +2.000F- = HoF2+
log_k 6.52 #Original data from 99SCH/BYR and 04LUO/BYR
delta_h 21.11 kJ/mol #04LUO/MIL
# Enthalpy of formation: -1356.632 kJ/mol
+1.000Zn+2 +1.000SeO4-2 = Zn(SeO4)
log_k 2.16 #05OLI/NOL
delta_h 4.6 kJ/mol #05OLI/NOL
# Enthalpy of formation: -752.29 kJ/mol
+1.000Ni+2 +1.000CO3-2 = Ni(CO3)
log_k 4.2 #03BAE/BRA in 05GAM/BUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +2.000CO3-2 = Ni(CO3)2-2
log_k 6.2 #03BAE/BRA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +1.000H+ +1.000CO3-2 = Ni(HCO3)+
log_k 11.73 #03BAE/BRA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +1.000SO4-2 = Ni(SO4)
log_k 2.35 #05GAM/BUG
delta_h 5.66 kJ/mol #05GAM/BUG
# Enthalpy of formation: -958.692 kJ/mol
+1.000Ni+2 +2.000SO4-2 = Ni(SO4)2-2
log_k 3.01 #89BAE/McK
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +1.000F- = NiF+
log_k 1.43 #05GAM/BUG
delta_h 9.5 kJ/mol #05GAM/BUG
# Enthalpy of formation: -380.862 kJ/mol
+1.000Ni+2 -1.000H+ +1.000H2(PO4)- = Ni(HPO4)
log_k -4.16 #05GAM/BUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-1.000H+ +1.000AmO2+ +1.000H2O = AmO2OH
log_k -11.3 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-2.000H+ +1.000AmO2+ +2.000H2O = AmO2(OH)2-
log_k -23.6 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000AmO2+ +1.000CO3-2 = AmO2(CO3)-
log_k 5.1 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000AmO2+ +2.000CO3-2 = AmO2(CO3)2-3
log_k 6.7 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000AmO2+ +3.000CO3-2 = AmO2(CO3)3-5
log_k 5.1 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 -2.000H+ +2.000H2O = Fe(OH)2
log_k -20.6 #76BAE/MES in 99CHIa
delta_h 119.662 kJ/mol #
# Enthalpy of formation: -541.998 kJ/mol
+1.000Fe+2 -3.000H+ +3.000H2O = Fe(OH)3-
log_k -31.9 #76BAE/MES in 99CHIa
delta_h 138.072 kJ/mol #
# Enthalpy of formation: -809.418 kJ/mol
+1.000Fe+2 +1.000H+ +1.000SO4-2 = Fe(HSO4)+
log_k 3.07 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +1.000CO3-2 = Fe(CO3)
log_k 5.69 #99CHIb
delta_h -5.764 kJ/mol #
# Enthalpy of formation: -770.994 kJ/mol
+1.000Fe+2 +1.000F- = FeF+
log_k 1 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+2 +1.000SO4-2 = Fe(SO4)
log_k 2.2 #91PEA/BER in 98CHI
delta_h 13.514 kJ/mol #
# Enthalpy of formation: -985.826 kJ/mol
+3.000H+ +1.000Nb(OH)6- +1.000Ox-2 -4.000H2O = NbO2(HOx)
log_k 13.7 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000H+ +1.000Nb(OH)6- -3.000H2O = Nb(OH)3+2
log_k 7.5 #97PEI/NGU
delta_h -10.23 kJ/mol #97PEI/NGU
# Enthalpy of formation: -1078.405 kJ/mol
+4.000H+ +1.000Nb(OH)6- +2.000Ox-2 -4.000H2O = NbO2(HOx)2-
log_k 20.96 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000H+ +1.000Nb(OH)6- +1.000Ox-2 -4.000H2O = NbO2(Ox)-
log_k 10.94 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+5.000H+ +1.000Nb(OH)6- +1.000Cit-3 -4.000H2O = NbO2(H3Cit)+
log_k 25.64 #96AKR/BOU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +1.000NO3- = Ni(NO3)+
log_k 0.5 #05GAM/BUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +2.000NO3- = Ni(NO3)2
log_k -0.6 #76SMI/MAR in 89BAE/McK
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 +1.000SeO4-2 = Ni(SeO4)
log_k 2.67 #05OLI/NOL
delta_h -0.675 kJ/mol #
# Enthalpy of formation: -659.187 kJ/mol
+1.000Ni+2 -1.000H+ +1.000H2O = Ni(OH)+
log_k -9.54 #05GAM/BUG
delta_h 53.8 kJ/mol #05GAM/BUG
# Enthalpy of formation: -287.042 kJ/mol
+1.000Ni+2 -2.000H+ +2.000H2O = Ni(OH)2
log_k -18 #49GAY/GAR reevaluated in 05GAM/BUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 -3.000H+ +3.000H2O = Ni(OH)3-
log_k -29.38 #49GAY/GAR reevaluated in 05GAM/BUG
delta_h 121.2 kJ/mol #05GAM/BUG
# Enthalpy of formation: -791.302 kJ/mol
+2.000Ni+2 -1.000H+ +1.000H2O = Ni2(OH)+3
log_k -10.6 #05GAM/BUG
delta_h 45.9 kJ/mol #05GAM/BUG
# Enthalpy of formation: -349.954 kJ/mol
+4.000Ni+2 -4.000H+ +4.000H2O = Ni4(OH)4+4
log_k -27.52 #05GAM/BUG
delta_h 190 kJ/mol #05GAM/BUG
# Enthalpy of formation: -1173.368 kJ/mol
+1.000Pb+2 +1.000CO3-2 = Pb(CO3)
log_k 7 #06BLA/PIA
delta_h -3.015 kJ/mol #
# Enthalpy of formation: -677.325 kJ/mol
+1.000Pb+2 +2.000CO3-2 = Pb(CO3)2-2
log_k 10.13 #99LOT/OCH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pb+2 +1.000SO4-2 = Pb(SO4)
log_k 2.82 #99LOT/OCH
delta_h 6.861 kJ/mol #
# Enthalpy of formation: -901.559 kJ/mol
+1.000Pb+2 +2.000SO4-2 = Pb(SO4)2-2
log_k 3.47 #97MAR/SMI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pb+2 +1.000Cl- = PbCl+
log_k 1.44 #97SVE/SHO
delta_h 4.318 kJ/mol #
# Enthalpy of formation: -161.842 kJ/mol
+1.000Pb+2 +2.000Cl- = PbCl2
log_k 2 #97SVE/SHO
delta_h 7.949 kJ/mol #
# Enthalpy of formation: -325.291 kJ/mol
+1.000Pb+2 +3.000Cl- = PbCl3-
log_k 1.69 #97SVE/SHO
delta_h 7.813 kJ/mol #
# Enthalpy of formation: -492.507 kJ/mol
+1.000Pb+2 +4.000Cl- = PbCl4-2
log_k 1.4 #97SVE/SHO
delta_h 1.323 kJ/mol #
# Enthalpy of formation: -666.077 kJ/mol
+1.000Mn+2 -1.000e- = Mn+3
log_k -25.51 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 -8.000H+ -4.000e- +4.000H2O = MnO4-2
log_k -118.4 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
delta_h 711.366 kJ/mol #
# Enthalpy of formation: -652.704 kJ/mol
+1.000Mn+2 -8.000H+ -5.000e- +4.000H2O = MnO4-
log_k -127.78 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
delta_h 822.66 kJ/mol #
# Enthalpy of formation: -541.41 kJ/mol
+1.000Mn+2 -2.000H+ +2.000H2O = Mn(OH)2
log_k -22.2 #95CHI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pb+2 +1.000Br- = PbBr+
log_k 1.7 #82HÖG
delta_h 4.228 kJ/mol #
# Enthalpy of formation: -116.262 kJ/mol
+1.000Mn+2 -4.000H+ +4.000H2O = Mn(OH)4-2
log_k -48.3 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92EUR 11891 EN ; Nagra TR 91-18 (mai 1992, Hatches 3.0) (provient de la base 0391 MINEQL- PSY)
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000Mn+2 -3.000H+ +3.000H2O = Mn2(OH)3+
log_k -24.9 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +1.000CO3-2 = Mn(CO3)
log_k 6.5 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +1.000NO3- = Mn(NO3)+
log_k 0.16 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +2.000NO3- = Mn(NO3)2
log_k 0.5 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +1.000F- = MnF+
log_k 0.85 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +2.000F- = MnF2
log_k 9.04 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +3.000F- = MnF3-
log_k 11.64 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pb+2 +2.000Br- = PbBr2
log_k 1.9 #82HÖG
delta_h 10.991 kJ/mol #
# Enthalpy of formation: -230.909 kJ/mol
+1.000Mn+2 +4.000F- = MnF4-2
log_k 13.4 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +6.000F- = MnF6-4
log_k 15.5 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +1.000Br- = MnBr+
log_k 0.13 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000Mn+2 -1.000H+ +1.000H2O = Mn2(OH)+3
log_k -10.1 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 -2.000H+ +2.000H2(PO4)- = Mn(HPO4)2-2
log_k -9.12 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Mn+2 +5.000F- = MnF5-3
log_k 14.7 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pb+2 +3.000Br- = PbBr3-
log_k 2.9 #82HÖG
delta_h 10.653 kJ/mol #
# Enthalpy of formation: -352.657 kJ/mol
+1.000Pb+2 +1.000I- = PbI+
log_k 1.98 #82HÖG
delta_h 3.874 kJ/mol #
# Enthalpy of formation: -51.986 kJ/mol
+1.000Pb+2 +3.000I- = PbI3-
log_k 3.81 #82HÖG
delta_h 3.163 kJ/mol #
# Enthalpy of formation: -166.257 kJ/mol
+1.000Pb+2 +4.000I- = PbI4-2
log_k 3.75 #82HÖG
delta_h -15.561 kJ/mol #
# Enthalpy of formation: -241.761 kJ/mol
+1.000Pb+2 +1.000NO3- = Pb(NO3)+
log_k 1.06 #99LOT/OCH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pb+2 +2.000NO3- = Pb(NO3)2
log_k 1.48 #99LOT/OCH
delta_h -11.012 kJ/mol #
# Enthalpy of formation: 401.768 kJ/mol
+1.000Pb+2 -1.000H+ +1.000H2O = Pb(OH)+
log_k -7.51 #99LOT/OCH
delta_h 53.92 kJ/mol #
# Enthalpy of formation: -230.99 kJ/mol
+1.000Pb+2 -2.000H+ +2.000H2O = Pb(OH)2
log_k -16.95 #99LOT/OCH
delta_h 97.824 kJ/mol #
# Enthalpy of formation: -472.916 kJ/mol
+1.000Pb+2 -3.000H+ +3.000H2O = Pb(OH)3-
log_k -27.2 #01PER/HEF
delta_h 130.485 kJ/mol #
# Enthalpy of formation: -726.085 kJ/mol
+2.000Pb+2 -1.000H+ +1.000H2O = Pb2(OH)+3
log_k -7.18 #99LOT/OCH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+4.000Pb+2 -4.000H+ +4.000H2O = Pb4(OH)4+4
log_k -20.63 #99LOT/OCH
delta_h 82.038 kJ/mol #
# Enthalpy of formation: -1057.602 kJ/mol
+1.000Ag+ +1.000SO4-2 = Ag(SO4)-
log_k 1.38 #
delta_h 4.646 kJ/mol #
# Enthalpy of formation: -798.904 kJ/mol
+1.000Ag+ +1.000Cl- = AgCl
log_k 3.27 #91BAL/NOR
delta_h -17.099 kJ/mol #
# Enthalpy of formation: -78.389 kJ/mol
+1.000Ag+ +2.000Cl- = AgCl2-
log_k 5.27 #91BAL/NOR
delta_h -28.752 kJ/mol #
# Enthalpy of formation: -257.122 kJ/mol
+1.000Ag+ +3.000Cl- = AgCl3-2
log_k 5.29 #91BAL/NOR
delta_h -29.163 kJ/mol #
# Enthalpy of formation: -424.613 kJ/mol
+1.000Ag+ +1.000Br- = AgBr
log_k 4.24 #91BAL/NOR, 68WAG
delta_h -23.129 kJ/mol #
# Enthalpy of formation: -38.749 kJ/mol
+1.000Ag+ +2.000Br- = AgBr2-
log_k 7.28 #91BAL/NOR, 68WAG
delta_h -45.296 kJ/mol #
# Enthalpy of formation: -182.326 kJ/mol
+1.000Ag+ +3.000Br- = AgBr3-2
log_k 8.71 #91BAL/NOR, 68WAG
delta_h -66.741 kJ/mol #
# Enthalpy of formation: -325.181 kJ/mol
+1.000Ag+ +1.000I- = AgI
log_k 6.58 #76SMI/MAR
delta_h -36.962 kJ/mol #
# Enthalpy of formation: 12.048 kJ/mol
+1.000Ag+ +2.000I- = AgI2-
log_k 11.7 #76SMI/MAR
delta_h -76.578 kJ/mol #
# Enthalpy of formation: -84.348 kJ/mol
+1.000Ag+ +3.000I- = AgI3-2
log_k 13.28 #
delta_h -114.911 kJ/mol #
# Enthalpy of formation: -179.461 kJ/mol
+1.000Ag+ +1.000HS- = Ag(HS)
log_k 14.05 #74NAU/RYZ in 91BAL/NOR
delta_h -78.826 kJ/mol #
# Enthalpy of formation: 10.664 kJ/mol
+1.000Ag+ +2.000HS- = Ag(HS)2-
log_k 18.45 #74NAU/RYZ in 91BAL/NOR
delta_h -105.805 kJ/mol #
# Enthalpy of formation: -32.615 kJ/mol
+1.000Ag+ +1.000S2O3-2 = Ag(S2O3)-
log_k 9.23 #74BEL/MAR in 82HÖG
delta_h -58.994 kJ/mol #74BEL/MAR in 82HÖG
# Enthalpy of formation: -601.724 kJ/mol
+1.000Ag+ +2.000S2O3-2 = Ag(S2O3)2-3
log_k 13.64 #72POU/RIG in 82HÖG
delta_h -94.45 kJ/mol #
# Enthalpy of formation: -1285.7 kJ/mol 82WAG/EVA
+1.000Ag+ +1.000SO3-2 = Ag(SO3)-
log_k 5.21 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ag+ -1.000H+ +1.000H2O = Ag(OH)
log_k -12 #76BAE/MES
delta_h 47.178 kJ/mol #
# Enthalpy of formation: -132.862 kJ/mol
+1.000Al+3 +1.000SO4-2 = Al(SO4)+
log_k 3.17 #01TAG/SCH
delta_h 18.87 kJ/mol #
# Enthalpy of formation: -1428.87 kJ/mol
+1.000Al+3 +1.000F- = AlF+2
log_k 6.98 #01TAG/SCH
delta_h -0.346 kJ/mol #
# Enthalpy of formation: -874.096 kJ/mol
+1.000Al+3 +2.000F- = AlF2+
log_k 12.5 #01TAG/SCH
delta_h 0.42 kJ/mol #
# Enthalpy of formation: -1208.68 kJ/mol
+1.000Al+3 +3.000F- = AlF3
log_k 16.55 #01TAG/SCH
delta_h 0.615 kJ/mol #
# Enthalpy of formation: -1543.835 kJ/mol
+1.000Al+3 +4.000F- = AlF4-
log_k 18.93 #01TAG/SCH
delta_h 0.823 kJ/mol #
# Enthalpy of formation: -1878.977 kJ/mol
+1.000H+ +1.000CO3-2 = HCO3-
log_k 10.33 #
delta_h -14.7 kJ/mol #
# Enthalpy of formation: -689.93 kJ/mol 89COX/WAG
+4.000H+ +2.000e- +1.000CO3-2 -2.000H2O = CO
log_k 11.6 #
delta_h -17.39 kJ/mol #
# Enthalpy of formation: -120.96 kJ/mol 82WAG/EVA
+2.000H+ +1.000CO3-2 -1.000H2O = CO2
log_k 16.68 #
delta_h -23.86 kJ/mol #
# Enthalpy of formation: -413.26 kJ/mol 89COX/WAG
+10.000H+ +8.000e- +1.000CO3-2 -3.000H2O = CH4
log_k 38.19 #
delta_h -270.166 kJ/mol #
# Enthalpy of formation: -87.906 kJ/mol 01SCH/SHO
+1.000Ba+2 +1.000H+ +1.000CO3-2 = Ba(HCO3)+
log_k 11.31 #86BUS/PLU
delta_h 8.56 kJ/mol #86BUS/PLU
# Enthalpy of formation: -1201.47 kJ/mol
-1.000H+ +2.000H4(SiO4) -1.000H2O = Si2O2(OH)5-
log_k -8.1 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-3.000H+ +3.000H4(SiO4) -3.000H2O = Si3O6(OH)3-3
log_k -28.6 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-3.000H+ +3.000H4(SiO4) -2.000H2O = Si3O5(OH)5-3
log_k -27.5 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-4.000H+ +4.000H4(SiO4) -4.000H2O = Si4O8(OH)4-4
log_k -36.3 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-3.000H+ +4.000H4(SiO4) -4.000H2O = Si4O7(OH)5-3
log_k -25.5 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-2.000H+ +1.000H4(SiO4) = H2(SiO4)-2
log_k -23.14 #92GRE/FUG
delta_h 75 kJ/mol #92GRE/FUG
# Enthalpy of formation: -1386.194 kJ/mol
+1.000H+ +1.000SO4-2 = H(SO4)-
log_k 1.98 #
delta_h 22.44 kJ/mol #
# Enthalpy of formation: -886.9 kJ/mol
+1.000H+ +1.000NH3 = NH4+
log_k 9.23 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: -133.26 kJ/mol 92GRE/FUG
-1.000H+ +1.000H2(PO4)- = HPO4-2
log_k -7.21 #
delta_h 3.6 kJ/mol #
# Enthalpy of formation: -1299 kJ/mol 89COX/WAG
+1.000H+ +1.000H2(PO4)- = H3(PO4)
log_k 2.14 #92GRE/FUG
delta_h 8.48 kJ/mol #
# Enthalpy of formation: -1294.12 kJ/mol
+1.000H+ +1.000Pyrophos-4 = H(Pyrophos)-3
log_k 9.4 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000H+ +1.000Pyrophos-4 = H2(Pyrophos)-2
log_k 16.05 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000H+ +1.000Pyrophos-4 = H3(Pyrophos)-
log_k 18.3 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+4.000H+ +1.000Pyrophos-4 = H4(Pyrophos)
log_k 19.3 #92GRE/FUG
delta_h 6.684 kJ/mol #
# Enthalpy of formation: -2280.21 kJ/mol 92GRE/FUG
-1.000H+ +1.000H4(SiO4) = H3(SiO4)-
log_k -9.84 #06BLA/PIA
delta_h 29.363 kJ/mol #
# Enthalpy of formation: -1431.831 kJ/mol
+1.000H+ +1.000S2O3-2 = H(S2O3)-
log_k 1.72 #04CHI
delta_h 8.253 kJ/mol #
# Enthalpy of formation: -644.033 kJ/mol
+2.000H+ +1.000S2O3-2 = H2(S2O3)
log_k 2.32 #04CHI
delta_h 22.917 kJ/mol #
# Enthalpy of formation: -629.369 kJ/mol
-1.000H+ +1.000Hf+4 +1.000H2O = Hf(OH)+3
log_k -0.2 #01RAI/XIA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-4.000H+ +1.000Hf+4 +4.000H2O = Hf(OH)4
log_k -11.2 #01RAI/XIA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-5.000H+ +1.000Hf+4 +5.000H2O = Hf(OH)5-
log_k -20.3 #01RAI/XIA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-6.000H+ +1.000Hf+4 +6.000H2O = Hf(OH)6-2
log_k -32.8 #01RAI/XIA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+4.000CO3-2 +1.000Hf+4 = Hf(CO3)4-4
log_k 42.9 #analogy with Zr
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NO3- +1.000Hf+4 = HfNO3+3
log_k 1.85 #65DES/KHO 69HAL/SMO recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000NO3- +1.000Hf+4 = Hf(NO3)2+2
log_k 2.49 #65DES/KHO recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000SO4-2 +1.000Hf+4 = HfSO4+2
log_k 6.06 #65DES/KHO recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000SO4-2 +1.000Hf+4 = Hf(SO4)2
log_k 10.11 #65DES/KHO recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000F- +1.000Hf+4 = HfF+3
log_k 9.29 #05SAW/THA and others recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000F- +1.000Hf+4 = HfF2+2
log_k 17.85 #05SAW/THA and others recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000F- +1.000Hf+4 = HfF3+
log_k 25.08 #05SAW/THA and others recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+4.000F- +1.000Hf+4 = HfF4
log_k 31.41 #05SAW/THA and others recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cl- +1.000Hf+4 = HfCl+3
log_k 2.2 #65DES/KHO and others recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000Cl- +1.000Hf+4 = HfCl2+2
log_k 2.05 #65DES/KHO and others recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Br- +1.000Hf+4 = HfBr+3
log_k 0.38 #67HAL/POH recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000I- +1.000Hf+4 = HfI+3
log_k 0.02 #67HAL/POH recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-2.000H+ -2.000e- +1.000Sb(OH)3 +2.000H2O = Sb(OH)5
log_k -21.74 #99LOT/OCH recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000H+ +1.000Sb(OH)3 -3.000H2O = Sb+3
log_k -0.73 #99LOT/OCH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000H+ +1.000Sb(OH)3 -2.000H2O = Sb(OH)+2
log_k 0.74 #99LOT/OCH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H+ +1.000Sb(OH)3 -1.000H2O = Sb(OH)2+
log_k 1.33 #77ANT/NET and others recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-1.000H+ +1.000Sb(OH)3 +1.000H2O = Sb(OH)4-
log_k -11.82 #52GAY/GAR recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000H+ +4.000HS- +2.000Sb(OH)3 -6.000H2O = Sb2S4-2
log_k 43.38 #88KRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000H+ +4.000HS- +2.000Sb(OH)3 -6.000H2O = Sb2HS4-
log_k 52.9 #88KRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+4.000H+ +4.000HS- +2.000Sb(OH)3 -6.000H2O = Sb2H2S4
log_k 57.81 #88KRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000H+ +1.000F- +1.000Sb(OH)3 -3.000H2O = SbF+2
log_k 6.37 #70BON recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000H+ +2.000F- +1.000Sb(OH)3 -3.000H2O = SbF2+
log_k 12.42 #70BON recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000H+ +3.000F- +1.000Sb(OH)3 -3.000H2O = SbF3
log_k 18.2 #70BON recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000H+ +1.000Cl- +1.000Sb(OH)3 -3.000H2O = SbCl+2
log_k 2.8 #70BON/WAU and others recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000H+ +2.000Cl- +1.000Sb(OH)3 -3.000H2O = SbCl2+
log_k 3.27 #70BON/WAU and others recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H+ +1.000Sb(OH)5 -1.000H2O = Sb(OH)4+
log_k -3.26 #57PIT/POU in 99LOT/OCH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H+ +1.000SO3-2 = H(SO3)-
log_k 7.17 #85GOL/PAR
delta_h 3.668 kJ/mol #
# Enthalpy of formation: -627.392 kJ/mol
+2.000H+ +1.000SO3-2 = H2(SO3)
log_k 9.03 #85GOL/PAR
delta_h 21.453 kJ/mol #
# Enthalpy of formation: -609.607 kJ/mol
+1.000H+ +1.000AsO4-3 = H(AsO4)-2
log_k 11.6 #
delta_h -18.2 kJ/mol #
# Enthalpy of formation: -906.34 kJ/mol 01LEM/FUG
+2.000H+ +1.000AsO4-3 = H2(AsO4)-
log_k 18.37 #
delta_h -21.42 kJ/mol #
# Enthalpy of formation: -909.56 kJ/mol 01LEM/FUG
+3.000H+ +1.000AsO4-3 = H3(AsO4)
log_k 20.63 #
delta_h -14.36 kJ/mol #
# Enthalpy of formation: -902.5 kJ/mol 01LEM/FUG
+1.000H+ +1.000SeO3-2 = H(SeO3)-
log_k 8.36 #05OLI/NOL
delta_h -5.17 kJ/mol #
# Enthalpy of formation: -512.33 kJ/mol 05OLI/NOL
+2.000H+ +1.000SeO3-2 = H2(SeO3)
log_k 11 #05OLI/NOL
delta_h 1.84 kJ/mol #
# Enthalpy of formation: -505.32 kJ/mol 05OLI/NOL
+1.000H+ +1.000SeO4-2 = H(SeO4)-
log_k 1.75 #05OLI/NOL
delta_h 20.8 kJ/mol #05OLI/NOL
# Enthalpy of formation: -582.7 kJ/mol
+1.000H+ +1.000HSe- = H2Se
log_k 3.85 #
delta_h 0 kJ/mol #
# Enthalpy of formation: 14.3 kJ/mol 05OLI/NOL
-1.000H+ +1.000H2O = OH-
log_k -14 #
delta_h 55.815 kJ/mol #
# Enthalpy of formation: -230.015 kJ/mol 89COX/WAG
+1.000Hg+2 +2.000SeO3-2 = Hg(SeO3)2-2
log_k 14.85 #05OLI/NOL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H+ +2.000B(OH)4- -4.000H2O = HB2O4-
log_k 9.17 #97CRO
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000H+ +3.000B(OH)4- -7.000H2O = B3O5-
log_k 20.9 #97CRO
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000H+ +4.000B(OH)4- -9.000H2O = B4O7-2
log_k 21.9 #97CRO
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H+ +1.000B(OH)4- -1.000H2O = B(OH)3
log_k 9.24 #
delta_h -13.514 kJ/mol #
# Enthalpy of formation: -1072.8 kJ/mol 01LEM/FUG
+1.000Cu+2 +1.000B(OH)4- = Cu(B(OH)4)+
log_k 7.13 #80BAS
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cu+2 +2.000B(OH)4- = Cu(B(OH)4)2
log_k 12.45 #80BAS
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cu+2 +3.000B(OH)4- = Cu(B(OH)4)3-
log_k 15.17 #80BAS
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +1.000B(OH)4- = Fe(B(OH)4)+2
log_k 8.58 #80BAS
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Fe+3 +2.000B(OH)4- = Fe(B(OH)4)2+
log_k 15.54 #80BAS
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pb+2 +1.000B(OH)4- = Pb(B(OH)4)+
log_k 5.2 #80BAS
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pb+2 +3.000B(OH)4- = Pb(B(OH)4)3-
log_k 11.18 #80BAS
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ba+2 +1.000B(OH)4- = BaB(OH)4+
log_k 1.49 #80BAS
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sr+2 +1.000B(OH)4- = SrB(OH)4+
log_k 1.55 #80BAS
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H+ +1.000F- +1.000B(OH)4- -1.000H2O = BF(OH)3-
log_k 8.94 #77NOR/JEN
delta_h -39.078 kJ/mol #77NOR/JEN
# Enthalpy of formation: -1433.714 kJ/mol
+2.000H+ +2.000F- +1.000B(OH)4- -2.000H2O = BF2(OH)2-
log_k 16.97 #77NOR/JEN
delta_h -38.702 kJ/mol #77NOR/JEN
# Enthalpy of formation: -1482.858 kJ/mol
+3.000H+ +3.000F- +1.000B(OH)4- -3.000H2O = BF3(OH)-
log_k 23.01 #77NOR/JEN
delta_h -38.326 kJ/mol #77NOR/JEN
# Enthalpy of formation: -1532.002 kJ/mol
+4.000H+ +4.000F- +1.000B(OH)4- -4.000H2O = BF4-
log_k 29.62 #77NOR/JEN
delta_h 73.68 kJ/mol #77NOR/JEN
# Enthalpy of formation: -1616.876 kJ/mol
+2.000H+ +2.000SO3-2 -1.000H2O = S2O5-2
log_k 12.85 #85GOL/PAR
delta_h 2.606 kJ/mol #
# Enthalpy of formation: -973.684 kJ/mol
+1.000Sn+2 -2.000e- = Sn+4
log_k -5.07 #calculated from 34HUE/TAR, 79VAS/GLA
delta_h 39.4 kJ/mol #
# Enthalpy of formation: 30.5 kJ/mol 82WAG/EVA
+6.000Pb+2 -8.000H+ +8.000H2O = Pb6(OH)8+4
log_k -42.68 #99LOT/OCH
delta_h 192.157 kJ/mol #
# Enthalpy of formation: -2088.963 kJ/mol
+1.000H+ +1.000MoO4-2 = HMoO4-
log_k 4.11 #68SAS/SIL, 64AVE/ANA
delta_h 58.576 kJ/mol #68ARN/SZI in 76BAE/MES
# Enthalpy of formation: -938.424 kJ/mol
+2.000H+ +1.000MoO4-2 = H2MoO4
log_k 8.15 #68SAS/SIL, 64AVE/ANA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+8.000H+ +7.000MoO4-2 -4.000H2O = Mo7O24-6
log_k 50.35 #68SAS/SIL, 64AVE/ANA
delta_h -234.304 kJ/mol #68ARN/SZI in 76BAE/MES
# Enthalpy of formation: -6069.984 kJ/mol
+9.000H+ +7.000MoO4-2 -4.000H2O = Mo7O23(OH)-5
log_k 57.21 #68SAS/SIL, 64AVE/ANA
delta_h -223.426 kJ/mol #68ARN/SZI in 76BAE/MES
# Enthalpy of formation: -6059.106 kJ/mol
+10.000H+ +7.000MoO4-2 -4.000H2O = Mo7O22(OH)2-4
log_k 62.71 #68SAS/SIL, 64AVE/ANA
delta_h -220.079 kJ/mol #68ARN/SZI in 76BAE/MES
# Enthalpy of formation: -6055.759 kJ/mol
+11.000H+ +7.000MoO4-2 -4.000H2O = Mo7O21(OH)3-3
log_k 66.48 #68SAS/SIL, 64AVE/ANA
delta_h -222.589 kJ/mol #68ARN/SZI in 76BAE/MES
# Enthalpy of formation: -6058.269 kJ/mol
+34.000H+ +19.000MoO4-2 -17.000H2O = Mo19O59-4
log_k 196.3 #68SAS/SIL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+5.000H+ +2.000MoO4-2 -2.000H2O = Mo2O5(OH)+
log_k 19 #68SAS/SIL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+8.000H+ +3.000e- +1.000MoO4-2 -4.000H2O = Mo+3
log_k 21.76 #68SAS/SIL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000H+ +2.000e- +1.000AsO4-3 -1.000H2O = H(AsO3)-2
log_k 19.8 #
delta_h -86.969 kJ/mol #
# Enthalpy of formation: -689.279 kJ/mol
+4.000H+ +2.000e- +1.000AsO4-3 -1.000H2O = H2(AsO3)-
log_k 30.81 #
delta_h -112.48 kJ/mol #
# Enthalpy of formation: -714.79 kJ/mol 01LEM/FUG
+5.000H+ +2.000e- +1.000AsO4-3 -1.000H2O = H3(AsO3)
log_k 40.02 #
delta_h -139.89 kJ/mol #
# Enthalpy of formation: -742.2 kJ/mol 01LEM/FUG
+1.000Pb+2 +1.000SeO3-2 = Pb(SeO3)
log_k 5.73 #01SEB/POT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000e- +1.000TcO4- = TcO4-2
log_k -10.8 #99RAR/RAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-1.000H+ +1.000HSe- = Se-2
log_k -14.91 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-4.000H+ -6.000e- +4.000HSe- = Se4-2
log_k 13.38 #05OLI/NOL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-2.000H+ -2.000e- +2.000HSe- = Se2-2
log_k -4.5 #05OLI/NOL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-3.000H+ -4.000e- +3.000HSe- = Se3-2
log_k 5.24 #05OLI/NOL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-1.000H+ -2.000e- +1.000Cn- +1.000HSe- = SeCn-
log_k 13.03 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Hg+2 -2.000H+ -4.000e- +2.000Cn- +2.000HSe- = Hg(SeCn)2
log_k 48.35 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Hg+2 -3.000H+ -6.000e- +3.000Cn- +3.000HSe- = Hg(SeCn)3-
log_k 65.88 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Hg+2 -4.000H+ -8.000e- +4.000Cn- +4.000HSe- = Hg(SeCn)4-2
log_k 81.41 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ag+ -3.000H+ -6.000e- +3.000Cn- +3.000HSe- = Ag(SeCn)3-2
log_k 52.93 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 -1.000H+ -2.000e- +1.000Cn- +1.000HSe- = Ni(SeCn)+
log_k 14.8 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ni+2 -2.000H+ -4.000e- +2.000Cn- +2.000HSe- = Ni(SeCn)2
log_k 28.29 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Co+2 -1.000H+ -2.000e- +1.000Cn- +1.000HSe- = Co(SeCn)+
log_k 14.53 #75SAT/SAH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 +1.000SeO4-2 = UO2(SeO4)
log_k 2.74 #05OLI/NOL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+9.000H+ +8.000e- +1.000SeO4-2 -4.000H2O = HSe-
log_k 81.57 #
delta_h -525.52 kJ/mol #
# Enthalpy of formation: 14.3 kJ/mol 05OLI/NOL
+1.000Ca+2 +1.000SeO4-2 = Ca(SeO4)
log_k 2 #05OLI/NOL
delta_h 1.475 kJ/mol #
# Enthalpy of formation: -1145.025 kJ/mol
+1.000Ag+ +1.000SeO3-2 = Ag(SeO3)-
log_k 3.2 #Data from 68MEH and 69MEH/GUB in 05OLI/NOL corrected to I=0 by DH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000H2O -4.000e- -4.000H+ = O2
log_k -85.98 #89COX/WAG
delta_h 559.526 kJ/mol #
# Enthalpy of formation: -12.134 kJ/mol 01SCH/SHO
-1.000H+ +1.000Rb+ +1.000H2O = RbOH
log_k -14.26 #
delta_h 64.158 kJ/mol #
# Enthalpy of formation: -472.792 kJ/mol 97SHO/SAS
+1.000F- +1.000Rb+ = RbF
log_k 0.94 #
delta_h 1.923 kJ/mol #
# Enthalpy of formation: -584.547 kJ/mol 97SVE/SHO
+1.000Cl- +1.000Rb+ = RbCl
log_k -1.01 #
delta_h 13.189 kJ/mol #
# Enthalpy of formation: -405.011 kJ/mol 97SVE/SHO
+1.000Br- +1.000Rb+ = RbBr
log_k -1.24 #
delta_h 13.836 kJ/mol #
# Enthalpy of formation: -358.694 kJ/mol 97SVE/SHO
+1.000I- +1.000Rb+ = RbI
log_k -0.84 #
delta_h 6.987 kJ/mol #
# Enthalpy of formation: -300.913 kJ/mol 97SVE/SHO
-4.000H+ -1.000e- +1.000Pa+4 +2.000H2O = PaO2+
log_k 4.22 #85BAR/PAR, 76BAE/MES
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-1.000H+ +1.000Pa+4 +1.000H2O = Pa(OH)+3
log_k 0.84 #76BAE/MES
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-2.000H+ +1.000Pa+4 +2.000H2O = Pa(OH)2+2
log_k -0.02 #76BAE/MES
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-3.000H+ +1.000Pa+4 +3.000H2O = Pa(OH)3+
log_k -1.5 #76BAE/MES
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H+ +1.000PaO2+ = PaO(OH)+2
log_k 1.25 #Original data 03TRU/LEN and 04FOU/PER
delta_h -5.7 kJ/mol #03TRU/LEN
# Enthalpy of formation: kJ/mol
-1.000H+ +1.000PaO2+ +1.000H2O = PaO2(OH)
log_k -7 #Original data 03TRU/LEN and 04FOU/PER
delta_h 61 kJ/mol #03TRU/LEN
# Enthalpy of formation: kJ/mol
+2.000H+ +1.000SO4-2 +1.000PaO2+ -1.000H2O = PaO(SO4)+
log_k 5.13 #07GIA/TRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000H+ +2.000SO4-2 +1.000PaO2+ -1.000H2O = PaO(SO4)2-
log_k 8.24 #07GIA/TRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000H+ +3.000SO4-2 +1.000PaO2+ -1.000H2O = PaO(SO4)3-3
log_k 9.83 #07GIA/TRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-2.000H+ +1.000PaO2+ +2.000H2O = PaO2(OH)2-
log_k -16.4 #04FOU/PER
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-1.000H+ +1.000Zr+4 +1.000H2O = Zr(OH)+3
log_k 0.32 #05BRO/CUR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-2.000H+ +1.000Zr+4 +2.000H2O = Zr(OH)2+2
log_k 0.98 #05BRO/CUR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-4.000H+ +1.000Zr+4 +4.000H2O = Zr(OH)4
log_k -2.19 #05BRO/CUR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-6.000H+ +1.000Zr+4 +6.000H2O = Zr(OH)6-2
log_k -29 #05BRO/CUR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-15.000H+ +4.000Zr+4 +15.000H2O = Zr4(OH)15+
log_k 12.58 #05BRO/CUR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-16.000H+ +4.000Zr+4 +16.000H2O = Zr4(OH)16
log_k 8.39 #05BRO/CUR
delta_h 301.12 kJ/mol #
# Enthalpy of formation: -6706.16 kJ/mol 05BRO/CUR
+1.000NO3- +1.000Zr+4 = ZrNO3+3
log_k 1.59 #05BRO/CUR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000NO3- +1.000Zr+4 = Zr(NO3)2+2
log_k 2.64 #05BRO/CUR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000SO4-2 +1.000Zr+4 = ZrSO4+2
log_k 7.04 #05BRO/CUR
delta_h 36.94 kJ/mol #
# Enthalpy of formation: -1480.9 kJ/mol 05BRO/CUR
+1.000F- +1.000Zr+4 = ZrF+3
log_k 10.12 #05BRO/CUR
delta_h -17.5 kJ/mol #05BRO/CUR
# Enthalpy of formation: -961.35 kJ/mol
+2.000F- +1.000Zr+4 = ZrF2+2
log_k 18.55 #05BRO/CUR
delta_h -16.8 kJ/mol #05BRO/CUR
# Enthalpy of formation: -1296 kJ/mol
+3.000F- +1.000Zr+4 = ZrF3+
log_k 24.72 #05BRO/CUR
delta_h -11.2 kJ/mol #05BRO/CUR
# Enthalpy of formation: -1625.75 kJ/mol
+4.000F- +1.000Zr+4 = ZrF4
log_k 30.11 #05BRO/CUR
delta_h -22 kJ/mol #05BRO/CUR
# Enthalpy of formation: -1971.9 kJ/mol
+5.000F- +1.000Zr+4 = ZrF5-
log_k 34.6 #05BRO/CUR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+6.000F- +1.000Zr+4 = ZrF6-2
log_k 38.11 #05BRO/CUR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cl- +1.000Zr+4 = ZrCl+3
log_k 1.59 #05BRO/CUR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000Cl- +1.000Zr+4 = ZrCl2+2
log_k 2.17 #05BRO/CUR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-4.000H+ +3.000Zr+4 +4.000H2O = Zr3(OH)4+8
log_k 0.4 #05BRO/CUR
delta_h -1.98 kJ/mol #
# Enthalpy of formation: -2970.8 kJ/mol 05BRO/CUR
+4.000CO3-2 +1.000Zr+4 = Zr(CO3)4-4
log_k 42.9 #05BRO/CUR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000SO4-2 +1.000Zr+4 = Zr(SO4)2
log_k 11.54 #05BRO/CUR
delta_h 67.38 kJ/mol #
# Enthalpy of formation: -2359.8 kJ/mol 05BRO/CUR
+3.000SO4-2 +1.000Zr+4 = Zr(SO4)3-2
log_k 14.3 #05BRO/CUR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-1.000H+ +1.000Sb(OH)5 +1.000H2O = Sb(OH)6-
log_k -2.72 #63LEF/MAR in 76BAE/MES
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-4.000H+ +12.000Sb(OH)5 +4.000H2O = Sb12(OH)64-4
log_k 20.34 #63LEF/MAR in 76BAE/MES
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-5.000H+ +12.000Sb(OH)5 +5.000H2O = Sb12(OH)65-5
log_k 16.72 #63LEF/MAR in 76BAE/MES
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-6.000H+ +12.000Sb(OH)5 +6.000H2O = Sb12(OH)66-6
log_k 11.89 #63LEF/MAR in 76BAE/MES
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-7.000H+ +12.000Sb(OH)5 +7.000H2O = Sb12(OH)67-7
log_k 6.07 #63LEF/MAR in 76BAE/MES
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-1.000H+ +1.000Cm+3 +1.000H2O = Cm(OH)+2
log_k -7.2 #03GUI/FAN
delta_h 79.365 kJ/mol #
# Enthalpy of formation: -821.465 kJ/mol
-2.000H+ +1.000Cm+3 +2.000H2O = Cm(OH)2+
log_k -15.1 #03GUI/FAN
delta_h 144.956 kJ/mol #
# Enthalpy of formation: -1041.704 kJ/mol
-3.000H+ +1.000Cm+3 +3.000H2O = Cm(OH)3
log_k -26.2 #03GUI/FAN
delta_h 231.675 kJ/mol #
# Enthalpy of formation: -1240.815 kJ/mol
+1.000CO3-2 +1.000Cm+3 = CmCO3+
log_k 7.9 #06DUR/CER
delta_h 153.982 kJ/mol #
# Enthalpy of formation: -1136.248 kJ/mol
+2.000CO3-2 +1.000Cm+3 = Cm(CO3)2-
log_k 12.6 #06DUR/CER
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000CO3-2 +1.000Cm+3 = Cm(CO3)3-3
log_k 14.6 #06DUR/CER
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H+ +1.000CO3-2 +1.000Cm+3 = CmHCO3+2
log_k 13.43 #03GUI/FAN, same as Am
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-1.000H+ +1.000H4(SiO4) +1.000Cm+3 = CmSiO(OH)3+2
log_k -2.31 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NO3- +1.000Cm+3 = CmNO3+2
log_k 1.33 #95SIL/BID
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-2.000H+ +1.000H2(PO4)- +1.000Cm+3 = CmPO4
log_k -7.66 #estimated by correlation with Ln(III)
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-4.000H+ +2.000H2(PO4)- +1.000Cm+3 = Cm(PO4)2-3
log_k -19.23 #estimated by corrlation with Ln(III)
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-1.000H+ +1.000H2(PO4)- +1.000Cm+3 = Cm(HPO4)+
log_k -1.7 #estimated by correlation with Ln(III)
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-2.000H+ +2.000H2(PO4)- +1.000Cm+3 = Cm(HPO4)2-
log_k -5.21 #estimated by correlation with Ln(III)
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-4.000H+ +1.000Cm+3 +4.000H2O = Cm(OH)4-
log_k -40.7 #07NEC/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000SO4-2 +1.000Cm+3 = CmSO4+
log_k 3.3 #03GUI/FAN, same as Am
delta_h 15.64 kJ/mol #
# Enthalpy of formation: -1508.7 kJ/mol estimated by analogy with Ln
+2.000SO4-2 +1.000Cm+3 = Cm(SO4)2-
log_k 3.7 #03GUI/FAN, same as Am
delta_h 20.88 kJ/mol #
# Enthalpy of formation: -2412.8 kJ/mol estimated by analogy with Ln
+1.000F- +1.000Cm+3 = CmF+2
log_k 3.4 #03GUI/FAN, same as Am
delta_h 25.613 kJ/mol #
# Enthalpy of formation: -924.737 kJ/mol
+2.000F- +1.000Cm+3 = CmF2+
log_k 5.8 #03GUI/FAN, same as Am
delta_h 20.62 kJ/mol #
# Enthalpy of formation: -1265.08 kJ/mol
+3.000F- +1.000Cm+3 = CmF3
log_k 11.18 #69AZI/LYL
delta_h -15.485 kJ/mol #
# Enthalpy of formation: -1636.535 kJ/mol
+1.000Cl- +1.000Cm+3 = CmCl+2
log_k 0.24 #03GUI/FAN, same as Am
delta_h 22.512 kJ/mol #
# Enthalpy of formation: -759.568 kJ/mol
+2.000Cl- +1.000Cm+3 = CmCl2+
log_k -0.74 #03GUI/FAN, same as Am
delta_h 41.165 kJ/mol #
# Enthalpy of formation: -907.995 kJ/mol
+1.000H2(PO4)- +1.000Cm+3 = Cm(H2PO4)+2
log_k 2.4 #estimated by correlation with Ln(III)
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000H+ +1.000S2O4-2 = H2S2O4
log_k 2.8 #04CHI
delta_h 20.207 kJ/mol #
# Enthalpy of formation: -733.293 kJ/mol
+1.000H+ +1.000S2O4-2 = HS2O4-
log_k 2.5 #04CHI
delta_h 3.834 kJ/mol #
# Enthalpy of formation: -749.666 kJ/mol
+8.000H+ +4.000e- +1.000CrO4-2 -4.000H2O = Cr+2
log_k 67.22 #04CHI
delta_h -421.939 kJ/mol #
# Enthalpy of formation: -157.62 kJ/mol
+8.000H+ +3.000e- +1.000CrO4-2 -4.000H2O = Cr+3
log_k 73.62 #
delta_h -504.82 kJ/mol #
# Enthalpy of formation: -240.5 kJ/mol 04CHI
+1.000H+ +1.000CrO4-2 = HCrO4-
log_k 6.52 #87PAL/WES, 04CHI
delta_h 6.016 kJ/mol #
# Enthalpy of formation: -872.984 kJ/mol
+2.000H+ +1.000CrO4-2 = H2CrO4
log_k 6.32 #76BAE/MES, 04CHI
delta_h 39.596 kJ/mol #
# Enthalpy of formation: -839.404 kJ/mol
+2.000H+ +2.000CrO4-2 -1.000H2O = Cr2O7-2
log_k 14.75 #87PAL/WES, 04CHI
delta_h -3.752 kJ/mol #
# Enthalpy of formation: -1475.923 kJ/mol
+1.000H+ +1.000H2(PO4)- +1.000CrO4-2 -1.000H2O = HCrPO7-2
log_k 6.37 #
delta_h -36.39 kJ/mol #
# Enthalpy of formation: -1932.16 kJ/mol 76DEL/HEP
+2.000H+ +1.000H2(PO4)- +1.000CrO4-2 -1.000H2O = H2CrPO7-
log_k 9.02 #
delta_h -51.49 kJ/mol #
# Enthalpy of formation: -1947.26 kJ/mol 76DEL/HWP
+2.000H+ +1.000Cl- +1.000CrO4-2 -1.000H2O = CrO3Cl-
log_k 8.08 #
delta_h 5.5 kJ/mol #
# Enthalpy of formation: -754.8 kJ/mol 76DEL/HEP
-1.000H+ +1.000Cr+2 +1.000H2O = Cr(OH)+
log_k -5.3 #83MIC/DEB, 04CHI
delta_h 30.327 kJ/mol #
# Enthalpy of formation: -413.123 kJ/mol
+1.000Cl- +1.000Cr+2 = CrCl+
log_k 5.6 #91ALL/BRO
delta_h -20.2 kJ/mol #91ALL/BRO
# Enthalpy of formation: -344.9 kJ/mol
-1.000H+ +1.000Cr+3 +1.000H2O = Cr(OH)+2
log_k -3.57 #87RAI/SAS, 04CHI
delta_h 38.079 kJ/mol #
# Enthalpy of formation: -488.251 kJ/mol
-2.000H+ +1.000Cr+3 +2.000H2O = Cr(OH)2+
log_k -9.84 #87RAI/SAS, 04CHI
delta_h 98.567 kJ/mol #
# Enthalpy of formation: -713.593 kJ/mol
-3.000H+ +1.000Cr+3 +3.000H2O = Cr(OH)3
log_k -16.19 #87RAI/SAS, 04CHI
delta_h 154.249 kJ/mol #
# Enthalpy of formation: -943.74 kJ/mol
-4.000H+ +1.000Cr+3 +4.000H2O = Cr(OH)4-
log_k -27.65 #87RAI/SAS, 04CHI
delta_h 203.822 kJ/mol #
# Enthalpy of formation: -1179.997 kJ/mol
-2.000H+ +2.000Cr+3 +2.000H2O = Cr2(OH)2+4
log_k -5 #87RAI/SAS, 04CHI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-4.000H+ +3.000Cr+3 +4.000H2O = Cr3(OH)4+5
log_k -10.75 #87RAI/SAS, 04CHI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-1.000H+ +1.000H2(PO4)- +1.000Cr+3 = Cr(HPO4)+
log_k 2.25 #76ALE/MAS
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H2(PO4)- +1.000Cr+3 = Cr(H2PO4)+2
log_k 2.56 #66LAH/ADI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-3.000H+ +1.000H2(PO4)- +1.000Cr+3 +3.000H2O = Cr(OH)3(H2PO4)-
log_k -7.87 #98ZIE/JON
delta_h 12.2 kJ/mol #98ZIE/JON
# Enthalpy of formation: -2388.42 kJ/mol
-4.000H+ +1.000H2(PO4)- +1.000Cr+3 +3.000H2O = Cr(OH)3(HPO4)-2
log_k -17.92 #98ZIE/JON
delta_h 13.9 kJ/mol #98ZIE/JON
# Enthalpy of formation: -2386.7 kJ/mol
-5.000H+ +1.000H2(PO4)- +1.000Cr+3 +3.000H2O = Cr(OH)3(PO4)-3
log_k -30.39 #98ZIE/JON
delta_h 23.8 kJ/mol #98ZIE/JON
# Enthalpy of formation: -2376.8 kJ/mol
-5.000H+ +2.000H2(PO4)- +1.000Cr+3 +4.000H2O = Cr(OH)4(HPO4)(H2PO4)-4
log_k -28.76 #98ZIE/JON
delta_h 14 kJ/mol #98ZIE/JON
# Enthalpy of formation: -3975.04 kJ/mol
+1.000SO4-2 +1.000Cr+3 = CrSO4+
log_k 4.61 #81TUR/WHI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Cl- +1.000Cr+3 = CrCl+2
log_k 0.62 #64SIL/MAR
delta_h 20.92 kJ/mol #64SIL/MAR
# Enthalpy of formation: -386.66 kJ/mol
+2.000Cl- +1.000Cr+3 = CrCl2+
log_k -0.71 #64SIL/MAR
delta_h 20.92 kJ/mol #64SIL/MAR
# Enthalpy of formation: -553.74 kJ/mol
-1.000H+ +2.000Cl- +1.000Cr+3 +1.000H2O = Cr(OH)Cl2
log_k -5.73 #
delta_h 32.72 kJ/mol #
# Enthalpy of formation: -827.77 kJ/mol 76DEL/HEP
+1.000Br- +1.000Cr+3 = CrBr+2
log_k -0.62 #
delta_h 22.6 kJ/mol #
# Enthalpy of formation: -339.322 kJ/mol 76DEL/HEP
+1.000F- +1.000Cr+3 = CrF+2
log_k 5.21 #81TUR/WHI
delta_h -2.51 kJ/mol #53HEP/JOL
# Enthalpy of formation: -578.36 kJ/mol
+2.000F- +1.000Cr+3 = CrF2+
log_k 9.31 #81TUR/WHI
delta_h -0.418 kJ/mol #53HEP/JOL
# Enthalpy of formation: -911.618 kJ/mol
+3.000F- +1.000Cr+3 = CrF3
log_k 11.91 #81TUR/WHI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+2 +2.000I- = SnI2
log_k 2.69 #68HAI/JOH recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+4 -6.000H+ +6.000H2O = Sn(OH)6-2
log_k -18.88 #98ODA/AMA in 99LOT/OCH recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sn+4 -5.000H+ +5.000H2O = Sn(OH)5-
log_k -8.46 #98ODA/AMA in 99 LOT/OCH recalculated
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 -1.000H+ +1.000H2O = Th(OH)+3
log_k -2.5 #09RAN/FUG
delta_h 44.2 kJ/mol #09RAN/FUG
# Enthalpy of formation: -1010.33 kJ/mol
+1.000Th+4 -2.000H+ +2.000H2O = Th(OH)2+2
log_k -6.2 #09RAN/FUG
delta_h 85.7 kJ/mol #09RAN/FUG
# Enthalpy of formation: -1254.66 kJ/mol
+1.000Th+4 -3.000H+ +3.000H2O = Th(OH)3+
log_k -11 #09GRI/RIB
delta_h 125.623 kJ/mol #
# Enthalpy of formation: -1500.554 kJ/mol
+2.000Th+4 -2.000H+ +2.000H2O = Th2(OH)2+6
log_k -5.9 #09RAN/FUG
delta_h 58.3 kJ/mol #09RAN/FUG
# Enthalpy of formation: -2050.76 kJ/mol
+4.000Th+4 -8.000H+ +8.000H2O = Th4(OH)8+8
log_k -20.4 #09RAN/FUG
delta_h 243 kJ/mol #09RAN/FUG
# Enthalpy of formation: -5118.44 kJ/mol
+1.000Th+4 +1.000F- = ThF+3
log_k 8.87 #09RAN/FUG
delta_h -0.4 kJ/mol #09RAN/FUG
# Enthalpy of formation: -1104.45 kJ/mol
+1.000Th+4 +2.000F- = ThF2+2
log_k 15.63 #09RAN/FUG
delta_h -3.3 kJ/mol #09RAN/FUG
# Enthalpy of formation: -1442.7 kJ/mol
+1.000Th+4 +3.000F- = ThF3+
log_k 20.67 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +4.000F- = ThF4
log_k 25.58 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +1.000Cl- = ThCl+3
log_k 1.7 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +1.000SO4-2 = Th(SO4)+2
log_k 6.17 #09RAN/FUG
delta_h 20.92 kJ/mol #09RAN/FUG
# Enthalpy of formation: -1657.12 kJ/mol
+1.000Th+4 +2.000SO4-2 = Th(SO4)2
log_k 9.69 #09RAN/FUG
delta_h 40.38 kJ/mol #09RAN/FUG
# Enthalpy of formation: -2547 kJ/mol
+1.000Th+4 +1.000NO3- = Th(NO3)+3
log_k 1.3 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +5.000CO3-2 = Th(CO3)5-6
log_k 31 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+6.000Th+4 -15.000H+ +15.000H2O = Th6(OH)15+9
log_k -36.8 #09RAN/FUG
delta_h 472.8 kJ/mol #09RAN/FUG
# Enthalpy of formation: -8426.85 kJ/mol
+1.000Th+4 -3.000H+ +1.000CO3-2 +3.000H2O = Th(OH)3(CO3)-
log_k -3.7 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 -4.000H+ +4.000H2O = Th(OH)4
log_k -17.4 #09RAN/FUG
delta_h 152.688 kJ/mol #
# Enthalpy of formation: -1759.319 kJ/mol
+1.000UO2+2 -1.000H+ +1.000H2O = UO2(OH)+
log_k -5.25 #03GUI/FAN
delta_h 43.458 kJ/mol #
# Enthalpy of formation: -1261.372 kJ/mol
+2.000UO2+2 -1.000H+ +1.000H2O = (UO2)2(OH)+3
log_k -2.7 #92GRE/FUG
delta_h 14.354 kJ/mol #
# Enthalpy of formation: -2309.476 kJ/mol
+2.000UO2+2 -2.000H+ +2.000H2O = (UO2)2(OH)2+2
log_k -5.62 #92GRE/FUG
delta_h 37.595 kJ/mol #
# Enthalpy of formation: -2572.065 kJ/mol
+3.000UO2+2 -5.000H+ +5.000H2O = (UO2)3(OH)5+
log_k -15.55 #92GRE/FUG
delta_h 97.063 kJ/mol #
# Enthalpy of formation: -4389.086 kJ/mol
+3.000UO2+2 -7.000H+ +7.000H2O = (UO2)3(OH)7-
log_k -32.2 #92SAN/BRU
delta_h 229.868 kJ/mol #
# Enthalpy of formation: -4827.942 kJ/mol
+1.000UO2+2 -2.000H+ +2.000H2O = UO2(OH)2
log_k -12.15 #03GUI/FAN
delta_h 111.16 kJ/mol #
# Enthalpy of formation: -1479.5 kJ/mol 82WAG/EVA
+1.000UO2+2 -3.000H+ +3.000H2O = UO2(OH)3-
log_k -20.25 #03GUI/FAN
delta_h 148.06 kJ/mol #Estimated by linear correlations
# Enthalpy of formation: -1728.43 kJ/mol
+1.000UO2+2 -4.000H+ +4.000H2O = UO2(OH)4-2
log_k -32.4 #03GUI/FAN
delta_h 156.138 kJ/mol #
# Enthalpy of formation: -2006.182 kJ/mol
+1.000UO2+2 +1.000SO4-2 = UO2(SO4)
log_k 3.15 #03GUI/FAN
delta_h 19.5 kJ/mol #03GUI/FAN
# Enthalpy of formation: -1908.84 kJ/mol
+1.000UO2+2 +2.000SO4-2 = UO2(SO4)2-2
log_k 4.14 #03GUI/FAN
delta_h 35.1 kJ/mol #03GUI/FAN
# Enthalpy of formation: -2802.58 kJ/mol
+1.000UO2+2 +1.000Cl- = UO2Cl+
log_k 0.17 #92GRE/FUG
delta_h 8 kJ/mol #92GRE/FUG
# Enthalpy of formation: -1178.08 kJ/mol
+1.000UO2+2 +2.000Cl- = UO2Cl2
log_k -1.1 #92GRE/FUG
delta_h 15 kJ/mol #92GRE/FUG
# Enthalpy of formation: -1338.16 kJ/mol
+1.000UO2+2 +1.000F- = UO2F+
log_k 5.16 #03GUI/FAN
delta_h 1.7 kJ/mol #92GRE/FUG
# Enthalpy of formation: -1352.65 kJ/mol
+1.000UO2+2 +2.000F- = UO2F2
log_k 8.83 #03GUI/FAN
delta_h 2.1 kJ/mol #92GRE/FUG
# Enthalpy of formation: -1687.6 kJ/mol
+1.000UO2+2 +3.000F- = UO2F3-
log_k 10.9 #03GUI/FAN
delta_h 2.35 kJ/mol #92GRE/FUG
# Enthalpy of formation: -2022.7 kJ/mol
+1.000UO2+2 +4.000F- = UO2F4-2
log_k 11.84 #03GUI/FAN
delta_h 0.29 kJ/mol #92GRE/FUG
# Enthalpy of formation: -2360.11 kJ/mol
+1.000UO2+2 +1.000Br- = UO2Br+
log_k 0.22 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 +1.000NO3- = UO2(NO3)+
log_k 0.3 #92GRE/FUG
delta_h 3.9 kJ/mol #08RAO/TIA
# Enthalpy of formation: -1221.95 kJ/mol
+1.000UO2+2 +2.000CO3-2 = UO2(CO3)2-2
log_k 16.61 #03GUI/FAN
delta_h 18.5 kJ/mol #92GRE/FUG
# Enthalpy of formation: -2350.96 kJ/mol
+1.000UO2+2 +3.000CO3-2 = UO2(CO3)3-4
log_k 21.84 #03GUI/FAN
delta_h -39.2 kJ/mol #
# Enthalpy of formation: -3083.89 kJ/mol
+1.000UO2+2 +1.000S2O3-2 = UO2(S2O3)
log_k 2.8 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000UO2+2 +6.000CO3-2 = (UO2)3(CO3)6-6
log_k 54 #92GRE/FUG
delta_h -62.7 kJ/mol #92GRE/FUG
# Enthalpy of formation: -7171.08 kJ/mol
+1.000UO2+2 +1.000CO3-2 = UO2(CO3)
log_k 9.94 #03GUI/FAN
delta_h 5 kJ/mol #92GRE/FUG
# Enthalpy of formation: -1689.23 kJ/mol
+1.000UO2+2 +1.000H2(PO4)- = UO2(H2PO4)+
log_k 3.26 #92GRE/FUG
delta_h -15.34 kJ/mol #
# Enthalpy of formation: -2336.94 kJ/mol
+1.000UO2+2 +2.000H2(PO4)- = UO2(H2PO4)2
log_k 4.92 #92GRE/FUG
delta_h -51.871 kJ/mol #
# Enthalpy of formation: -6902.925 kJ/mol
+1.000UO2+2 -2.000H+ +1.000H2(PO4)- = UO2(PO4)-
log_k -6.33 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 -1.000H+ +1.000H2(PO4)- = UO2(HPO4)
log_k 0.03 #92GRE/FUG
delta_h 2.795 kJ/mol #
# Enthalpy of formation: -4408.507 kJ/mol
+1.000UO2+2 +1.000H+ +1.000H2(PO4)- = UO2(H3PO4)+2
log_k 2.9 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 +1.000H+ +2.000H2(PO4)- = UO2H5(PO4)2+
log_k 5.93 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 +1.000SO3-2 = UO2(SO3)
log_k 6.6 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000UO2+2 +1.000NpO2+2 +6.000CO3-2 = (UO2)2(NpO2)(CO3)6-6
log_k 53.59 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000UO2+2 -3.000H+ +1.000CO3-2 +3.000H2O = (UO2)2(CO3)(OH)3-
log_k -0.86 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+3.000UO2+2 -3.000H+ +1.000CO3-2 +3.000H2O = (UO2)3(CO3)(OH)3+
log_k 0.66 #92GRE/FUG
delta_h 81.159 kJ/mol #
# Enthalpy of formation: -4361.23 kJ/mol
+3.000UO2+2 -4.000H+ +4.000H2O = (UO2)3(OH)4+2
log_k -11.9 #92GRE/FUG
delta_h 84.264 kJ/mol #
# Enthalpy of formation: -4251.906 kJ/mol
+4.000UO2+2 -7.000H+ +7.000H2O = (UO2)4(OH)7+
log_k -21.9 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000PuO2+2 -1.000H+ +1.000H2O = PuO2(OH)+
log_k -5.5 #01LEM/FUG
delta_h 28 kJ/mol #01LEM/FUG
# Enthalpy of formation: -1079.866 kJ/mol
+1.000PuO2+2 -2.000H+ +2.000H2O = PuO2(OH)2
log_k -13.2 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000PuO2+2 -2.000H+ +2.000H2O = (PuO2)2(OH)2+2
log_k -7.5 #01LEM/FUG
delta_h 43.583 kJ/mol #
# Enthalpy of formation: -2172.149 kJ/mol
+1.000PuO2+2 +1.000CO3-2 = PuO2(CO3)
log_k 9.5 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000PuO2+2 +2.000CO3-2 = PuO2(CO3)2-2
log_k 14.7 #03GUI/FAN
delta_h -27 kJ/mol #03GUI/FAN
# Enthalpy of formation: -2199.496 kJ/mol
+1.000PuO2+2 +3.000CO3-2 = PuO2(CO3)3-4
log_k 18 #03GUI/FAN
delta_h -38.6 kJ/mol #03GUI/FAN
# Enthalpy of formation: -2886.326 kJ/mol
+3.000PuO2+2 +6.000CO3-2 = (PuO2)3(CO3)6-6
log_k 46.02 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000UO2+2 +1.000PuO2+2 +6.000CO3-2 = PuO2(CO3)6(UO2)2-6
log_k 53.48 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000PuO2+2 +1.000Cl- = PuO2Cl+
log_k 0.23 #03GUI/FAN
delta_h 4.187 kJ/mol #
# Enthalpy of formation: -984.929 kJ/mol
+1.000PuO2+2 +2.000Cl- = PuO2Cl2
log_k -1.15 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000PuO2+2 +1.000F- = PuO2F+
log_k 4.56 #01LEM/FUG
delta_h -3.653 kJ/mol #
# Enthalpy of formation: -1161.039 kJ/mol
+1.000PuO2+2 +2.000F- = PuO2F2
log_k 7.25 #01LEM/FUG
delta_h 1.208 kJ/mol #
# Enthalpy of formation: -1491.528 kJ/mol
+1.000PuO2+2 +3.000F- = PuO2F3-
log_k 9.59 #85SAW/CHA
delta_h 2.401 kJ/mol #
# Enthalpy of formation: -1825.685 kJ/mol
+1.000PuO2+2 +1.000SO4-2 = PuO2(SO4)
log_k 3.38 #01LEM/FUG
delta_h 16.1 kJ/mol #01LEM/FUG
# Enthalpy of formation: -1715.276 kJ/mol
+1.000PuO2+2 +2.000SO4-2 = PuO2(SO4)2-2
log_k 4.4 #01LEM/FUG
delta_h 43 kJ/mol #01LEM/FUG
# Enthalpy of formation: -2597.716 kJ/mol
+1.000PuO2+2 +1.000e- = PuO2+
log_k 15.82 #
delta_h -88.091 kJ/mol #01LEM/FUG
# Enthalpy of formation: -910.127 kJ/mol
+1.000PuO2+ +3.000CO3-2 = PuO2(CO3)3-5
log_k 5.03 #
delta_h -19.11 kJ/mol #01LEM/FUG
# Enthalpy of formation: -2954.927 kJ/mol
+1.000PuO2+ +1.000SO4-2 = PuO2(SO4)-
log_k 0.44 #In analogy to NpO2)(SO4)-
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000PuO2+ +1.000F- = PuO2F
log_k 1.2 #In analogy to NpO2)F
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000PuO2+ -1.000H+ +1.000H2(PO4)- = PuO2(HPO4)-
log_k -4.86 #NEA Guidelines in 01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 -1.000H+ +1.000H2O = Pu(OH)+3
log_k 0.6 #99NEC, 01NEC/KIM, 03GUI/FAN
delta_h 36 kJ/mol #01LEM/FUG
# Enthalpy of formation: -789.725 kJ/mol
+1.000Pu+4 -2.000H+ +2.000H2O = Pu(OH)2+2
log_k 0.6 #99NEC, 01NEC/KIM, 03GUI/FAN
delta_h 49.569 kJ/mol #
# Enthalpy of formation: -1061.986 kJ/mol
+1.000Pu+4 -3.000H+ +3.000H2O = Pu(OH)3+
log_k -2.3 #99NEC, 01NEC/KIM, 03GUI/FAN
delta_h 68.543 kJ/mol #
# Enthalpy of formation: -1328.842 kJ/mol
+1.000Pu+4 -4.000H+ +4.000H2O = Pu(OH)4
log_k -8.5 #03GUI/FAN
delta_h 99.049 kJ/mol #
# Enthalpy of formation: -1584.166 kJ/mol
+1.000Pu+4 +5.000CO3-2 = Pu(CO3)5-6
log_k 35.65 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 +4.000CO3-2 = Pu(CO3)4-4
log_k 37 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 +1.000SO4-2 = Pu(SO4)+2
log_k 6.89 #01LEM/FUG
delta_h 13.753 kJ/mol #
# Enthalpy of formation: -1435.482 kJ/mol
+1.000Pu+4 +2.000SO4-2 = Pu(SO4)2
log_k 11.14 #01LEM/FUG
delta_h 43.906 kJ/mol #
# Enthalpy of formation: -2314.669 kJ/mol
+1.000Pu+4 +1.000Cl- = PuCl+3
log_k 1.8 #01LEM/FUG
delta_h 19.82 kJ/mol #
# Enthalpy of formation: -687.155 kJ/mol
+1.000Pu+4 +1.000F- = PuF+3
log_k 8.84 #01LEM/FUG
delta_h 9.1 kJ/mol #01LEM/FUG
# Enthalpy of formation: -866.145 kJ/mol
+1.000Pu+4 +2.000F- = PuF2+2
log_k 15.7 #01LEM/FUG
delta_h 11 kJ/mol #01LEM/FUG
# Enthalpy of formation: -1199.595 kJ/mol
+1.000Pu+4 +1.000I- = PuI+3
log_k 1.62 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 +1.000NO3- = Pu(NO3)+3
log_k 1.95 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 +1.000Br- = PuBr+3
log_k 1.6 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 +3.000F- = PuF3+
log_k 20.11 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+4 +1.000e- = Pu+3
log_k 17.69 #
delta_h -51.895 kJ/mol #
# Enthalpy of formation: -591.79 kJ/mol 01LEM/FUG
+1.000Pu+3 -1.000H+ +1.000H2O = Pu(OH)+2
log_k -6.9 #01LEM/FUG
delta_h 78.274 kJ/mol #
# Enthalpy of formation: -799.346 kJ/mol
+1.000Pu+3 -2.000H+ +2.000H2O = Pu(OH)2+
log_k -15.9 #80ALL/KIP
delta_h 150.342 kJ/mol #
# Enthalpy of formation: -1013.108 kJ/mol
+1.000Pu+3 -3.000H+ +3.000H2O = Pu(OH)3
log_k -25.3 #80ALL/KIP
delta_h 227.54 kJ/mol #
# Enthalpy of formation: -1221.74 kJ/mol
+1.000Pu+3 +1.000CO3-2 = Pu(CO3)+
log_k 7.64 #Estimated by correlation with An(III) in function of ionic radii
delta_h 152.754 kJ/mol #
# Enthalpy of formation: -1114.266 kJ/mol
+1.000Pu+3 +2.000CO3-2 = Pu(CO3)2-
log_k 12.54 #Estimated by correlation with An(III) in function of ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+3 +3.000CO3-2 = Pu(CO3)3-3
log_k 16.4 #Estimated by correlation with An(III) in function of ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+3 +1.000SO4-2 = Pu(SO4)+
log_k 3.91 #01LEM/FUG
delta_h 17.24 kJ/mol #01LEM/FUG
# Enthalpy of formation: -1483.89 kJ/mol
+1.000Pu+3 +2.000SO4-2 = Pu(SO4)2-
log_k 5.7 #01LEM/FUG
delta_h 11.88 kJ/mol #01LEM/FUG
# Enthalpy of formation: -2398.59 kJ/mol
+1.000Pu+3 +1.000I- = PuI+2
log_k 1.1 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+3 -1.000H+ +1.000H2(PO4)- = Pu(HPO4)+
log_k -1.82 #Estimated by correlation with An(III) in function of ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+3 -2.000H+ +2.000H2(PO4)- = Pu(HPO4)2-
log_k -5.46 #Estimated by correlation with An(III) in function of ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pu+3 +1.000NO3- = Pu(NO3)+2
log_k 1.33 #95SIL/BID
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000U+4 +1.000e- = U+3
log_k -9.35 #92GRE/FUG
delta_h 102.1 kJ/mol #92GRE/FUG
# Enthalpy of formation: -489.1 kJ/mol
+1.000UO2+2 +4.000H+ +2.000e- -2.000H2O = U+4
log_k 9.04 #92GRE/FUG
delta_h -143.86 kJ/mol #
# Enthalpy of formation: -591.2 kJ/mol 92GRE/FUG
+1.000U+4 -1.000H+ +1.000H2O = U(OH)+3
log_k -0.54 #92GRE/FUG
delta_h 46.91 kJ/mol #
# Enthalpy of formation: -830.12 kJ/mol
+1.000U+4 -4.000H+ +4.000H2O = U(OH)4
log_k -10 #03GUI/FAN
delta_h 109.881 kJ/mol #
# Enthalpy of formation: -1624.639 kJ/mol
+1.000U+4 +5.000CO3-2 = U(CO3)5-6
log_k 34 #03GUI/FAN
delta_h -20 kJ/mol #03GUI/FAN
# Enthalpy of formation: -3987.35 kJ/mol
+1.000U+4 +1.000SO4-2 = U(SO4)+2
log_k 6.58 #92GRE/FUG
delta_h 8 kJ/mol #92GRE/FUG
# Enthalpy of formation: -1492.54 kJ/mol
+1.000U+4 +2.000SO4-2 = U(SO4)2
log_k 10.51 #92GRE/FUG
delta_h 32.7 kJ/mol #92GRE/FUG
# Enthalpy of formation: -2377.18 kJ/mol
+1.000U+4 +1.000Cl- = UCl+3
log_k 1.72 #92GRE/FUG
delta_h -19 kJ/mol #92GRE/FUG
# Enthalpy of formation: -777.28 kJ/mol
+1.000U+4 +1.000Br- = UBr+3
log_k 1.46 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000U+4 +1.000F- = UF+3
log_k 9.42 #03GUI/FAN
delta_h -5.6 kJ/mol #92GRE/FUG
# Enthalpy of formation: -932.15 kJ/mol
+1.000U+4 +2.000F- = UF2+2
log_k 16.56 #03GUI/FAN
delta_h -3.5 kJ/mol #92GRE/FUG
# Enthalpy of formation: -1265.4 kJ/mol
+1.000U+4 +3.000F- = UF3+
log_k 21.89 #03GUI/FAN
delta_h 0.5 kJ/mol #92GRE/FUG
# Enthalpy of formation: -1596.75 kJ/mol
+1.000U+4 +4.000F- = UF4
log_k 26.34 #03GUI/FAN
delta_h -8.429 kJ/mol #
# Enthalpy of formation: -1941.029 kJ/mol
+1.000U+4 +5.000F- = UF5-
log_k 27.73 #03GUI/FAN
delta_h -11.624 kJ/mol #
# Enthalpy of formation: -2279.574 kJ/mol
+1.000U+4 +6.000F- = UF6-2
log_k 29.8 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000U+4 +1.000I- = UI+3
log_k 1.25 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000U+4 +1.000NO3- = U(NO3)+3
log_k 1.47 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000U+4 +2.000NO3- = U(NO3)2+2
log_k 2.3 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000U+4 +4.000CO3-2 = U(CO3)4-4
log_k 35.12 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000UO2+2 +1.000e- = UO2+
log_k 1.48 #
delta_h -6.127 kJ/mol #
# Enthalpy of formation: -1025.127 kJ/mol
+1.000UO2+ +3.000CO3-2 = UO2(CO3)3-5
log_k 6.95 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 +1.000e- = Np+3
log_k 3.7 #
delta_h 28.838 kJ/mol #
# Enthalpy of formation: -527.184 kJ/mol 01LEM/FUG
+1.000Np+3 -1.000H+ +1.000H2O = Np(OH)+2
log_k -6.8 #01LEM/FUG
delta_h 77.089 kJ/mol #
# Enthalpy of formation: -735.925 kJ/mol
+1.000Np+3 -2.000H+ +2.000H2O = Np(OH)2+
log_k -17 #80ALL/KIP
delta_h 155.529 kJ/mol #
# Enthalpy of formation: -943.315 kJ/mol
+1.000Np+3 -3.000H+ +3.000H2O = Np(OH)3
log_k -27 #80ALL/KIP
delta_h 235.824 kJ/mol #
# Enthalpy of formation: -1148.85 kJ/mol
+1.000Np+3 +1.000CO3-2 = Np(CO3)+
log_k 7.67 #Estimated by correlation with An(III) in function of ionic radii
delta_h 156.37 kJ/mol #
# Enthalpy of formation: -1046.044 kJ/mol
+1.000Np+3 +2.000CO3-2 = Np(CO3)2-
log_k 12.6 #Estimated by correlation with An(III) in function of ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+3 +3.000CO3-2 = Np(CO3)3-3
log_k 15.66 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+3 +1.000SO4-2 = Np(SO4)+
log_k 3.86 #Estimated by correlation with An(III) in function of ionic radii
delta_h 17.886 kJ/mol #
# Enthalpy of formation: -1418.638 kJ/mol
+1.000Np+3 +2.000SO4-2 = Np(SO4)2-
log_k 5.56 #Estimated by correlation with An(III) in function of ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 -1.000H+ +1.000H2O = Np(OH)+3
log_k 0.55 #03GUI/FAN
delta_h 38.192 kJ/mol #
# Enthalpy of formation: -803.66 kJ/mol
+1.000Np+4 -4.000H+ +4.000H2O = Np(OH)4
log_k -8.3 #03GUI/FAN
delta_h 101.442 kJ/mol #
# Enthalpy of formation: -1597.9 kJ/mol
+1.000Np+4 +4.000CO3-2 = Np(CO3)4-4
log_k 36.68 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 +5.000CO3-2 = Np(CO3)5-6
log_k 35.61 #01LEM/FUG
delta_h -1.612 kJ/mol #
# Enthalpy of formation: -3933.784 kJ/mol
+1.000Np+4 +1.000SO4-2 = Np(SO4)+2
log_k 6.85 #01LEM/FUG
delta_h 29.84 kJ/mol #01LEM/FUG
# Enthalpy of formation: -1435.522 kJ/mol 01LEM/FUG
+1.000Np+4 +2.000SO4-2 = Np(SO4)2
log_k 11.05 #01LEM/FUG
delta_h 55.38 kJ/mol #01LEM/FUG
# Enthalpy of formation: -2319.322 kJ/mol
+1.000Np+4 +1.000Cl- = NpCl+3
log_k 1.5 #01LEM/FUG
delta_h 24.173 kJ/mol #
# Enthalpy of formation: -698.929 kJ/mol
+1.000Np+4 +1.000F- = NpF+3
log_k 8.96 #01LEM/FUG
delta_h 1.5 kJ/mol #01LEM/FUG
# Enthalpy of formation: -889.872 kJ/mol
+1.000Np+4 +2.000F- = NpF2+2
log_k 15.7 #01LEM/FUG
delta_h 15.93 kJ/mol #
# Enthalpy of formation: -1210.792 kJ/mol
+1.000Np+4 +3.000F- = NpF3+
log_k 20.05 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 +4.000F- = NpF4
log_k 25.95 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 +1.000I- = NpI+3
log_k 1.5 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 +1.000NO3- = Np(NO3)+3
log_k 1.9 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Np+4 -3.000H+ +1.000CO3-2 +3.000H2O = Np(CO3)(OH)3-
log_k 3.82 #93ERI/NDA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NpO2+2 +1.000e- = NpO2+
log_k 19.59 #
delta_h -117.448 kJ/mol #
# Enthalpy of formation: -978.181 kJ/mol 01LEM/FUG
+1.000NpO2+ -1.000H+ +1.000H2O = NpO2(OH)
log_k -11.3 #01LEM/FUG
delta_h 64.785 kJ/mol #
# Enthalpy of formation: -1199.226 kJ/mol
+1.000NpO2+ +1.000CO3-2 = NpO2(CO3)-
log_k 4.96 #01LEM/FUG
delta_h 59.904 kJ/mol #
# Enthalpy of formation: -1593.507 kJ/mol
+1.000NpO2+ +2.000CO3-2 = NpO2(CO3)2-3
log_k 6.53 #01LEM/FUG
delta_h 39.027 kJ/mol #
# Enthalpy of formation: -2289.614 kJ/mol
+1.000NpO2+ +3.000CO3-2 = NpO2(CO3)3-5
log_k 5.5 #
delta_h -13.249 kJ/mol #
# Enthalpy of formation: -3017.12 kJ/mol 01LEM/FUG
+1.000NpO2+ +1.000SO4-2 = NpO2(SO4)-
log_k 0.44 #01LEM/FUG
delta_h 23.2 kJ/mol #01LEM/FUG
# Enthalpy of formation: -1864.321 kJ/mol
+1.000NpO2+ +1.000Cl- = NpO2Cl
log_k -0.93 #94NEC/KIM
delta_h 25.972 kJ/mol #
# Enthalpy of formation: -1119.289 kJ/mol
+1.000NpO2+ +1.000F- = NpO2F
log_k 1.2 #01LEM/FUG
delta_h 40.768 kJ/mol #
# Enthalpy of formation: -1272.763 kJ/mol
+1.000NpO2+2 +3.000CO3-2 = NpO2(CO3)3-4
log_k 19.37 #
delta_h -41.9 kJ/mol #
# Enthalpy of formation: -2928.323 kJ/mol 01LEM/FUG
+1.000NpO2+2 -1.000H+ +1.000H2O = NpO2(OH)+
log_k -5.1 #01LEM/FUG
delta_h 42.957 kJ/mol #
# Enthalpy of formation: -1103.606 kJ/mol
+1.000NpO2+2 -2.000H+ +2.000H2O = NpO2(OH)2
log_k -12.21 #Estimated by correlation with An(VI) in funciton of ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000NpO2+2 -2.000H+ +2.000H2O = (NpO2)2(OH)2+2
log_k -6.27 #01LEM/FUG
delta_h 44.996 kJ/mol #
# Enthalpy of formation: -2248.13 kJ/mol
+1.000NpO2+2 +1.000CO3-2 = NpO2(CO3)
log_k 9.32 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NpO2+2 +2.000CO3-2 = NpO2(CO3)2-2
log_k 16.52 #01LEM/FUG
delta_h 13.776 kJ/mol #
# Enthalpy of formation: -2197.417 kJ/mol
+3.000NpO2+2 +6.000CO3-2 = (NpO2)3(CO3)6-6
log_k 49.84 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NpO2+2 +1.000SO4-2 = NpO2(SO4)
log_k 3.28 #01LEM/FUG
delta_h 16.7 kJ/mol #01LEM/FUG
# Enthalpy of formation: -1753.373 kJ/mol
+1.000NpO2+2 +2.000SO4-2 = NpO2(SO4)2-2
log_k 4.7 #01LEM/FUG
delta_h 26 kJ/mol #01LEM/FUG
# Enthalpy of formation: -2653.413 kJ/mol
+1.000NpO2+2 +1.000Cl- = NpO2Cl+
log_k 0.4 #01LEM/FUG
delta_h 8.387 kJ/mol #
# Enthalpy of formation: -1019.426 kJ/mol
+1.000NpO2+2 +1.000F- = NpO2F+
log_k 4.57 #01LEM/FUG
delta_h 1.4 kJ/mol #
# Enthalpy of formation: -1194.683 kJ/mol
+1.000NpO2+2 +2.000F- = NpO2F2
log_k 7.6 #01LEM/FUG
delta_h 4.321 kJ/mol #
# Enthalpy of formation: -1527.112 kJ/mol
+1.000NpO2+2 -1.000H+ +1.000H2(PO4)- = NpO2(HPO4)
log_k -1.01 #01LEM/FUG
delta_h 92.209 kJ/mol #
# Enthalpy of formation: -2071.124 kJ/mol
+1.000NpO2+2 +1.000NO3- = NpO2(NO3)+
log_k 0.3 #logK value in analogy to UO2NO3+
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000NpO2+2 -2.000H+ +1.000CO3-2 +2.000H2O = NpO2(CO3)(OH)2-2
log_k -7.69 #99CHO/BRO
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000TcO(OH)2 +1.000H+ -1.000H2O = TcO(OH)+
log_k 2.79 #
delta_h 4.02 kJ/mol #97NGU/LAN
# Enthalpy of formation: -459.47 kJ/mol
+1.000TcO(OH)2 -1.000H+ +1.000H2O = (TcO)(OH)3-
log_k -10.8 #
delta_h 39.03 kJ/mol #97NGU/LAN
# Enthalpy of formation: -996.12 kJ/mol
+1.000Eu+3 -1.000H+ +1.000H2O = Eu(OH)+2
log_k -7.8 #95SPA/BRU
delta_h 79.824 kJ/mol #
# Enthalpy of formation: -811.337 kJ/mol
+1.000Eu+3 -2.000H+ +2.000H2O = Eu(OH)2+
log_k -15.7 #07NEC/ALT
delta_h 144.521 kJ/mol #
# Enthalpy of formation: -1032.471 kJ/mol
+1.000Eu+3 -3.000H+ +3.000H2O = Eu(OH)3
log_k -26.2 #07NEC/ALT
delta_h 226.86 kJ/mol #
# Enthalpy of formation: -1235.961 kJ/mol
+1.000Eu+3 +1.000CO3-2 = Eu(CO3)+
log_k 7.9 #95SPA/BRU
delta_h 167.549 kJ/mol #
# Enthalpy of formation: -1113.013 kJ/mol
+1.000Eu+3 +1.000F- = EuF+2
log_k 4.33 #07LUO/BYR
delta_h 24.956 kJ/mol #
# Enthalpy of formation: -915.725 kJ/mol
+1.000Eu+3 +2.000F- = EuF2+
log_k 6.55 #Original data from 99SCH/BYR and 04LUO/BYR
delta_h 21.483 kJ/mol #
# Enthalpy of formation: -1254.548 kJ/mol
+1.000Eu+3 +1.000Br- = EuBr+2
log_k 0.25 #95SPA/BRU
delta_h 16.223 kJ/mol #
# Enthalpy of formation: -710.518 kJ/mol
+1.000Eu+3 +2.000Br- = EuBr2+
log_k -0.09 #95SPA/BRU
delta_h 26.498 kJ/mol #
# Enthalpy of formation: -821.653 kJ/mol
+1.000Eu+3 +2.000CO3-2 = Eu(CO3)2-
log_k 12.9 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Eu+3 +1.000H+ +1.000CO3-2 = Eu(HCO3)+2
log_k 12.43 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Eu+3 -2.000H+ +1.000H2(PO4)- = Eu(PO4)
log_k -7.36 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Eu+3 -4.000H+ +2.000H2(PO4)- = Eu(PO4)2-3
log_k -18.46 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Eu+3 +1.000SO4-2 = Eu(SO4)+
log_k 3.5 #95SPA/BRU
delta_h 15.577 kJ/mol #
# Enthalpy of formation: -1499.094 kJ/mol
+1.000Eu+3 +2.000SO4-2 = Eu(SO4)2-
log_k 5.2 #95SPA/BRU
delta_h 27.787 kJ/mol #
# Enthalpy of formation: -2396.224 kJ/mol
+1.000Eu+3 -1.000H+ +1.000H2(PO4)- = Eu(HPO4)+
log_k -1.51 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Eu+3 -2.000H+ +2.000H2(PO4)- = Eu(HPO4)2-
log_k -4.82 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Eu+3 +1.000H2(PO4)- = Eu(H2PO4)+2
log_k 2.4 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Eu+3 +1.000Cl- = EuCl+2
log_k 0.76 #Original data 01LUO/BYR and 04LUO/BYR
delta_h 21.929 kJ/mol #
# Enthalpy of formation: -750.482 kJ/mol
+1.000Eu+3 +2.000Cl- = EuCl2+
log_k -0.05 #95SPA/BRU
delta_h 35.334 kJ/mol #
# Enthalpy of formation: -904.158 kJ/mol
+1.000Sm+3 -1.000H+ +1.000H2O = Sm(OH)+2
log_k -7.9 #95SPA/BRU
delta_h 81.304 kJ/mol #
# Enthalpy of formation: -895.725 kJ/mol
+1.000Sm+3 +1.000Cl- = SmCl+2
log_k 0.72 #Original data 01LUO/BYR and 07LUO/BYR
delta_h 22.277 kJ/mol #
# Enthalpy of formation: -836.002 kJ/mol
+1.000Sm+3 +1.000F- = SmF+2
log_k 4.21 #07LUO/BYR
delta_h 24.18 kJ/mol #
# Enthalpy of formation: -1002.369 kJ/mol
+1.000Sm+3 +1.000Br- = SmBr+2
log_k 0.23 #96FAL/REA
delta_h 17.023 kJ/mol #
# Enthalpy of formation: -795.586 kJ/mol
+1.000Sm+3 +1.000H+ +1.000CO3-2 = Sm(HCO3)+2
log_k 12.43 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sm+3 +1.000NO3- = Sm(NO3)+2
log_k 0.9 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sm+3 -2.000H+ +1.000H2(PO4)- = Sm(PO4)
log_k -7.46 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sm+3 -4.000H+ +2.000H2(PO4)- = Sm(PO4)2-3
log_k -18.72 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sm+3 -1.000H+ +1.000H2(PO4)- = Sm(HPO4)+
log_k -1.61 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sm+3 -2.000H+ +2.000H2(PO4)- = Sm(HPO4)2-
log_k -5.02 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sm+3 +1.000H2(PO4)- = Sm(H2PO4)+2
log_k 2.35 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sm+3 -4.000H+ +4.000H2O = Sm(OH)4-
log_k -40.7 #07NEC/ALT
delta_h 298.594 kJ/mol #
# Enthalpy of formation: -1535.925 kJ/mol
+1.000Sm+3 -2.000H+ +2.000H2O = Sm(OH)2+
log_k -15.7 #07NEC/ALT
delta_h 145.698 kJ/mol #
# Enthalpy of formation: -1117.161 kJ/mol
+1.000Sm+3 -3.000H+ +3.000H2O = Sm(OH)3
log_k -26.2 #07NEC/ALT
delta_h 228.395 kJ/mol #
# Enthalpy of formation: -1320.294 kJ/mol
+1.000Sm+3 +1.000CO3-2 = Sm(CO3)+
log_k 7.8 #95SPA/BRU
delta_h 163.392 kJ/mol #
# Enthalpy of formation: -1203.037 kJ/mol
+1.000Sm+3 +2.000CO3-2 = Sm(CO3)2-
log_k 12.8 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Sm+3 +1.000SO4-2 = Sm(SO4)+
log_k 3.5 #95SPA/BRU
delta_h 16.575 kJ/mol #
# Enthalpy of formation: -1583.964 kJ/mol
+1.000Sm+3 +2.000SO4-2 = Sm(SO4)2-
log_k 5.2 #95SPA/BRU
delta_h 24.91 kJ/mol #
# Enthalpy of formation: -2484.969 kJ/mol
-1.000H+ +1.000Pd+2 +1.000H2O = Pd(OH)+
log_k -1.86 #70NAB/KAL
delta_h 11.9 kJ/mol #
# Enthalpy of formation: -84.047 kJ/mol
-2.000H+ +1.000Pd+2 +2.000H2O = Pd(OH)2
log_k -3.79 #70NAB/KAL
delta_h 15.293 kJ/mol #
# Enthalpy of formation: -366.483 kJ/mol
-3.000H+ +1.000Pd+2 +3.000H2O = Pd(OH)3-
log_k -15.93 #70NAB/KAL
delta_h 54.863 kJ/mol #
# Enthalpy of formation: -612.744 kJ/mol
-4.000H+ +1.000Pd+2 +4.000H2O = Pd(OH)4-2
log_k -29.36 #70NAB/KAL
delta_h 118.563 kJ/mol #
# Enthalpy of formation: -834.874 kJ/mol
+1.000Pd+2 +1.000SO4-2 = Pd(SO4)
log_k 2.91 #87BRO/WAN
delta_h 4.596 kJ/mol #
# Enthalpy of formation: -714.86 kJ/mol
+1.000Pd+2 +2.000SO4-2 = Pd(SO4)2-2
log_k 4.17 #82HOG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pd+2 +1.000Cl- = PdCl+
log_k 5.1 #99LOT/OCH
delta_h -24.542 kJ/mol #
# Enthalpy of formation: -1.739 kJ/mol
+1.000Pd+2 +2.000Cl- = PdCl2
log_k 8.3 #99LOT/OCH
delta_h -47.297 kJ/mol #
# Enthalpy of formation: -191.573 kJ/mol
+1.000Pd+2 +3.000Cl- = PdCl3-
log_k 10.9 #99LOT/OCH
delta_h -77.344 kJ/mol #
# Enthalpy of formation: -388.7 kJ/mol
+1.000Pd+2 +4.000Cl- = PdCl4-2
log_k 11.7 #99LOT/OCH
delta_h -112.469 kJ/mol #
# Enthalpy of formation: -590.906 kJ/mol
+1.000Pd+2 +1.000Br- = PdBr+
log_k 5.77 #72ELD
delta_h -30.14 kJ/mol #
# Enthalpy of formation: 38.344 kJ/mol
+1.000Pd+2 +1.000NH3 = Pd(NH3)+2
log_k 9.6 #68RAS/JOR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pd+2 +2.000NH3 = Pd(NH3)2+2
log_k 18.5 #68RAS/JOR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Pd+2 +1.000I- = PdI+
log_k 10.4 #89BAE/McK
delta_h -58.201 kJ/mol #
# Enthalpy of formation: 74.902 kJ/mol
+1.000Pd+2 +2.000I- = PdI2
log_k 14.5 #97BOU
delta_h -83.42 kJ/mol #
# Enthalpy of formation: -7.096 kJ/mol
+1.000Pd+2 +3.000I- = PdI3-
log_k 18.6 #97BOU
delta_h -121.75 kJ/mol #
# Enthalpy of formation: -102.207 kJ/mol
+1.000Pd+2 +4.000I- = PdI4-2
log_k 24.64 #
delta_h -190.052 kJ/mol #
# Enthalpy of formation: -227.288 kJ/mol
-1.000H+ +1.000Am+3 +1.000H2O = Am(OH)+2
log_k -7.2 #03GUI/FAN, 88STA/KIM, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
delta_h 78.411 kJ/mol #
# Enthalpy of formation: -824.119 kJ/mol
-2.000H+ +1.000Am+3 +2.000H2O = Am(OH)2+
log_k -15.1 #03GUI/FAN, 88STA/KIM, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
delta_h 143.704 kJ/mol #
# Enthalpy of formation: -1044.656 kJ/mol
-3.000H+ +1.000Am+3 +3.000H2O = Am(OH)3
log_k -26.2 #03GUI/FAN, 88STA/KIM, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
delta_h 230.125 kJ/mol #
# Enthalpy of formation: -1244.065 kJ/mol
+1.000Am+3 +1.000CO3-2 = Am(CO3)+
log_k 7.9 #recalculated from 03GUI/FAN
delta_h 158.156 kJ/mol #
# Enthalpy of formation: -1133.774 kJ/mol
+1.000Am+3 +2.000CO3-2 = Am(CO3)2-
log_k 12.6 #recalculated from 03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Am+3 +3.000CO3-2 = Am(CO3)3-3
log_k 14.6 #Recalculated from 03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Am+3 +1.000F- = AmF+2
log_k 3.4 #03GUI/FAN
delta_h 27.134 kJ/mol #
# Enthalpy of formation: -924.916 kJ/mol
+1.000Am+3 +2.000F- = AmF2+
log_k 5.8 #95SIL/BID
delta_h 22.32 kJ/mol #
# Enthalpy of formation: -1265.08 kJ/mol
+1.000Am+3 +1.000Cl- = AmCl+2
log_k 0.24 #97KÖN/FAN
delta_h 25.106 kJ/mol #
# Enthalpy of formation: -758.674 kJ/mol
+1.000Am+3 +2.000Cl- = AmCl2+
log_k -0.74 #97KÖN/FAN
delta_h 40.568 kJ/mol #
# Enthalpy of formation: -910.292 kJ/mol
+1.000Am+3 +1.000SO4-2 = Am(SO4)+
log_k 3.3 #03GUI/FAN
delta_h 15.493 kJ/mol #
# Enthalpy of formation: -1510.547 kJ/mol
+1.000Am+3 +2.000SO4-2 = Am(SO4)2-
log_k 3.7 #03GUI/FAN
delta_h 20.927 kJ/mol #
# Enthalpy of formation: -2414.453 kJ/mol
+1.000Am+3 +1.000NO3- = Am(NO3)+2
log_k 1.33 #95SIL/BID
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Am+3 +1.000H2(PO4)- = Am(H2PO4)+2
log_k 3 #95SIL/BID
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Am+3 -1.000e- = Am+4
log_k -44.21 #
delta_h 210.7 kJ/mol #
# Enthalpy of formation: -406 kJ/mol 95SIL/BID
-4.000H+ +1.000Am+3 -3.000e- +2.000H2O = AmO2+2
log_k -85.35 #
delta_h 537.6 kJ/mol #95SIL/BID
# Enthalpy of formation: -650.76 kJ/mol
-4.000H+ +1.000Am+3 -2.000e- +2.000H2O = AmO2+
log_k -58.37 #
delta_h 384.1 kJ/mol #95SIL/BID
# Enthalpy of formation: -804.26 kJ/mol
-1.000H+ +1.000Ra+2 +1.000H2O = Ra(OH)+
log_k -13.49 #
delta_h 60.417 kJ/mol #85LAN/RIE
# Enthalpy of formation: -753.438 kJ/mol
-2.000H+ +1.000Ra+2 +2.000H2O = Ra(OH)2
log_k -28.07 #
delta_h 112.197 kJ/mol #
# Enthalpy of formation: -987.488 kJ/mol
+1.000Ra+2 +1.000CO3-2 = Ra(CO3)
log_k 2.5 #99SCH
delta_h 4.496 kJ/mol #
# Enthalpy of formation: -1198.76 kJ/mol
+1.000Ra+2 +1.000SO4-2 = Ra(SO4)
log_k 2.76 #
delta_h 5.481 kJ/mol #
# Enthalpy of formation: -1431.884 kJ/mol
+1.000Ra+2 +1.000Cl- = RaCl+
log_k -0.1 #85LAN/RIE
delta_h 2.479 kJ/mol #
# Enthalpy of formation: -692.626 kJ/mol
+1.000Ra+2 +1.000F- = RaF+
log_k 0.48 #87BRO/WAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000H+ +2.000e- +1.000SeO4-2 -1.000H2O = SeO3-2
log_k 28.04 #05OLI/NOL
delta_h -189.49 kJ/mol #
# Enthalpy of formation: -507.16 kJ/mol 05OLI/NOL
+1.000Ho+3 +1.000Cl- = HoCl+2
log_k 0.74 #Original data from 01LUO/BYR and 04LUO/BYR
delta_h 22.013 kJ/mol #
# Enthalpy of formation: -852.109 kJ/mol
+1.000Ho+3 +1.000F- = HoF+2
log_k 4.33 #07LUO/BYR
delta_h 25.761 kJ/mol #
# Enthalpy of formation: -1016.631 kJ/mol
+1.000Ho+3 +1.000CO3-2 = Ho(CO3)+
log_k 8 #95SPA/BRU
delta_h 168.562 kJ/mol #
# Enthalpy of formation: -1213.71 kJ/mol
+1.000Ho+3 +2.000CO3-2 = Ho(CO3)2-
log_k 13.3 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000H+ +1.000Ho+3 +1.000CO3-2 = Ho(HCO3)+2
log_k 12.5 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ho+3 +1.000SO4-2 = Ho(SO4)+
log_k 3.4 #95SPA/BRU
delta_h 15.387 kJ/mol #
# Enthalpy of formation: -1600.995 kJ/mol
+1.000Ho+3 +2.000SO4-2 = Ho(SO4)2-
log_k 4.9 #95SPA/BRU
delta_h 23.67 kJ/mol #
# Enthalpy of formation: -2502.052 kJ/mol
+1.000Ho+3 +1.000NO3- = Ho(NO3)+2
log_k 0.5 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-2.000H+ +1.000Ho+3 +1.000H2(PO4)- = Ho(PO4)
log_k -6.96 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-4.000H+ +1.000Ho+3 +2.000H2(PO4)- = Ho(PO4)2-3
log_k -17.82 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-1.000H+ +1.000Ho+3 +1.000H2(PO4)- = Ho(HPO4)+
log_k -1.41 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-2.000H+ +1.000Ho+3 +2.000H2(PO4)- = Ho(HPO4)2-
log_k -4.52 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Ho+3 +1.000H2(PO4)- = Ho(H2PO4)+2
log_k 2.3 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
-6.000H+ -6.000e- +1.000I- +3.000H2O = IO3-
log_k -111.56 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: -219.7 kJ/mol 92GRE/FUG
+2.000H+ +1.000Nb(OH)6- -2.000H2O = Nb(OH)4+
log_k 6.64 #97PEI/NGU
delta_h -35.35 kJ/mol #97PEI/NGU
# Enthalpy of formation: -1389.355 kJ/mol
+1.000H+ +1.000Nb(OH)6- -1.000H2O = Nb(OH)5
log_k 5.08 #97PEI/NGU
delta_h -13.39 kJ/mol #97PEI/NGU
# Enthalpy of formation: -1653.225 kJ/mol
-1.000H+ +1.000Nb(OH)6- +1.000H2O = Nb(OH)7-2
log_k -8.88 #97PEI/NGU
delta_h 10.17 kJ/mol #97PEI/NGU
# Enthalpy of formation: -2201.325 kJ/mol
+2.000H+ +2.000e- +1.000SO4-2 -1.000H2O = SO3-2
log_k -3.62 #
delta_h -7.55 kJ/mol #
# Enthalpy of formation: -631.06 kJ/mol 85GOL/PAR
-2.000H+ +1.000H2(PO4)- = PO4-3
log_k -19.56 #89COX/WAG
#delta_h kJ/mol #
# Enthalpy of formation: -1284.4 kJ/mol 89COX/WAG
+1.000Th+4 +8.000H2O -8.000H+ +4.000Ca+2 = Ca4Th(OH)8+4
log_k -63.1 #08ALT/NEC
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +2.000NO3- = Th(NO3)2+2
log_k 2.3 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +2.000H2(PO4)- +1.000H+ = Th(H3PO4)(H2PO4)+3
log_k 9.7 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +1.000H2(PO4)- = Th(H2PO4)+3
log_k 5.59 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +2.000H2(PO4)- = Th(H2PO4)2+2
log_k 10.48 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+1.000Th+4 +1.000H2(PO4)- +1.000H+ = Th(H3PO4)+4
log_k 4.03 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+2.000Th+4 +3.000H2O -3.000H+ = Th2(OH)3+5
log_k -6.8 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
+6.000Th+4 +14.000H2O -14.000H+ = Th6(OH)14+10
log_k -36.8 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
PHASES
Ca(HPO4)(s)
Ca(HPO4) = +1.000Ca+2 -1.000H+ +1.000H2(PO4)-
log_k 0.3 #84NAN
delta_h -24.098 kJ/mol #
# Enthalpy of formation: -1821.502 kJ/mol
Ca(NO3)2(s)
Ca(NO3)2 = +1.000Ca+2 +2.000NO3-
log_k 5.89 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ca2Fe2O5(s)
Ca2Fe2O5 = +2.000Ca+2 +2.000Fe+3 -10.000H+ +5.000H2O
log_k 56.76 #
delta_h -473.87 kJ/mol #
# Enthalpy of formation: -2138.3 kJ/mol
CaF2:6H2O(s)
CaF2:6H2O = +1.000Ca+2 +2.000F- +6.000H2O
log_k -5.48 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
CaFe2O4(s)
CaFe2O4 = +1.000Ca+2 +2.000Fe+3 -8.000H+ +4.000H2O
log_k 21.24 #79ROB
delta_h -263.98 kJ/mol #
# Enthalpy of formation: -1520.34 kJ/mol
CaI2(s)
CaI2 = +1.000Ca+2 +2.000I-
log_k 22.5 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Cd3(PO4)2(s)
Cd3(PO4)2 = +3.000Cd+2 -4.000H+ +2.000H2(PO4)-
log_k 8.97 #
delta_h -206.96 kJ/mol #
# Enthalpy of formation: -2626 kJ/mol 01BEN/JEM
CdO(s)
CdO = +1.000Cd+2 -2.000H+ +1.000H2O
log_k 15.1 #
delta_h -103.4 kJ/mol #
# Enthalpy of formation: -258.35 kJ/mol 89COX/WAG
Gypsum
CaSO4:2H2O = +1.000Ca+2 +1.000SO4-2 +2.000H2O
log_k -4.61 #
delta_h -1.05 kJ/mol #
# Enthalpy of formation: -2022.95 kJ/mol 87GAR/PAR
Cd(SO4)(cr)
Cd(SO4) = +1.000Cd+2 +1.000SO4-2
log_k -0.16 #
delta_h -51.98 kJ/mol #
# Enthalpy of formation: -933.28 kJ/mol 82WAG/EVA
Fluorite
CaF2 = +1.000Ca+2 +2.000F-
log_k -10.6 #
delta_h 19.623 kJ/mol #
# Enthalpy of formation: -1233.323 kJ/mol
Chloroapatite
Ca5Cl(PO4)3 = +5.000Ca+2 -6.000H+ +1.000Cl- +3.000H2(PO4)-
log_k 5.21 #68VAL/KOG
delta_h -132.541 kJ/mol #
# Enthalpy of formation: -6657.339 kJ/mol
Hydrophilite
CaCl2 = +1.000Ca+2 +2.000Cl-
log_k 11.77 #
delta_h -81.36 kJ/mol #
# Enthalpy of formation: -795.8 kJ/mol 98CHA
CaMg3(CO3)4(s)
CaMg3(CO3)4 = +1.000Ca+2 +3.000Mg+2 +4.000CO3-2
log_k -30.81 #
delta_h -112.34 kJ/mol #
# Enthalpy of formation: -4532.58 kJ/mol 73HEM/ROB
Anapaite
Ca2Fe(PO4)2:4H2O = +2.000Ca+2 +1.000Fe+2 -4.000H+ +2.000H2(PO4)- +4.000H2O
log_k 5.02 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ettringite
Ca6Al2(SO4)3(OH)12:26H2O = +6.000Ca+2 +2.000Al+3 -12.000H+ +3.000SO4-2 +38.000H2O
log_k 56.97 #07BLA/BOU
delta_h -379.83 kJ/mol #
# Enthalpy of formation: -17544.53 kJ/mol 07BLA/BOU
Hemicarboaluminate
Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O = +8.000Ca+2 +4.000Al+3 -26.000H+ +1.000CO3-2 +35.000H2O
log_k 173.2 #07MAT/LOT
delta_h -1189.08 kJ/mol #
# Enthalpy of formation: -15987.8 kJ/mol
Jennite
Ca9Si6O16(OH)10:6(H2O) = +9.000Ca+2 -18.000H+ +6.000H4(SiO4) +8.000H2O
log_k 147.33 #07BLA/BOU
delta_h -751.765 kJ/mol #
# Enthalpy of formation: -15189.04 kJ/mol 07BLA/BOU
Afwillite
Ca3Si2O4(OH)6 = +3.000Ca+2 -6.000H+ +2.000H4(SiO4) +2.000H2O
log_k 49.42 #07BLA/BOU
delta_h -269.228 kJ/mol #
# Enthalpy of formation: -4853.82 kJ/mol 07BLA/BOU
C4AH13
Ca4Al2(OH)14:6H2O = +4.000Ca+2 +2.000Al+3 -14.000H+ +20.000H2O
log_k 103.65 #07BLA/BOU
delta_h -647.4 kJ/mol #
# Enthalpy of formation: -8318 kJ/mol 76HOU/STE
C3ASH4
Ca3Al2(SiO4)(OH)8 = +3.000Ca+2 +2.000Al+3 -12.000H+ +1.000H4(SiO4) +8.000H2O
log_k 71.16 #07BLA/BOU
delta_h -545.767 kJ/mol #
# Enthalpy of formation: -5907.867 kJ/mol
Stratlingite
Ca2Al2SiO3(OH)8:4H2O = +2.000Ca+2 +2.000Al+3 -10.000H+ +1.000H4(SiO4) +11.000H2O
log_k 49.66 #07BLA/BOU
delta_h -397.95 kJ/mol #
# Enthalpy of formation: -6370.175 kJ/mol
Hillebrandite
Ca2SiO3(OH)2:0.17H2O = +2.000Ca+2 -4.000H+ +1.000H4(SiO4) +1.170H2O
log_k 36.85 #07BLA/BOU
delta_h -219.135 kJ/mol #
# Enthalpy of formation: -2662.48 kJ/mol 56NEW
Foshagite
Ca4Si3O9(OH)2:0.5H2O = +4.000Ca+2 -8.000H+ +3.000H4(SiO4) -0.500H2O
log_k 65.96 #07BLA/BOU
delta_h -380.238 kJ/mol #
# Enthalpy of formation: -6032.43 kJ/mol 56NEW
Xonotlite
Ca6Si6O17(OH)2 = +6.000Ca+2 -12.000H+ +6.000H4(SiO4) -5.000H2O
log_k 91.34 #07BLA/BOU
delta_h -573.865 kJ/mol #
# Enthalpy of formation: -10022.15 kJ/mol 56NEW
Gyrolite
Ca2Si3O7.5(OH):2H2O = +2.000Ca+2 -4.000H+ +3.000H4(SiO4) -1.500H2O
log_k 22.34 #07BLA/BOU
delta_h -122.848 kJ/mol #
# Enthalpy of formation: -4917.99 kJ/mol 07BLA/BOU
Okenite
CaSi2O5:2H2O = +1.000Ca+2 -2.000H+ +2.000H4(SiO4) -1.000H2O
log_k 9.18 #
delta_h -44.388 kJ/mol #
# Enthalpy of formation: -3135.17 kJ/mol 07BLA/BOU
Ca(Ox):H2O(s)
Ca(Ox):H2O = +1.000Ca+2 +1.000Ox-2 +1.000H2O
log_k -8.73 #05HUM/AND
delta_h 21.5 kJ/mol #
# Enthalpy of formation: -1680.99 kJ/mol
Ca(Ox):2H2O(s)
Ca(Ox):2H2O = +1.000Ca+2 +1.000Ox-2 +2.000H2O
log_k -8.3 #05HUM/AND
delta_h 25.2 kJ/mol #
# Enthalpy of formation: -1970.52 kJ/mol
Ca(Ox):3H2O(s)
Ca(Ox):3H2O = +1.000Ca+2 +1.000Ox-2 +3.000H2O
log_k -8.19 #05HUM/AND
delta_h 29.7 kJ/mol #
# Enthalpy of formation: -2260.85 kJ/mol
Ca3(Cit)2:4H2O(s)
Ca3(Cit)2:4H2O = +3.000Ca+2 +2.000Cit-3 +4.000H2O
log_k -17.9 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ca(HIsa)2(cr)
Ca(HIsa)2 = +1.000Ca+2 +2.000HIsa-
log_k -6.4 #05HUM/AND
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ca(HGlu)2(s)
Ca(HGlu)2 = +1.000Ca+2 +2.000HGlu-
log_k -4.19 #99VAN/GLA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Bassanite
CaSO4:0.5H2O = +1.000Ca+2 +1.000SO4-2 +0.500H2O
log_k -3.92 #06BLA/PIA
delta_h -17.358 kJ/mol #
# Enthalpy of formation: -1577.897 kJ/mol
Ca(s)
Ca = +1.000Ca+2 +2.000e-
log_k 96.85 #
delta_h -543 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 89COX/WAG
CaCO3:H2O(s)
CaCO3:H2O = +1.000Ca+2 +1.000CO3-2 +1.000H2O
log_k -7.6 #73HUL/TUR
delta_h -5.77 kJ/mol #
# Enthalpy of formation: -1498.29 kJ/mol 73HUL/TUR
Anorthite
CaAl2Si2O8 = +1.000Ca+2 +2.000Al+3 -8.000H+ +2.000H4(SiO4)
log_k 25.31 #
delta_h -314.358 kJ/mol #
# Enthalpy of formation: -4227.83 kJ/mol 00ARN/STE
Antarcticite
CaCl2:6H2O = +1.000Ca+2 +2.000Cl- +6.000H2O
log_k 3.94 #
delta_h 13.99 kJ/mol #
# Enthalpy of formation: -2606.13 kJ/mol 87GAR/PAR
CaCl2:4H2O(cr)
CaCl2:4H2O = +1.000Ca+2 +2.000Cl- +4.000H2O
log_k 5.35 #
delta_h -11.31 kJ/mol #
# Enthalpy of formation: -2009.17 kJ/mol 87GAR/PAR
Ca4Cl2(OH)6:13H2O(s)
Ca4Cl2(OH)6:13H2O = +4.000Ca+2 -6.000H+ +2.000Cl- +19.000H2O
log_k 68.73 #84HAR/MOL
delta_h -271.93 kJ/mol #
# Enthalpy of formation: -7665 kJ/mol 82WAG/EVA
Ca2Cl2(OH)2:H2O(s)
Ca2Cl2(OH)2:H2O = +2.000Ca+2 -2.000H+ +2.000Cl- +3.000H2O
log_k 26.53 #84HAR/MOL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
CaCl2:2H2O(cr)
CaCl2:2H2O = +1.000Ca+2 +2.000Cl- +2.000H2O
log_k 7.95 #
delta_h -44.79 kJ/mol #
# Enthalpy of formation: -1404.03 kJ/mol 87GAR/PAR
CaCl2:H2O(s)
CaCl2:H2O = +1.000Ca+2 +2.000Cl- +1.000H2O
log_k 7.85 #
delta_h -52.16 kJ/mol #
# Enthalpy of formation: -1110.83 kJ/mol 87GAR/PAR
Gaylussite
CaNa2(CO3)2:5H2O = +1.000Ca+2 +2.000Na+ +2.000CO3-2 +5.000H2O
log_k -9.43 #99KON/KON
delta_h 31.099 kJ/mol #
# Enthalpy of formation: -3834.389 kJ/mol
Ca4H(PO4)3:2.5H2O(s)
Ca4H(PO4)3:2.5H2O = +4.000Ca+2 -5.000H+ +3.000H2(PO4)- +2.500H2O
log_k 11.81 #84NAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
CaCrO4(s)
CaCrO4 = +1.000Ca+2 +1.000CrO4-2
log_k -3.15 #03DEA
delta_h -22.814 kJ/mol #
# Enthalpy of formation: -1399.186 kJ/mol
Ca6(Al(OH)6)2(CrO4)3:26H2O(s)
Ca6(Al(OH)6)2(CrO4)3:26H2O = +6.000Ca+2 +2.000Al+3 -12.000H+ +3.000CrO4-2 +38.000H2O
log_k 60.28 #00PER/PAL
delta_h -509.59 kJ/mol #00PER/PAL
# Enthalpy of formation: -17323.75 kJ/mol
Ca4Al2O6(CrO4):15H2O(s)
Ca4Al2O6(CrO4):15H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +1.000CrO4-2 +21.000H2O
log_k 71.36 #01PER/PAL
delta_h -545.98 kJ/mol #01PER/PAL
# Enthalpy of formation: -9584.25 kJ/mol
Monosulfoaluminate
Ca4Al2(SO4)(OH)12:6H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +1.000SO4-2 +18.000H2O
log_k 72.73 #07BLA/BOU
delta_h -522.63 kJ/mol #
# Enthalpy of formation: -8780.45 kJ/mol 82WAG/EVA
Monocarboaluminate
(CaO)3Al2O3:CaCO3:10.68H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +1.000CO3-2 +16.680H2O
log_k 70.3 #94DAM/GLA
delta_h -515.924 kJ/mol #
# Enthalpy of formation: -8175.75 kJ/mol 07BLA/BOU
Friedel-salt
Ca4Al2(OH)12Cl2:4H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +2.000Cl- +16.000H2O
log_k 74.93 #07BLA/BOU
delta_h -486.2 kJ/mol #
# Enthalpy of formation: -7670.04 kJ/mol 76HOU/STE
Hydrogarnet
Ca3Al2(OH)12 = +3.000Ca+2 +2.000Al+3 -12.000H+ +12.000H2O
log_k 80.32 #07BLA/BOU
delta_h -584.26 kJ/mol #
# Enthalpy of formation: -5551.5 kJ/mol 99SCH/NAV
Chabazite
CaAl2Si4O12:6H2O = +1.000Ca+2 +2.000Al+3 -8.000H+ +4.000H4(SiO4) +2.000H2O
log_k 13.67 #
delta_h -214.638 kJ/mol #
# Enthalpy of formation: -7821.599 kJ/mol 07VIE
Gismondine
Ca2Al4Si4O16:9H2O = +2.000Ca+2 +4.000Al+3 -16.000H+ +4.000H4(SiO4) +9.000H2O
log_k 37.44 #
delta_h -477.477 kJ/mol #
# Enthalpy of formation: -11179.37 kJ/mol 07VIE
C4FH13
Ca4Fe2(OH)14:6H2O = +4.000Ca+2 +2.000Fe+3 -14.000H+ +20.000H2O
log_k 93.71 #
delta_h -568.99 kJ/mol #
# Enthalpy of formation: -7417.61 kJ/mol 07BLA/BOU
C3FH6
Ca3Fe2(OH)12 = +3.000Ca+2 +2.000Fe+3 -12.000H+ +12.000H2O
log_k 70.38 #
delta_h -505.85 kJ/mol #
# Enthalpy of formation: -4651.11 kJ/mol 07BLA/BOU
Ettringite-Fe
Ca6Fe2(SO4)3(OH)12:26H2O = +6.000Ca+2 +2.000Fe+3 -12.000H+ +3.000SO4-2 +38.000H2O
log_k 54.53 #07BLA/BOU
delta_h -344.219 kJ/mol #
# Enthalpy of formation: -16601.341 kJ/mol
Monosulfate-Fe
Ca4Fe2(SO4)(OH)12:6H2O = +4.000Ca+2 +2.000Fe+3 -12.000H+ +1.000SO4-2 +18.000H2O
log_k 65.6 #07BLA/BOU
delta_h -460.253 kJ/mol #
# Enthalpy of formation: -7864.027 kJ/mol
Tobermorite-14A
Ca5Si6O16.5(OH):10H2O = +5.000Ca+2 -10.000H+ +6.000H4(SiO4) +3.500H2O
log_k 62.94 #07BLA/BOU
delta_h -307.42 kJ/mol #
# Enthalpy of formation: -12175.15 kJ/mol 07BLA/BOU
Tobermorite-11A
Ca5Si6O16.5(OH):5H2O = +5.000Ca+2 -10.000H+ +6.000H4(SiO4) -1.500H2O
log_k 65.58 #07BLA/BOU
delta_h -372.5 kJ/mol #
# Enthalpy of formation: -10680.92 kJ/mol 00ZUE/FEH
Epsonite
Mg(SO4):7H2O = +1.000Mg+2 +1.000SO4-2 +7.000H2O
log_k -1.88 #84HAR/MOL
delta_h 10.99 kJ/mol #
# Enthalpy of formation: -3388.14 kJ/mol
Mg(NO3)2(s)
Mg(NO3)2 = +1.000Mg+2 +2.000NO3-
log_k 15.5 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Mg(NO3)2:6H2O(s)
Mg(NO3)2:6H2O = +1.000Mg+2 +2.000NO3- +6.000H2O
log_k 2.58 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
MgBr2(s)
MgBr2 = +1.000Mg+2 +2.000Br-
log_k 27.8 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
MgBr2:6H2O(s)
MgBr2:6H2O = +1.000Mg+2 +2.000Br- +6.000H2O
log_k 5.22 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
MgCl2(s)
MgCl2 = +1.000Mg+2 +2.000Cl-
log_k 22.03 #
delta_h -159.54 kJ/mol #
# Enthalpy of formation: -641.62 kJ/mol 98CHA
MgCl2:2H2O(s)
MgCl2:2H2O = +1.000Mg+2 +2.000Cl- +2.000H2O
log_k 12.9 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
MgCl2:4H2O(s)
MgCl2:4H2O = +1.000Mg+2 +2.000Cl- +4.000H2O
log_k 7.44 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Bischofite
MgCl2:6H2O = +1.000Mg+2 +2.000Cl- +6.000H2O
log_k 4.46 #84HAR/MOL
delta_h -8.71 kJ/mol #
# Enthalpy of formation: -2507.43 kJ/mol
MgCl2:H2O(s)
MgCl2:H2O = +1.000Mg+2 +2.000Cl- +1.000H2O
log_k 16.22 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
MgI2(s)
MgI2 = +1.000Mg+2 +2.000I-
log_k 35 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Mg(SO4)(s)
Mg(SO4) = +1.000Mg+2 +1.000SO4-2
log_k 9.1 #
delta_h -114.55 kJ/mol #
# Enthalpy of formation: -1261.79 kJ/mol 98CHA
Hexahydrite
Mg(SO4):6H2O = +1.000Mg+2 +1.000SO4-2 +6.000H2O
log_k -1.64 #84HAR/MOL
delta_h -4.625 kJ/mol #
# Enthalpy of formation: -3086.695 kJ/mol
Mg(SO4):H2O(s)
Mg(SO4):H2O = +1.000Mg+2 +1.000SO4-2 +1.000H2O
log_k -0.12 #84HAR/MOL
delta_h -51.464 kJ/mol #
# Enthalpy of formation: -1610.706 kJ/mol
Hydrotalcite
Mg4Al2(OH)14:3H2O = +4.000Mg+2 +2.000Al+3 -14.000H+ +17.000H2O
log_k 73.74 #91ATK/GLA
delta_h -536.41 kJ/mol #
# Enthalpy of formation: -7267.5 kJ/mol 06ALL/NAV
Magnesite(nat)
MgCO3 = +1.000Mg+2 +1.000CO3-2
log_k -8.91 #
delta_h -24.29 kJ/mol #
# Enthalpy of formation: -1117.94 kJ/mol 99KON/KON
Mg(cr)
Mg = +1.000Mg+2 +2.000e-
log_k 79.78 #
delta_h -467 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 89COX/WAG
Leonhardtite
MgSO4:4H2O = +1.000Mg+2 +1.000SO4-2 +4.000H2O
log_k -0.89 #80HAR/WEA
delta_h -24.03 kJ/mol #
# Enthalpy of formation: -2495.63 kJ/mol 74NAU/RYZ
Mg-oxychlorur
Mg2Cl(OH)3:4H2O = +2.000Mg+2 -3.000H+ +1.000Cl- +7.000H2O
log_k 26.03 #84HAR/MOL
delta_h -154.69 kJ/mol #
# Enthalpy of formation: -2947.2 kJ/mol 82WAG/EVA
Pentahydrite
MgSO4:5H2O = +1.000Mg+2 +1.000SO4-2 +5.000H2O
log_k -1.28 #80HAR/WEA
delta_h -14.187 kJ/mol #
# Enthalpy of formation: -2791.303 kJ/mol
Tachyhydrite
Mg2CaCl6:12H2O = +1.000Ca+2 +2.000Mg+2 +6.000Cl- +12.000H2O
log_k 17.38 #84HAR/MOL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
MgCrO4(s)
MgCrO4 = +1.000Mg+2 +1.000CrO4-2
log_k -86.99 #
delta_h 437.6 kJ/mol #
# Enthalpy of formation: -1783.6 kJ/mol 95ROB/HEM
Chrysotile
Mg3Si2O5(OH)4 = +3.000Mg+2 -6.000H+ +2.000H4(SiO4) +1.000H2O
log_k 33.17 #
delta_h -249.218 kJ/mol #
# Enthalpy of formation: -4360 kJ/mol 95ROB/HEM
Hydrotalcite-CO3
Mg4Al2(OH)12CO3:2H2O = +4.000Mg+2 +2.000Al+3 -12.000H+ +1.000CO3-2 +14.000H2O
log_k 50.86 #03JOH/GLA
delta_h -498.47 kJ/mol #
# Enthalpy of formation: -7123.18 kJ/mol 06ALL/NAV
Clinochlore
Mg5Al2Si3O10(OH)8 = +5.000Mg+2 +2.000Al+3 -16.000H+ +3.000H4(SiO4) +6.000H2O
log_k 60.7 #
delta_h -593.918 kJ/mol #
# Enthalpy of formation: -8916.445 kJ/mol 07VIE
Amesite
Mg4Al4Si2O10(OH)8 = +4.000Mg+2 +4.000Al+3 -20.000H+ +2.000H4(SiO4) +10.000H2O
log_k 63.59 #
delta_h -738.751 kJ/mol #
# Enthalpy of formation: -9063.537 kJ/mol 07VIE
Sudoite
Mg2Al4Si3O10(OH)8 = +2.000Mg+2 +4.000Al+3 -16.000H+ +3.000H4(SiO4) +6.000H2O
log_k 37.24 #
delta_h -530.404 kJ/mol #
# Enthalpy of formation: -8655.759 kJ/mol 07VIE
Truscottite
Ca7Si12O29(OH)4:H2O = +7.000Ca+2 -14.000H+ +12.000H4(SiO4) -14.000H2O
log_k 77.08 #
delta_h -479.091 kJ/mol #
# Enthalpy of formation: -16854.62 kJ/mol 07BLA/BOU
C2SH(alfa)
Ca2(HSiO4)(OH) = +2.000Ca+2 -4.000H+ +1.000H4(SiO4) +1.000H2O
log_k 35.54 #
delta_h -198.104 kJ/mol #
# Enthalpy of formation: -2634.92 kJ/mol 07BLA/BOU
Jaffeite
Ca6(Si2O7)(OH)6 = +6.000Ca+2 -12.000H+ +2.000H4(SiO4) +5.000H2O
log_k 114.06 #
delta_h -636.768 kJ/mol #
# Enthalpy of formation: -6972.77 kJ/mol 07BLA/BOU
Mg-Montmorillonite-Ca
Ca0.17Mg0.33Al1.68Si3.99O10(OH)2 = +0.170Ca+2 +0.330Mg+2 +1.680Al+3 -6.040H+ +3.990H4(SiO4) -3.960H2O
log_k 5.07 #
delta_h -160.38 kJ/mol #
# Enthalpy of formation: -5688.83 kJ/mol 07VIE
Mg-Montmorillonite-Mg
Mg0.17Mg0.33Al1.68Si3.99O10(OH)2 = +0.500Mg+2 +1.680Al+3 -6.040H+ +3.990H4(SiO4) -3.960H2O
log_k 4.48 #
delta_h -160.97 kJ/mol #
# Enthalpy of formation: -5675.32 kJ/mol 07VIE
Beidellite-Ca
Ca0.17Al2.34Si3.66O10(OH)2 = +0.170Ca+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O
log_k 4.42 #
delta_h -200.226 kJ/mol #
# Enthalpy of formation: -5745.32 kJ/mol 07VIE
Beidellite-Mg
Mg0.17Al2.34Si3.66O10(OH)2 = +0.170Mg+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O
log_k -0.17 #
delta_h -200.166 kJ/mol #
# Enthalpy of formation: -5732.46 kJ/mol 07VIE
Fe-Montmorillonite-Ca
Ca0.17Mg0.33Fe0.67Al1.01Si3.99O10(OH)2 = +0.170Ca+2 +0.330Mg+2 +0.670Fe+3 +1.010Al+3 -6.040H+ +3.990H4(SiO4) -3.960H2O
log_k 3.69 #
delta_h -149.802 kJ/mol #
# Enthalpy of formation: -5371.51 kJ/mol 07VIE
Fe-Montmorillonite-Mg
Mg0.17Mg0.33Fe0.67Al1.01Si3.99O10(OH)2 = +0.500Mg+2 +0.670Fe+3 +1.010Al+3 -6.040H+ +3.990H4(SiO4) -3.960H2O
log_k 3.01 #
delta_h -149.892 kJ/mol #
# Enthalpy of formation: -5358.5 kJ/mol 07VIE
Beidellite-FeCa
Ca0.17Fe0.66Al1.68Si3.66O10(OH)2 = +0.170Ca+2 +0.660Fe+3 +1.680Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O
log_k 3.09 #
delta_h -190.202 kJ/mol #
# Enthalpy of formation: -5432.34 kJ/mol 07VIE
Beidellite-FeMg
Mg0.17Fe0.66Al1.68Si3.66O10(OH)2 = +0.170Mg+2 +0.660Fe+3 +1.680Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O
log_k 2.39 #
delta_h -190.142 kJ/mol #
# Enthalpy of formation: -5419.48 kJ/mol 07VIE
Fe-Saponite-Ca
Ca0.17Fe3Al0.34Si3.66O10(OH)2 = +0.170Ca+2 +3.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O
log_k 22.43 #
delta_h -222.166 kJ/mol #
# Enthalpy of formation: -4916.58 kJ/mol 07VIE
Fe-Saponite-Mg
Mg0.17Fe3Al0.34Si3.66O10(OH)2 = +0.170Mg+2 +3.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O
log_k 21.73 #
delta_h -222.096 kJ/mol #
# Enthalpy of formation: -4903.73 kJ/mol 07VIE
Saponite-Ca
Ca0.17Mg3Al0.34Si3.66O10(OH)2 = +0.170Ca+2 +3.000Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O
log_k 30.23 #
delta_h -273.696 kJ/mol #
# Enthalpy of formation: -5996.05 kJ/mol 07VIE
Saponite-Mg
Mg3.17Al0.34Si3.66O10(OH)2 = +3.170Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O
log_k 29.53 #
delta_h -273.636 kJ/mol #
# Enthalpy of formation: -5983.19 kJ/mol 07VIE
Vermiculite-Ca
Ca0.43Mg3Si3.14Al0.86O10(OH)2 = +0.430Ca+2 +3.000Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) -0.560H2O
log_k 40.68 #
delta_h -378.219 kJ/mol #
# Enthalpy of formation: -6147.38 kJ/mol 07VIE
Vermiculite-Mg
Mg0.43Mg3Si3.14Al0.86O10(OH)2 = +3.430Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) -0.560H2O
log_k 38.8 #
delta_h -377.469 kJ/mol #
# Enthalpy of formation: -6115.45 kJ/mol 07VIE
Beidellite-Ca(hydrated)
Ca0.17Al2.34Si3.66O10(OH)2:5H2O = +0.170Ca+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) +2.360H2O
log_k 6.95 #
delta_h -198.947 kJ/mol #
# Enthalpy of formation: -7175.749 kJ/mol
Beidellite-Mg(hydrated)
Mg0.17Al2.34Si3.66O10(OH)2:5H2O = +0.170Mg+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) +2.360H2O
log_k 6.38 #
delta_h -199.611 kJ/mol #
# Enthalpy of formation: -7162.165 kJ/mol
Mg-Montmorillonite-Ca(hydrated)
Ca0.17Mg0.33Al1.68Si3.99O10(OH)2:5H2O = +0.170Ca+2 +0.330Mg+2 +1.680Al+3 -6.040H+ +3.990H4(SiO4) +1.040H2O
log_k 6.59 #
delta_h -153.339 kJ/mol #
# Enthalpy of formation: -7125.022 kJ/mol
Mg-Montmorillonite-Mg(hydrated)
Mg0.17Mg0.33Al1.68Si3.99O10(OH)2:5H2O = +0.500Mg+2 +1.680Al+3 -6.040H+ +3.990H4(SiO4) +1.040H2O
log_k 6.04 #
delta_h -154.162 kJ/mol #
# Enthalpy of formation: -7111.278 kJ/mol
Fe-Montmorillonite-Ca(hydrated)
Ca0.17Mg0.33Fe0.67Al1.01Si3.99O10(OH)2:5H2O = +0.170Ca+2 +0.330Mg+2 +0.670Fe+3 +1.010Al+3 -6.040H+ +3.990H4(SiO4) +1.040H2O
log_k 0.73 #
delta_h -117.207 kJ/mol #
# Enthalpy of formation: -6833.255 kJ/mol
Fe-Montmorillonite-Mg(hydrated)
Mg0.17Mg0.33Fe0.67Al1.01Si3.99O10(OH)2:5H2O = +0.500Mg+2 +0.670Fe+3 +1.010Al+3 -6.040H+ +3.990H4(SiO4) +1.040H2O
log_k 0.18 #
delta_h -118.031 kJ/mol #
# Enthalpy of formation: -6819.512 kJ/mol
Beidellite-FeCa(hydrated)
Ca0.17Fe0.66Al1.68Si3.66O10(OH)2:5H2O = +0.170Ca+2 +0.660Fe+3 +1.680Al+3 -7.360H+ +3.660H4(SiO4) +2.360H2O
log_k 1.17 #
delta_h -163.546 kJ/mol #
# Enthalpy of formation: -6888.146 kJ/mol
Beidellite-FeMg(hydrated)
Mg0.17Fe0.66Al1.68Si3.66O10(OH)2:5H2O = +0.170Mg+2 +0.660Fe+3 +1.680Al+3 -7.360H+ +3.660H4(SiO4) +2.360H2O
log_k 0.59 #
delta_h -164.2 kJ/mol #
# Enthalpy of formation: -6874.572 kJ/mol
Fe-Saponite-Ca(hydrated)
Ca0.17Fe3Al0.34Si3.66O10(OH)2:5H2O = +0.170Ca+2 +3.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +2.360H2O
log_k 18.4 #
delta_h -183.462 kJ/mol #
# Enthalpy of formation: -6384.434 kJ/mol
Fe-Saponite-Mg(hydrated)
Mg0.17Fe3Al0.34Si3.66O10(OH)2:5H2O = +0.170Mg+2 +3.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +2.360H2O
log_k 17.93 #
delta_h -184.715 kJ/mol #
# Enthalpy of formation: -6370.26 kJ/mol
Saponite-Ca(hydrated)
Ca0.17Mg3Al0.34Si3.66O10(OH)2:5H2O = +0.170Ca+2 +3.000Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +2.360H2O
log_k 34.38 #
delta_h -281.705 kJ/mol #
# Enthalpy of formation: -7417.19 kJ/mol
Saponite-Mg(hydrated)
Mg3.17Al0.34Si3.66O10(OH)2:5H2O = +3.170Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +2.360H2O
log_k 33.81 #
delta_h -282.359 kJ/mol #
# Enthalpy of formation: -7403.617 kJ/mol
Vermiculite-Ca(hydrated)
Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:5H2O = +0.430Ca+2 +3.000Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) +4.440H2O
log_k 43.18 #
delta_h -376.798 kJ/mol #
# Enthalpy of formation: -7577.951 kJ/mol
Vermiculite-Mg(hydrated)
Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:5H2O = +3.430Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) +4.440H2O
log_k 41.61 #
delta_h -377.827 kJ/mol #
# Enthalpy of formation: -7544.242 kJ/mol
CSH1.6
Ca1.6SiO3.6:2.58H2O = +1.600Ca+2 -3.200H+ +1.000H4(SiO4) +2.180H2O
log_k 28 #07BLA/BOU
delta_h -133.314 kJ/mol #
# Enthalpy of formation: -2819.79 kJ/mol 07BLA/BOU
CSH1.2
Ca1.2SiO3.2:2.06H2O = +1.200Ca+2 -2.400H+ +1.000H4(SiO4) +1.260H2O
log_k 19.3 #07BLA/BOU
delta_h -88.6 kJ/mol #
# Enthalpy of formation: -2384.34 kJ/mol 07BLA/BOU
CSH0.8
Ca0.8SiO2.8:1.54H2O = +0.800Ca+2 -1.600H+ +1.000H4(SiO4) +0.340H2O
log_k 11.05 #07BLA/BOU
delta_h -47.646 kJ/mol #
# Enthalpy of formation: -1945.13 kJ/mol 07BLA/BOU
MX80(hyd1)
(Ca0.01Na0.434K0.026)(Si3.612Al0.388)(Al1.608Fe0.184Fe0.038Mg0.228)O10(OH)2:5.441H2O = +0.010Ca+2 +0.228Mg+2 +0.026K+ +0.434Na+ +0.184Fe+3 +0.038Fe+2 +1.996Al+3 -7.552H+ +3.612H4(SiO4) +2.993H2O
log_k 7.09 #
delta_h -194.364 kJ/mol #
# Enthalpy of formation: -7248.81 kJ/mol 07GAI/BLA
MX80(hyd2)
(Ca0.01Na0.434K0.026)(Si3.612Al0.388)(Al1.608Fe0.184Fe0.038Mg0.228)O10(OH)2:4.183H2O = +0.010Ca+2 +0.228Mg+2 +0.026K+ +0.434Na+ +0.184Fe+3 +0.038Fe+2 +1.996Al+3 -7.552H+ +3.612H4(SiO4) +1.735H2O
log_k 6.8 #
delta_h -199.17 kJ/mol #
# Enthalpy of formation: -6884.43 kJ/mol 07GAI/BLA
Chlorite-Cca-2
(Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 = +0.011Ca+2 +2.964Mg+2 +0.215Fe+3 +1.712Fe+2 +2.483Al+3 -17.468H+ +2.633H4(SiO4) +7.468H2O
log_k 61.23 #
delta_h -632.836 kJ/mol #
# Enthalpy of formation: -8240.69 kJ/mol 06GAI
SrCrO4(s)
SrCrO4 = +1.000Sr+2 +1.000CrO4-2
log_k -4.65 #97MAR/SMI
delta_h -10.125 kJ/mol #97MAR/SMI
# Enthalpy of formation: -1419.775 kJ/mol
Sr(cr)
Sr = +1.000Sr+2 +2.000e-
log_k 98.79 #
delta_h -550.9 kJ/mol #
# Enthalpy of formation: 0 kJ/mol
Sr(OH)2:8H2O(s)
Sr(OH)2:8H2O = +1.000Sr+2 -2.000H+ +10.000H2O
log_k 24.32 #98FEL/DIX
delta_h -57 kJ/mol #
# Enthalpy of formation: -3352.2 kJ/mol 82WAG/EVA
SrSiO3(s)
SrSiO3 = +1.000Sr+2 -2.000H+ +1.000H4(SiO4) -1.000H2O
log_k 13.16 #
delta_h -80.278 kJ/mol #
# Enthalpy of formation: -1645.986 kJ/mol 74NAU/RYZ
Sr2SiO4(s)
Sr2SiO4 = +2.000Sr+2 -4.000H+ +1.000H4(SiO4)
log_k 43.25 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Sr5(PO4)3(OH)(s)
Sr5(PO4)3(OH) = +5.000Sr+2 -7.000H+ +3.000H2(PO4)- +1.000H2O
log_k 7.17 #05KIM/PAR
delta_h -261.63 kJ/mol #
# Enthalpy of formation: -6686.5 kJ/mol 95JEM/CHE
K2O(s)
K2O = +2.000K+ -2.000H+ +1.000H2O
log_k 84.11 #
delta_h -426.94 kJ/mol #
# Enthalpy of formation: -363.17 kJ/mol 98CHA
KBr(s)
KBr = +1.000K+ +1.000Br-
log_k 1.13 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
KI(s)
KI = +1.000K+ +1.000I-
log_k 1.74 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
K(NO3)(s)
K(NO3) = +1.000K+ +1.000NO3-
log_k -0.1 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
K(OH)(s)
K(OH) = +1.000K+ -1.000H+ +1.000H2O
log_k 24.6 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Sylvite
KCl = +1.000K+ +1.000Cl-
log_k 0.87 #
delta_h 17.46 kJ/mol #
# Enthalpy of formation: -436.68 kJ/mol 98CHA
K(cr)
K = +1.000K+ +1.000e-
log_k 49.49 #
delta_h -252.14 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 89COX/WAG
Sanidine
KAlSi3O8 = +1.000K+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -4.000H2O
log_k 0.58 #
delta_h -65.073 kJ/mol #
# Enthalpy of formation: -3965.73 kJ/mol 00ARN/STE
Muscovite
KAl3Si3O10(OH)2 = +1.000K+ +3.000Al+3 -10.000H+ +3.000H4(SiO4)
log_k 14 #
delta_h -276.123 kJ/mol #
# Enthalpy of formation: -5974.8 kJ/mol 95HAS/CYG
Carnallite
KMgCl3:6H2O = +1.000Mg+2 +1.000K+ +3.000Cl- +6.000H2O
log_k 4.33 #84HAR/MOL
delta_h 9.339 kJ/mol #
# Enthalpy of formation: -2944.699 kJ/mol 74NAU/RYZ
Kainite
KMgCl(SO4):3H2O = +1.000Mg+2 +1.000K+ +1.000SO4-2 +1.000Cl- +3.000H2O
log_k -0.19 #84HAR/MOL
delta_h -12.95 kJ/mol #
# Enthalpy of formation: -2640.1 kJ/mol 82WAG/EVA
Kalicinite
KHCO3 = +1.000K+ +1.000H+ +1.000CO3-2
log_k -10.06 #84HAR/MOL
delta_h 34.95 kJ/mol #
# Enthalpy of formation: -962.32 kJ/mol 74NAU/RYZ
K-carbonate
K2CO3:1.5H2O = +2.000K+ +1.000CO3-2 +1.500H2O
log_k 3.03 #84HAR/MOL
delta_h -1.188 kJ/mol #
# Enthalpy of formation: -1607.067 kJ/mol
K-trona
K2NaH(CO3)2:2H2O = +2.000K+ +1.000Na+ +1.000H+ +2.000CO3-2 +2.000H2O
log_k -9.1 #84HAR/MOL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Leonite
K2Mg(SO4)2:4H2O = +1.000Mg+2 +2.000K+ +2.000SO4-2 +4.000H2O
log_k -3.98 #84HAR/MOL
delta_h 15.29 kJ/mol #
# Enthalpy of formation: -3948.57 kJ/mol 74NAU/RYZ
Mercallite
KHSO4 = +1.000K+ +1.000H+ +1.000SO4-2
log_k -1.4 #84HAR/MOL
delta_h -0.59 kJ/mol #
# Enthalpy of formation: -1160.89 kJ/mol 74NAU/RYZ
Picromerite
K2Mg(SO4)2:6H2O = +1.000Mg+2 +2.000K+ +2.000SO4-2 +6.000H2O
log_k -4.33 #84HAR/MOL
delta_h 33.487 kJ/mol #
# Enthalpy of formation: -4538.427 kJ/mol 74NAU/RYZ
Polyhalite
K2MgCa2(SO4)4:2H2O = +2.000Ca+2 +1.000Mg+2 +2.000K+ +4.000SO4-2 +2.000H2O
log_k -13.74 #84HAR/MOL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Syngenite
K2Ca(SO4)2:6H2O = +1.000Ca+2 +2.000K+ +2.000SO4-2 +6.000H2O
log_k -7.45 #84HAR/MOL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Arcanite
K2SO4 = +2.000K+ +1.000SO4-2
log_k -1.85 #
delta_h 24.08 kJ/mol #
# Enthalpy of formation: -1437.7 kJ/mol 95ROB/HEM
KH2PO4(cr)
KH2PO4 = +1.000K+ +1.000H2(PO4)-
log_k -0.37 #
delta_h 19.686 kJ/mol #74NAU/RYZ
# Enthalpy of formation: -1574.426 kJ/mol
K2CO3(cr)
K2CO3 = +2.000K+ +1.000CO3-2
log_k 5.41 #
delta_h -31.798 kJ/mol #
# Enthalpy of formation: -1147.712 kJ/mol
KAl(SO4)2:12H2O(s)
KAl(SO4)2:12H2O = +1.000K+ +1.000Al+3 +2.000SO4-2 +12.000H2O
log_k -6.68 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
KAl(SO4)2(s)
KAl(SO4)2 = +1.000K+ +1.000Al+3 +2.000SO4-2
log_k 3.74 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
KFe3(CrO4)2(OH)6(cr)
KFe3(CrO4)2(OH)6 = +1.000K+ +3.000Fe+3 -6.000H+ +2.000CrO4-2 +6.000H2O
log_k -18.4 #95BAR/PAL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
KFe(CrO4)2:2H2O(s)
KFe(CrO4)2:2H2O = +1.000K+ +1.000Fe+3 +2.000CrO4-2 +2.000H2O
log_k -19.39 #98BAR/PAL
delta_h 27.54 kJ/mol #85BAR/PAL
# Enthalpy of formation: -2658.34 kJ/mol
Beidellite-K
K0.33Al2.33Si3.67O10(OH)2 = +0.330K+ +2.330Al+3 -7.320H+ +3.670H4(SiO4) -2.680H2O
log_k 2.31 #
delta_h -179.107 kJ/mol #
# Enthalpy of formation: -5755.13 kJ/mol 07VIE
Celadonite
KMgAlSi4O10(OH)2 = +1.000Mg+2 +1.000K+ +1.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O
log_k 9.3 #
delta_h -123.57 kJ/mol #
# Enthalpy of formation: -5835.427 kJ/mol 07VIE
Fe-celadonite
KFeAlSi4O10(OH)2 = +1.000K+ +1.000Fe+2 +1.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O
log_k 2.73 #
delta_h -83.838 kJ/mol #
# Enthalpy of formation: -5498.159 kJ/mol 07VIE
Mg-Montmorillonite-K
K0.33Mg0.33Al1.67Si4O10(OH)2 = +0.330Mg+2 +0.330K+ +1.670Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O
log_k 2.83 #
delta_h -138.561 kJ/mol #
# Enthalpy of formation: -5699.34 kJ/mol 07VIE
Fe-Montmorillonite-K
K0.33Mg0.33Fe0.67Al1.0Si4O10(OH)2 = +0.330Mg+2 +0.330K+ +0.670Fe+3 +1.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O
log_k 1.39 #
delta_h -127.503 kJ/mol #
# Enthalpy of formation: -5382.5 kJ/mol 07VIE
Beidellite-FeK
K0.33Fe0.66Al1.67Si3.67O10(OH)2 = +0.330K+ +0.660Fe+3 +1.670Al+3 -7.320H+ +3.670H4(SiO4) -2.680H2O
log_k 0.98 #
delta_h -169.093 kJ/mol #
# Enthalpy of formation: -5442.14 kJ/mol 07VIE
Fe-Saponite-K
K0.33Fe3Al0.33Si3.67O10(OH)2 = +0.330K+ +3.000Fe+2 +0.330Al+3 -7.320H+ +3.670H4(SiO4) -2.680H2O
log_k 20.31 #
delta_h -201.017 kJ/mol #
# Enthalpy of formation: -4926.42 kJ/mol 07VIE
Saponite-K
K0.33Mg3Al0.33Si3.67O10(OH)2 = +3.000Mg+2 +0.330K+ +0.330Al+3 -7.320H+ +3.670H4(SiO4) -2.680H2O
log_k 28.1 #
delta_h -252.497 kJ/mol #
# Enthalpy of formation: -6005.94 kJ/mol 07VIE
Illite-Mg
K0.85Mg0.25Al2.35Si3.4O10(OH)2 = +0.250Mg+2 +0.850K+ +2.350Al+3 -8.400H+ +3.400H4(SiO4) -1.600H2O
log_k 10.25 #
delta_h -222.133 kJ/mol #
# Enthalpy of formation: -5884.908 kJ/mol 07VIE
Illite-FeII
K0.85Fe0.25Al2.35Si3.4O10(OH)2 = +0.850K+ +0.250Fe+2 +2.350Al+3 -8.400H+ +3.400H4(SiO4) -1.600H2O
log_k 7.86 #
delta_h -207.942 kJ/mol #
# Enthalpy of formation: -5804.849 kJ/mol 07VIE
illite-FeIII
K0.85Fe0.25Al2.6Si3.15O10(OH)2 = +0.850K+ +0.250Fe+3 +2.600Al+3 -9.400H+ +3.150H4(SiO4) -0.600H2O
log_k 10.07 #
delta_h -252.345 kJ/mol #
# Enthalpy of formation: -5805.328 kJ/mol 07VIE
Illite-Al
K0.85Al2.85Si3.15O10(OH)2 = +0.850K+ +2.850Al+3 -9.400H+ +3.150H4(SiO4) -0.600H2O
log_k 10.44 #
delta_h -254.658 kJ/mol #
# Enthalpy of formation: -5925.364 kJ/mol 07VIE
Vermiculite-K
K0.85Mg3Si3.15Al0.85O10(OH)2 = +3.000Mg+2 +0.850K+ +0.850Al+3 -9.400H+ +3.150H4(SiO4) -0.600H2O
log_k 36.86 #
delta_h -331.639 kJ/mol #
# Enthalpy of formation: -6172.584 kJ/mol 07VIE
Beidellite-K(hydrated)
K0.33Al2.33Si3.67O10(OH)2:5H2O = +0.330K+ +2.330Al+3 -7.320H+ +3.670H4(SiO4) +2.320H2O
log_k 6.74 #
delta_h -188.653 kJ/mol #
# Enthalpy of formation: -7174.733 kJ/mol
Mg-Montmorillonite-K(hydrated)
K0.33Mg0.33Al1.67Si4O10(OH)2:5H2O = +0.330Mg+2 +0.330K+ +1.670Al+3 -6.000H+ +4.000H4(SiO4) +1.000H2O
log_k 6.09 #
delta_h -141.445 kJ/mol #
# Enthalpy of formation: -7125.606 kJ/mol
Fe-Montmorillonite-K(hydrated)
K0.33Mg0.33Fe0.67Al1.00Si4O10(OH)2:5H2O = +0.330Mg+2 +0.330K+ +0.670Fe+3 +1.000Al+3 -6.000H+ +4.000H4(SiO4) +1.000H2O
log_k 0.24 #
delta_h -105.197 kJ/mol #
# Enthalpy of formation: -6833.956 kJ/mol
Beidellite-FeK(hydrated)
K0.33Fe0.66Al1.67Si3.67O10(OH)2:5H2O = +0.330K+ +0.660Fe+3 +1.670Al+3 -7.320H+ +3.670H4(SiO4) +2.320H2O
log_k 0.85 #
delta_h -152.655 kJ/mol #
# Enthalpy of formation: -6887.728 kJ/mol
Fe-Saponite-K(hydrated)
K0.33Fe3Al0.33Si3.67O10(OH)2:5H2O = +0.330K+ +3.000Fe+2 +0.330Al+3 -7.320H+ +3.670H4(SiO4) +2.320H2O
log_k 18.07 #
delta_h -172.533 kJ/mol #
# Enthalpy of formation: -6384.054 kJ/mol
Saponite-K(hydrated)
K0.33Mg3Al0.33Si3.67O10(OH)2:5H2O = +3.000Mg+2 +0.330K+ +0.330Al+3 -7.320H+ +3.670H4(SiO4) +2.320H2O
log_k 34.05 #
delta_h -270.741 kJ/mol #
# Enthalpy of formation: -7416.846 kJ/mol
Vermiculite-K(hydrated)
K0.85Mg3.00Si3.15Al0.85O10(OH)2:5H2O = +3.000Mg+2 +0.850K+ +0.850Al+3 -9.400H+ +3.150H4(SiO4) +4.400H2O
log_k 43.31 #
delta_h -352.755 kJ/mol #
# Enthalpy of formation: -7580.618 kJ/mol
Thermonatrite
Na2(CO3):H2O = +2.000Na+ +1.000CO3-2 +1.000H2O
log_k 0.48 #84HAR/MOL
delta_h -12.04 kJ/mol #
# Enthalpy of formation: -1429.7 kJ/mol 82VAN
Dawsonite
NaAl(CO3)(OH)2 = +1.000Na+ +1.000Al+3 -2.000H+ +1.000CO3-2 +2.000H2O
log_k -6 #
delta_h -61.63 kJ/mol #
# Enthalpy of formation: -1964 kJ/mol 76FER/STU
Na2O(cr)
Na2O = +2.000Na+ -2.000H+ +1.000H2O
log_k 67.46 #
delta_h -351.71 kJ/mol #
# Enthalpy of formation: -414.8 kJ/mol 95ROB/HEM
Halite
NaCl = +1.000Na+ +1.000Cl-
log_k 1.59 #
delta_h 3.7 kJ/mol #
# Enthalpy of formation: -411.12 kJ/mol 98CHA
NaF(s)
NaF = +1.000Na+ +1.000F-
log_k -0.48 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Nahcolite
Na(HCO3) = +1.000Na+ +1.000H+ +1.000CO3-2
log_k -10.74 #84HAR/MOL
delta_h 33.43 kJ/mol #
# Enthalpy of formation: -949 kJ/mol 82VAN
Na(NO3)(s)
Na(NO3) = +1.000Na+ +1.000NO3-
log_k 1.09 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Natron
Na2(CO3):10H2O = +2.000Na+ +1.000CO3-2 +10.000H2O
log_k -0.83 #84HAR/MOL
delta_h 64.87 kJ/mol #
# Enthalpy of formation: -4079 kJ/mol
NaBO2(s)
NaBO2 = +1.000Na+ +1.000B(OH)4- -2.000H2O
log_k 3.62 #
delta_h -36.79 kJ/mol #
# Enthalpy of formation: -977.006 kJ/mol
NaAmO2CO3(s)
NaAmO2CO3 = +1.000Na+ +1.000AmO2+ +1.000CO3-2
log_k -10.9 #94GIF, 94RUN/KIM, 94RUN/NEU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Albite-low
NaAlSi3O8 = +1.000Na+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -4.000H2O
log_k 2.74 #
delta_h -82.813 kJ/mol #
# Enthalpy of formation: -3936.19 kJ/mol 00ARN/STE
Albite-high
NaAlSi3O8 = +1.000Na+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -4.000H2O
log_k 4.14 #
delta_h -95.623 kJ/mol #
# Enthalpy of formation: -3923.38 kJ/mol 00ARN/STE
Bloedite
Na2Mg(SO4)2:4H2O = +1.000Mg+2 +2.000Na+ +2.000SO4-2 +4.000H2O
log_k -2.35 #84HAR/MOL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Burkeite
Na6(CO3)(SO4)2 = +6.000Na+ +1.000CO3-2 +2.000SO4-2
log_k -0.77 #84HAR/MOL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Glaserite
Na2K6(SO4)4 = +6.000K+ +2.000Na+ +4.000SO4-2
log_k -7.61 #80HAR/WEA
delta_h 78.36 kJ/mol #
# Enthalpy of formation: -5709.24 kJ/mol
Glauberite
Na2Ca(SO4)2 = +1.000Ca+2 +2.000Na+ +2.000SO4-2
log_k 1.97 #84HAR/MOL
delta_h -13.16 kJ/mol #
# Enthalpy of formation: -2829.2 kJ/mol 82WAG/EVA
Mirabilite
Na2SO4:10H2O = +2.000Na+ +1.000SO4-2 +10.000H2O
log_k -1.23 #84HAR/MOL
delta_h 79.471 kJ/mol #
# Enthalpy of formation: -4327.791 kJ/mol
Thernardite
Na2SO4 = +2.000Na+ +1.000SO4-2
log_k -0.36 #
delta_h -2.2 kJ/mol #
# Enthalpy of formation: -1387.82 kJ/mol 98CHA
Na(cr)
Na = +1.000Na+ +1.000e-
log_k 45.89 #
delta_h -240.34 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 92GRE/FUG (89COX/WAG)
Na2(CO3)(cr)
Na2(CO3) = +2.000Na+ +1.000CO3-2
log_k 1.12 #
delta_h -26.71 kJ/mol #
# Enthalpy of formation: -1129.2 kJ/mol 95ROB/HEM
NaH2PO4(cr)
NaH2PO4 = +1.000Na+ +1.000H2(PO4)-
log_k 2.3 #
delta_h -6.14 kJ/mol #
# Enthalpy of formation: -1536.8 kJ/mol 82WAG/EVA
Na2HPO4(cr)
Na2HPO4 = +2.000Na+ -1.000H+ +1.000H2(PO4)-
log_k 9.24 #
delta_h -35.18 kJ/mol #
# Enthalpy of formation: -1748.1 kJ/mol 82WAG/EVA
Na3PO4(cr)
Na3PO4 = +3.000Na+ -2.000H+ +1.000H2(PO4)-
log_k 23.52 #
delta_h -106.218 kJ/mol #
# Enthalpy of formation: -1917.402 kJ/mol 74NAU/RIZ
Trona
Na3H(CO3)2:2H2O = +3.000Na+ +1.000H+ +2.000CO3-2 +2.000H2O
log_k -11.38 #84HAR/MOL
delta_h 38.96 kJ/mol #
# Enthalpy of formation: -2682.1 kJ/mol 82VAN
Pirssonite
Na2Ca(CO3)2:2H2O = +1.000Ca+2 +2.000Na+ +2.000CO3-2 +2.000H2O
log_k -8.91 #99KON/KON
delta_h 9.58 kJ/mol #
# Enthalpy of formation: -2955.38 kJ/mol
Na2CO3:7H2O(s)
Na2CO3:7H2O = +2.000Na+ +1.000CO3-2 +7.000H2O
log_k -0.46 #84HAR/MOL
delta_h 42.682 kJ/mol #
# Enthalpy of formation: -3199.402 kJ/mol
NaSm(CO3)2:5H2O(s)
NaSm(CO3)2:5H2O = +1.000Na+ +1.000Sm+3 +2.000CO3-2 +5.000H2O
log_k -20.99 #Estimated by ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
NaEu(CO3)2:5H2O(s)
NaEu(CO3)2:5H2O = +1.000Na+ +1.000Eu+3 +2.000CO3-2 +5.000H2O
log_k -20.9 #05VER/VIT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
NaHo(CO3)2:5H2O(s)
NaHo(CO3)2:5H2O = +1.000Na+ +1.000Ho+3 +2.000CO3-2 +5.000H2O
log_k -20.5 #Estimated by ionic radii correlation
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
NaCm(CO3)2:5H2O(s)
NaCm(CO3)2:5H2O = +1.000Na+ +2.000CO3-2 +1.000Cm+3 +5.000H2O
log_k -21 #estimated by correlation with Ln(III) and An(III)
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Beidellite-Na
Na0.33Al2.33Si3.67O10(OH)2 = +0.330Na+ +2.330Al+3 -7.320H+ +3.670H4(SiO4) -2.680H2O
log_k 3.73 #
delta_h -188.903 kJ/mol #
# Enthalpy of formation: -5741.44 kJ/mol 07VIE
Litharge
PbO = +1.000Pb+2 -2.000H+ +1.000H2O
log_k 12.63 #
delta_h -65.501 kJ/mol #
# Enthalpy of formation: -219.409 kJ/mol 98CHA
Clausthalite
PbSe = +1.000Pb+2 -1.000H+ +1.000HSe-
log_k -20.53 #
delta_h 113.72 kJ/mol #
# Enthalpy of formation: -98.5 kJ/mol 05OLI/NOL
Massicot
PbO = +1.000Pb+2 -2.000H+ +1.000H2O
log_k 12.74 #
delta_h -66.848 kJ/mol #
# Enthalpy of formation: -218.062 kJ/mol 98CHA
Laurionite
PbClOH = +1.000Pb+2 -1.000H+ +1.000Cl- +1.000H2O
log_k 0.62 #99LOT/OCH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Plumbonacrite
Pb10(CO3)6O(OH)6 = +10.000Pb+2 -8.000H+ +6.000CO3-2 +7.000H2O
log_k -42.09 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Phosgenite
Pb2(CO3)Cl2 = +2.000Pb+2 +1.000CO3-2 +2.000Cl-
log_k 19.9 #74NAU/RYZ
delta_h -163.291 kJ/mol #
# Enthalpy of formation: -844.259 kJ/mol
Lanarkite
PbSO4:PbO = +2.000Pb+2 -2.000H+ +1.000SO4-2 +1.000H2O
log_k 2.63 #82ABD/THO
delta_h -39.234 kJ/mol #
# Enthalpy of formation: -1154.096 kJ/mol
Alamosite
PbSiO3 = +1.000Pb+2 -2.000H+ +1.000H4(SiO4) -1.000H2O
log_k 6.17 #
delta_h -29.451 kJ/mol #
# Enthalpy of formation: -1144.993 kJ/mol 98CHA
PbSiO3(Glass)
PbSiO3 = +1.000Pb+2 -2.000H+ +1.000H4(SiO4) -1.000H2O
log_k 6.6 #
delta_h -36.814 kJ/mol #
# Enthalpy of formation: -1137.63 kJ/mol 74NAU/RYZ
Pb4O(PO4)2(cr)
Pb4O(PO4)2 = +4.000Pb+2 -6.000H+ +2.000H2(PO4)- +1.000H2O
log_k 2.24 #74NRI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Pyromorphite
Pb5Cl(PO4)3 = +5.000Pb+2 -6.000H+ +1.000Cl- +3.000H2(PO4)-
log_k -25.75 #74NRI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Pyromorphite-F
Pb5F(PO4)3 = +5.000Pb+2 -6.000H+ +1.000F- +3.000H2(PO4)-
log_k -13.1 #74NRI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Pyromorphite-Br
Pb5Br(PO4)3 = +5.000Pb+2 -6.000H+ +1.000Br- +3.000H2(PO4)-
log_k -19.45 #74NRI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Plumbogummite
PbAl3(PO4)2(OH)5 = +1.000Pb+2 +3.000Al+3 -9.000H+ +2.000H2(PO4)- +5.000H2O
log_k 13.24 #74NRI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Pb(H2PO4)2(cr)
Pb(H2PO4)2 = +1.000Pb+2 +2.000H2(PO4)-
log_k -9.84 #74NRI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Pb(OH)2(s)
Pb(OH)2 = +1.000Pb+2 -2.000H+ +2.000H2O
log_k 13.51 #
delta_h -56.14 kJ/mol #
# Enthalpy of formation: -514.6 kJ/mol 52LAT
Crocoite
PbCrO4 = +1.000Pb+2 +1.000CrO4-2
log_k -12.55 #42KOL/PER
delta_h 48.94 kJ/mol #
# Enthalpy of formation: -927.02 kJ/mol 75DEL/MCC
Cotunnite
PbCl2 = +1.000Pb+2 +2.000Cl-
log_k -4.81 #
delta_h 26.16 kJ/mol #
# Enthalpy of formation: -359.4 kJ/mol 98CHA
Paralaurionite
PbCl(OH) = +1.000Pb+2 -1.000H+ +1.000Cl- +1.000H2O
log_k 0.62 #99LOT/OCH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Co(SeO3):2H2O(s)
Co(SeO3):2H2O = +1.000Co+2 +1.000SeO3-2 +2.000H2O
log_k -7.9 #05OLI/NOL
delta_h -20.86 kJ/mol #
# Enthalpy of formation: -1115.56 kJ/mol 05OLI/NOL
Co(SeO4):6H2O(s)
Co(SeO4):6H2O = +1.000Co+2 +1.000SeO4-2 +6.000H2O
log_k -1.76 #05OLI/NOL
delta_h -3.299 kJ/mol #
# Enthalpy of formation: -2372.781 kJ/mol
CoSe2(cr)
CoSe2 = +1.000Co+2 -2.000H+ -2.000e- +2.000HSe-
log_k -23.09 #
delta_h 76.5 kJ/mol #
# Enthalpy of formation: -105.5 kJ/mol 05OLI/NOL
Co0.84Se(cr)
Co0.84Se = +0.840Co+2 -1.000H+ -0.320e- +1.000HSe-
log_k -9.3 #
delta_h 21.316 kJ/mol #
# Enthalpy of formation: -55.4 kJ/mol 05OLI/NOL
Co(cr)
Co = +1.000Co+2 +2.000e-
log_k 9.74 #
delta_h -57.6 kJ/mol #
# Enthalpy of formation: 0 kJ/mol
Co(OH)2(s,rose1)
Co(OH)2 = +1.000Co+2 -2.000H+ +2.000H2O
log_k 12.2 #98PLY/ZHA
delta_h -88.46 kJ/mol #
# Enthalpy of formation: -540.8 kJ/mol 98PLY/ZHA
Co(OH)2(s,rose2)
Co(OH)2 = +1.000Co+2 -2.000H+ +2.000H2O
log_k 13.2 #98PLY/ZHA
delta_h -93.56 kJ/mol #
# Enthalpy of formation: -535.7 kJ/mol 98PLY/ZHA
Co(OH)2(s,blue)
Co(OH)2 = +1.000Co+2 -2.000H+ +2.000H2O
log_k 13.8 #98PLY/ZHA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
CoO(s)
CoO = +1.000Co+2 -2.000H+ +1.000H2O
log_k 13.77 #
delta_h -105.53 kJ/mol #
# Enthalpy of formation: -237.9 kJ/mol 95ROB/HEM
Co3O4(s)
Co3O4 = +3.000Co+2 -8.000H+ -2.000e- +4.000H2O
log_k 54.86 #
delta_h -397.3 kJ/mol #
# Enthalpy of formation: -918.8 kJ/mol 95ROB/HEM
Sphaerocobaltite
CoCO3 = +1.000Co+2 +1.000CO3-2
log_k -11.2 #99GRA
delta_h -9.421 kJ/mol #
# Enthalpy of formation: -723.409 kJ/mol
Co2SiO4(s)
Co2SiO4 = +2.000Co+2 -4.000H+ +1.000H4(SiO4)
log_k 7.35 #
delta_h -99.394 kJ/mol #
# Enthalpy of formation: -1477 kJ/mol 82WAG/EVA
CoHPO4(s)
CoHPO4 = +1.000Co+2 -1.000H+ +1.000H2(PO4)-
log_k 0.49 #84VIE/TAR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Co3(PO4)2(s)
Co3(PO4)2 = +3.000Co+2 -4.000H+ +2.000H2(PO4)-
log_k 4.36 #84VIE/TAR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
CoSO4(s)
CoSO4 = +1.000Co+2 +1.000SO4-2
log_k 3.01 #
delta_h -78.68 kJ/mol #
# Enthalpy of formation: -888.26 kJ/mol 98CHA
CoSO4:H2O(s)
CoSO4:H2O = +1.000Co+2 +1.000SO4-2 +1.000H2O
log_k -1.05 #
delta_h -52.05 kJ/mol #
# Enthalpy of formation: -1200.72 kJ/mol 74NAU/RYZ
CoSO4:6H2O(s)
CoSO4:6H2O = +1.000Co+2 +1.000SO4-2 +6.000H2O
log_k -2.2 #
delta_h 1.57 kJ/mol #
# Enthalpy of formation: -2683.49 kJ/mol 74NAU/RYZ
Bieberite
CoSO4:7H2O = +1.000Co+2 +1.000SO4-2 +7.000H2O
log_k -2.35 #
delta_h 11.84 kJ/mol #
# Enthalpy of formation: -2979.59 kJ/mol 74NAU/RYZ
CoS(alpha)
CoS = +1.000Co+2 -1.000H+ +1.000HS-
log_k -7.44 #90DYR/KRE
delta_h 11.836 kJ/mol #
# Enthalpy of formation: -85.736 kJ/mol
CoS(beta)
CoS = +1.000Co+2 -1.000H+ +1.000HS-
log_k -11.07 #90DYR/KRE
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Cattierite
CoS2 = +1.000Co+2 -2.000H+ -2.000e- +2.000HS-
log_k -19.98 #
delta_h 60.7 kJ/mol #
# Enthalpy of formation: -150.9 kJ/mol 95ROB/HEM
Linnaeite
Co3S4 = +3.000Co+2 -4.000H+ -2.000e- +4.000HS-
log_k -42.76 #
delta_h 136.5 kJ/mol #
# Enthalpy of formation: -374.5 kJ/mol 95ROB/HEM
Mg-Montmorillonite-Na
Na0.33Mg0.33Al1.67Si4O10(OH)2 = +0.330Mg+2 +0.330Na+ +1.670Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O
log_k 4.33 #
delta_h -148.827 kJ/mol #
# Enthalpy of formation: -5685.18 kJ/mol 07VIE
Fe-Montmorillonite-Na
Na0.33Mg0.33Fe0.67Al1.0Si4O10(OH)2 = +0.330Mg+2 +0.330Na+ +0.670Fe+3 +1.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O
log_k 2.89 #
delta_h -137.779 kJ/mol #
# Enthalpy of formation: -5368.33 kJ/mol 07VIE
Beidellite-FeNa
Na0.33Fe0.66Al1.67Si3.67O10(OH)2 = +0.330Na+ +0.660Fe+3 +1.670Al+3 -7.320H+ +3.670H4(SiO4) -2.680H2O
log_k 2.4 #
delta_h -178.899 kJ/mol #
# Enthalpy of formation: -5428.44 kJ/mol 07VIE
Fe-Saponite-Na
Na0.33Fe3Al0.33Si3.67O10(OH)2 = +0.330Na+ +3.000Fe+2 +0.330Al+3 -7.320H+ +3.670H4(SiO4) -2.680H2O
log_k 21.73 #
delta_h -210.823 kJ/mol #
# Enthalpy of formation: -4912.72 kJ/mol 07VIE
Saponite-Na
Na0.33Mg3Al0.33Si3.67O10(OH)2 = +3.000Mg+2 +0.330Na+ +0.330Al+3 -7.320H+ +3.670H4(SiO4) -2.680H2O
log_k 29.52 #
delta_h -262.303 kJ/mol #
# Enthalpy of formation: -5992.24 kJ/mol 07VIE
Vermiculite-Na
Na0.85Mg3Si3.15Al0.85O10(OH)2 = +3.000Mg+2 +0.850Na+ +0.850Al+3 -9.400H+ +3.150H4(SiO4) -0.600H2O
log_k 40.17 #
delta_h -354.987 kJ/mol #
# Enthalpy of formation: -6139.206 kJ/mol 07VIE
Beidellite-Na(hydrated)
Na0.33Al2.33Si3.67O10(OH)2:5H2O = +0.330Na+ +2.330Al+3 -7.320H+ +3.670H4(SiO4) +2.320H2O
log_k 6.88 #
delta_h -191.184 kJ/mol #
# Enthalpy of formation: -7168.308 kJ/mol
Mg-Montmorillonite-Na(hydrated)
Na0.33Mg0.33Al1.67Si4O10(OH)2:5H2O = +0.330Mg+2 +0.330Na+ +1.670Al+3 -6.000H+ +4.000H4(SiO4) +1.000H2O
log_k 6.4 #
delta_h -144.936 kJ/mol #
# Enthalpy of formation: -7118.221 kJ/mol
Fe-Montmorillonite-Na(hydrated)
Na0.33Mg0.33Fe0.67Al1.00Si4O10(OH)2:5H2O = +0.330Mg+2 +0.330Na+ +0.670Fe+3 +1.000Al+3 -6.000H+ +4.000H4(SiO4) +1.000H2O
log_k 0.54 #
delta_h -108.688 kJ/mol #
# Enthalpy of formation: -6826.571 kJ/mol
Beidellite-FeNa(hydrated)
Na0.33Fe0.66Al1.67Si3.67O10(OH)2:5H2O = +0.330Na+ +0.660Fe+3 +1.670Al+3 -7.320H+ +3.670H4(SiO4) +2.320H2O
log_k 1.1 #
delta_h -155.786 kJ/mol #
# Enthalpy of formation: -6880.703 kJ/mol
Fe-Saponite-Na(hydrated)
Na0.33Fe3Al0.33Si3.67O10(OH)2:5H2O = +0.330Na+ +3.000Fe+2 +0.330Al+3 -7.320H+ +3.670H4(SiO4) +2.320H2O
log_k 18.32 #
delta_h -175.662 kJ/mol #
# Enthalpy of formation: -6377.031 kJ/mol
Saponite-Na(hydrated)
Na0.33Mg3Al0.33Si3.67O10(OH)2:5H2O = +3.000Mg+2 +0.330Na+ +0.330Al+3 -7.320H+ +3.670H4(SiO4) +2.320H2O
log_k 34.3 #
delta_h -273.873 kJ/mol #
# Enthalpy of formation: -7409.82 kJ/mol
Vermiculite-Na(hydrated)
Na0.85Mg3.00Si3.15Al0.85O10(OH)2:5H2O = +3.000Mg+2 +0.850Na+ +0.850Al+3 -9.400H+ +3.150H4(SiO4) +4.400H2O
log_k 43.68 #
delta_h -359.36 kJ/mol #
# Enthalpy of formation: -7563.982 kJ/mol
ISCz-1(hyd)
(Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.966H2O = +0.218Mg+2 +0.530K+ +0.134Na+ +0.050Fe+3 +0.017Fe+2 +2.152Al+3 -7.740H+ +3.565H4(SiO4) +0.706H2O
log_k 12.05 #
delta_h -216.866 kJ/mol #
# Enthalpy of formation: -6624.35 kJ/mol 07GAI/BLA
ISCz-1(des)
(Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2 = +0.218Mg+2 +0.530K+ +0.134Na+ +0.050Fe+3 +0.017Fe+2 +2.152Al+3 -7.740H+ +3.565H4(SiO4) -2.260H2O
log_k 12.91 #
delta_h -232.234 kJ/mol #
# Enthalpy of formation: -5761.21 kJ/mol 07GAI/BLA
Illite-Imt-2
(Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 = +0.241Mg+2 +0.762K+ +0.044Na+ +0.292Fe+3 +0.084Fe+2 +2.040Al+3 -8.452H+ +3.387H4(SiO4) -1.548H2O
log_k 11.08 #
delta_h -229.127 kJ/mol #
# Enthalpy of formation: -5712.93 kJ/mol 07GAI/BLA
Lepidocrocite
FeOOH = +1.000Fe+3 -3.000H+ +2.000H2O
log_k 0.75 #98DIA in 98CHI
delta_h -64.26 kJ/mol #
# Enthalpy of formation: -556.4 kJ/mol
Maghemite(ord)
Fe2O3 = +2.000Fe+3 -6.000H+ +3.000H2O
log_k 3.52 #98DIA in 98CHI
delta_h -149.69 kJ/mol #
# Enthalpy of formation: -805.8 kJ/mol
Maghemite(disord)
Fe2O3 = +2.000Fe+3 -6.000H+ +3.000H2O
log_k 3.31 #98DIA in 98CHI
delta_h -149.69 kJ/mol #
# Enthalpy of formation: -805.8 kJ/mol
Ferryhydrite
Fe(OH)3 = +1.000Fe+3 -3.000H+ +3.000H2O
log_k 1.19 #05GRI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
FeAl2O4(s)
FeAl2O4 = +1.000Fe+2 +2.000Al+3 -8.000H+ +4.000H2O
log_k 27.2 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Fe5(OH)(PO4)3(s)
Fe5(OH)(PO4)3 = +5.000Fe+2 -7.000H+ +3.000H2(PO4)- +1.000H2O
log_k -402.32 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
FeO(s)
FeO = +1.000Fe+2 -2.000H+ +1.000H2O
log_k 13.37 #95ROB/HEM
delta_h -103.83 kJ/mol #
# Enthalpy of formation: -272 kJ/mol
Lawrencite
FeCl2 = +1.000Fe+2 +2.000Cl-
log_k 8.89 #
delta_h -82.46 kJ/mol #
# Enthalpy of formation: -341.7 kJ/mol 95ROB/HEM
Fe(s)
Fe = +1.000Fe+2 +2.000e-
log_k 15.86 #95PAR/KHO in 98CHI
delta_h -90 kJ/mol #
# Enthalpy of formation: 0 kJ/mol
Vivianite
Fe3(PO4)2:8H2O = +3.000Fe+2 -4.000H+ +2.000H2(PO4)- +8.000H2O
log_k 3.12 #
delta_h -9.561 kJ/mol #
# Enthalpy of formation: -5152.279 kJ/mol
Magnetite
Fe3O4 = +2.000Fe+3 +1.000Fe+2 -8.000H+ +4.000H2O
log_k 10.41 #
delta_h -215.92 kJ/mol #
# Enthalpy of formation: -1115.4 kJ/mol 88ONE
Fayalite
Fe2(SiO4) = +2.000Fe+2 -4.000H+ +1.000H4(SiO4)
log_k 19.51 #
delta_h -163.054 kJ/mol #
# Enthalpy of formation: -1478.14 kJ/mol 95ROB/HEM
Troilite
FeS = +1.000Fe+2 -1.000H+ +1.000HS-
log_k -5.31 #91DAV
delta_h 2.015 kJ/mol #
# Enthalpy of formation: -108.315 kJ/mol
Mackinawite
FeS = +1.000Fe+2 -1.000H+ +1.000HS-
log_k -3.6 #91DAV
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
FeS(am)
FeS = +1.000Fe+2 -1.000H+ +1.000HS-
log_k -2.95 #91DAV
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ferroselite
FeSe2 = +1.000Fe+2 -2.000H+ -2.000e- +2.000HSe-
log_k -17.13 #05OLI/NOL
delta_h 47.3 kJ/mol #
# Enthalpy of formation: -108.7 kJ/mol 05OLI/NOL
Melanterite
FeSO4:7H2O = +1.000Fe+2 +1.000SO4-2 +7.000H2O
log_k -2.21 #90NOR/PLU
delta_h 20.543 kJ/mol #
# Enthalpy of formation: -3020.693 kJ/mol
Fe7Se8(alfa)
Fe7Se8 = +7.000Fe+2 -8.000H+ -2.000e- +8.000HSe-
log_k -35.6 #
delta_h -52.1 kJ/mol #
# Enthalpy of formation: -463.5 kJ/mol 05OLI/NOL
Fe3Se4(gamma)
Fe3Se4 = +3.000Fe+2 -4.000H+ -2.000e- +4.000HSe-
log_k -25.6 #
delta_h 22.2 kJ/mol #
# Enthalpy of formation: -235 kJ/mol 05OLI/NOL
Fe1.04Se(beta)
Fe1.04Se = +1.040Fe+2 -1.000H+ +0.080e- +1.000HSe-
log_k -3.4 #
delta_h -9.7 kJ/mol #
# Enthalpy of formation: -69.6 kJ/mol 05OLI/NOL
Compreignacite
K2(UO2)6O4(OH)6:7H2O = +2.000K+ +17.000H2O -14.000H+ +6.000UO2+2
log_k 35.8 #08GOR/FEI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Sodium-compreignacite
Na2(UO2)6O4(OH)6:7H2O = +2.000Na+ +6.000UO2+2 +17.000H2O -14.000H+
log_k 39.4 #08GOR/FEI
delta_h -517.39 kJ/mol #
# Enthalpy of formation: -10936.4 kJ/mol 06KUB/HEL
Clarkeite
Na(UO2)O(OH) = +1.000UO2+2 -3.000H+ +1.000Na+ +2.000H2O
log_k 9.4 #08GOR/FEI
delta_h -106.3 kJ/mol #
# Enthalpy of formation: -1724.7 kJ/mol 06KUB/HEL
Chromite
FeCr2O4 = +1.000Fe+2 -8.000H+ +2.000Cr+3 +4.000H2O
log_k 15.12 #
delta_h -268.82 kJ/mol #
# Enthalpy of formation: -1445.5 kJ/mol 95ROB/HEM
Chamosite
Fe5Al2Si3O10(OH)8 = +5.000Fe+2 +2.000Al+3 -16.000H+ +3.000H4(SiO4) +6.000H2O
log_k 41.89 #
delta_h -472.892 kJ/mol #
# Enthalpy of formation: -7152.471 kJ/mol 07VIE
Berthierine
Fe1.82Fe0.34Al0.67(Si1.33Al0.67O5)(OH)4 = +0.340Fe+3 +1.820Fe+2 +1.340Al+3 -8.680H+ +1.330H4(SiO4) +3.680H2O
log_k 25.97 #
delta_h -302.108 kJ/mol #
# Enthalpy of formation: -3595.051 kJ/mol
Mn3(PO4)2:3H2O(s)
Mn3(PO4)2:3H2O = +3.000Mn+2 -4.000H+ +2.000H2(PO4)- +3.000H2O
log_k 2.32 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Mn3(PO4)2(s)
Mn3(PO4)2 = +3.000Mn+2 -4.000H+ +2.000H2(PO4)-
log_k 15.32 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
MnCl2:2H2O(s)
MnCl2:2H2O = +1.000Mn+2 +2.000Cl- +2.000H2O
log_k 3.98 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
MnCl2:4H2O(s)
MnCl2:4H2O = +1.000Mn+2 +2.000Cl- +4.000H2O
log_k 2.71 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
MnCl2:H2O(s)
MnCl2:H2O = +1.000Mn+2 +2.000Cl- +1.000H2O
log_k 5.53 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Mn(HPO4)(s)
Mn(HPO4) = +1.000Mn+2 -1.000H+ +1.000H2(PO4)-
log_k -5.74 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
MnO(s)
MnO = +1.000Mn+2 -2.000H+ +1.000H2O
log_k 17.9 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Mn(SO4)(s)
Mn(SO4) = +1.000Mn+2 +1.000SO4-2
log_k -2.68 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Manganite
MnOOH = +1.000Mn+2 -3.000H+ -1.000e- +2.000H2O
log_k 25.27 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Sacchite
MnCl2 = +1.000Mn+2 +2.000Cl-
log_k 8.77 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
MnSe2(cr)
MnSe2 = +1.000Mn+2 -2.000H+ -2.000e- +2.000HSe-
log_k -8.15 #
delta_h -11.7 kJ/mol #
# Enthalpy of formation: -180.5 kJ/mol 05OLI/NOL
Cu(cr)
Cu = +1.000Cu+2 +2.000e-
log_k -11.39 #
delta_h 64.9 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 01LEM/FUG
Cu(SeO4):5H2O(s)
Cu(SeO4):5H2O = +1.000Cu+2 +1.000SeO4-2 +5.000H2O
log_k -2.44 #05OLI/NOL
delta_h 5.58 kJ/mol #
# Enthalpy of formation: -1973.33 kJ/mol 05OLI/NOL
CuSe(beta)
CuSe = +1.000Cu+2 -1.000H+ +1.000HSe-
log_k -25.13 #
delta_h 116 kJ/mol #
# Enthalpy of formation: -36.8 kJ/mol 05OLI/NOL
Ba(cr)
Ba = +1.000Ba+2 +2.000e-
log_k 97.7 #
delta_h -534.8 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 92GRE/FUG
BaCl2:H2O(s)
BaCl2:H2O = +1.000Ba+2 +2.000Cl- +1.000H2O
log_k 0.28 #
delta_h 5.746 kJ/mol #
# Enthalpy of formation: -1160.536 kJ/mol
BaCl2:2H2O(s)
BaCl2:2H2O = +1.000Ba+2 +2.000Cl- +2.000H2O
log_k -0.34 #
delta_h 19.418 kJ/mol #
# Enthalpy of formation: -1460.038 kJ/mol
BaHPO4(s)
BaHPO4 = +1.000Ba+2 -1.000H+ +1.000H2(PO4)-
log_k -0.19 #66SPI/MIK in 76SMI/MAR
delta_h -22.8 kJ/mol #
# Enthalpy of formation: -1814.6 kJ/mol 82WAG/EVA
BaS(s)
BaS = +1.000Ba+2 -1.000H+ +1.000HS-
log_k 15.66 #
delta_h -90.248 kJ/mol #
# Enthalpy of formation: -460.852 kJ/mol
U2O7Ba(cr)
U2O7Ba = +1.000Ba+2 +2.000UO2+2 -6.000H+ +3.000H2O
log_k 21.39 #
delta_h -193.09 kJ/mol #
# Enthalpy of formation: -3237.2 kJ/mol 92GRE/FUG
U2O7Ba2(cr)
U2O7Ba2 = +2.000Ba+2 +2.000UO2+ -6.000H+ +3.000H2O
log_k 35.35 #
delta_h -237.344 kJ/mol #
# Enthalpy of formation: -3740 kJ/mol 92GRE/FUG
UO6Ba3(cr)
UO6Ba3 = +3.000Ba+2 +1.000UO2+2 -8.000H+ +4.000H2O
log_k 92.7 #
delta_h -556.32 kJ/mol #
# Enthalpy of formation: -3210.4 kJ/mol 92GRE/FUG
Ca3B2O6(s)
Ca3B2O6 = +3.000Ca+2 -4.000H+ +2.000B(OH)4- -2.000H2O
log_k 40.58 #
delta_h -318.306 kJ/mol #
# Enthalpy of formation: -3429.266 kJ/mol
Dolomite
CaMg(CO3)2 = +1.000Ca+2 +1.000Mg+2 +2.000CO3-2
log_k -17.12 #
delta_h -35.96 kJ/mol #
# Enthalpy of formation: -2324.5 kJ/mol 95ROB/HEM
Cd(cr)
Cd = +1.000Cd+2 +2.000e-
log_k 13.62 #
delta_h -75.92 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 89COX/WAG
Cd(SeCn)2(cr)
Cd(SeCn)2 = +1.000Cd+2 -2.000H+ -4.000e- +2.000Cn- +2.000HSe-
log_k -31.75 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
CaO(cr)
CaO = +1.000Ca+2 -2.000H+ +1.000H2O
log_k 32.7 #
delta_h -193.91 kJ/mol #
# Enthalpy of formation: -634.92 kJ/mol 89COX/WAG
Cd5(PO4)3Cl(cr)
Cd5(PO4)3Cl = +5.000Cd+2 -6.000H+ +1.000Cl- +3.000H2(PO4)-
log_k 12.67 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Cd5(PO4)3OH(cr)
Cd5(PO4)3OH = +5.000Cd+2 -7.000H+ +3.000H2(PO4)- +1.000H2O
log_k 19.84 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Cadmoselite
CdSe = +1.000Cd+2 -1.000H+ +1.000HSe-
log_k -18.68 #
delta_h 81.48 kJ/mol #
# Enthalpy of formation: -143.1 kJ/mol 05OLI/NOL
CdCl2:2.5H2O(s)
CdCl2:2.5H2O = +1.000Cd+2 +2.000Cl- +2.500H2O
log_k -1.9 #
delta_h 7.285 kJ/mol #
# Enthalpy of formation: -1131.94 kJ/mol 82WAG/EVA
CdCl2:H2O(cr)
CdCl2:H2O = +1.000Cd+2 +2.000Cl- +1.000H2O
log_k -1.69 #
delta_h -7.47 kJ/mol #
# Enthalpy of formation: -688.44 kJ/mol 82WAG/EVA
CdSiO3(cr)
CdSiO3 = +1.000Cd+2 -2.000H+ +1.000H4(SiO4) -1.000H2O
log_k 7.79 #
delta_h -62.194 kJ/mol #
# Enthalpy of formation: -1189.09 kJ/mol 77BAR/KNA
CdCl2(s)
CdCl2 = +1.000Cd+2 +2.000Cl-
log_k -0.66 #
delta_h -18.58 kJ/mol #
# Enthalpy of formation: -391.5 kJ/mol 74NAU/RYZ
Stilleite
ZnSe = +1.000Zn+2 -1.000H+ +1.000HSe-
log_k -12.05 #
delta_h 36.91 kJ/mol #
# Enthalpy of formation: -176 kJ/mol 05OLI/NOL
NiCl2:2H2O(s)
NiCl2:2H2O = +1.000Ni+2 +2.000Cl- +2.000H2O
log_k 4.92 #
delta_h -47.461 kJ/mol #
# Enthalpy of formation: -913.371 kJ/mol
Bunsenite
NiO = +1.000Ni+2 -2.000H+ +1.000H2O
log_k 12.48 #
delta_h -101.142 kJ/mol #
# Enthalpy of formation: -239.7 kJ/mol 05GAM/BUG
Ni2(Pyrophos)(cr)
Ni2(Pyrophos) = +2.000Ni+2 +1.000Pyrophos-4
log_k -9.82 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Millerite
NiS = +1.000Ni+2 -1.000H+ +1.000HS-
log_k -10.13 #
delta_h 22.688 kJ/mol #
# Enthalpy of formation: -94 kJ/mol 05GAM/BUG
Ni(CO3):5.5H2O(cr)
Ni(CO3):5.5H2O = +1.000Ni+2 +1.000CO3-2 +5.500H2O
log_k -7.52 #
delta_h 10.685 kJ/mol #
# Enthalpy of formation: -2312.992 kJ/mol 05GAM/BUG
Ni3(AsO3)2(s)
Ni3(AsO3)2 = +3.000Ni+2 +4.000H+ +4.000e- +2.000AsO4-3 -2.000H2O
log_k -51.48 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ni3(AsO4)2:8H2O(s)
Ni3(AsO4)2:8H2O = +3.000Ni+2 +2.000AsO4-3 +8.000H2O
log_k -28.1 #05GAM/BUG
delta_h -48.956 kJ/mol #
# Enthalpy of formation: -4179 kJ/mol 05GAM/BUG
Ni(IO3)2(beta)
Ni(IO3)2 = +1.000Ni+2 +2.000IO3-
log_k -4.43 #
delta_h -7.3 kJ/mol #05GAM/BUG
# Enthalpy of formation: -487.112 kJ/mol
Ni(IO3)2:2H2O(cr)
Ni(IO3)2:2H2O = +1.000Ni+2 +2.000IO3- +2.000H2O
log_k -5.14 #
delta_h 21.6 kJ/mol #05GAM/BUG
# Enthalpy of formation: -1087.672 kJ/mol
NiSe2(cr)
NiSe2 = +1.000Ni+2 -2.000H+ -2.000e- +2.000HSe-
log_k -26.9 #
delta_h 89.088 kJ/mol #
# Enthalpy of formation: -115.5 kJ/mol 05OLI/NOL
Ni0.88Se(cr)
Ni0.88Se = +0.880Ni+2 -1.000H+ -0.240e- +1.000HSe-
log_k -12.76 #
delta_h 35.689 kJ/mol #
# Enthalpy of formation: -69.8 kJ/mol 05OLI/NOL
Minium
Pb3O4 = +3.000Pb+2 -8.000H+ -2.000e- +4.000H2O
log_k 73.53 #
delta_h -421.874 kJ/mol #
# Enthalpy of formation: -718.686 kJ/mol
CoF2(s)
CoF2 = +1.000Co+2 +2.000F-
log_k -1.39 #
delta_h -56.77 kJ/mol #
# Enthalpy of formation: -671.53 kJ/mol 98CHA
CoCl2(s)
CoCl2 = +1.000Co+2 +2.000Cl-
log_k 8.47 #
delta_h -79.22 kJ/mol #
# Enthalpy of formation: -312.54 kJ/mol 98CHA
CoCl2:6H2O(s)
CoCl2:6H2O = +1.000Co+2 +2.000Cl- +6.000H2O
log_k 2.54 #97MAR/SMI
delta_h 8.06 kJ/mol #97MAR/SMI
# Enthalpy of formation: -2114.8 kJ/mol
Co(FeO2)2(alpha)
Co(FeO2)2 = +2.000Fe+3 +1.000Co+2 -8.000H+ +4.000H2O
log_k 0.77 #
delta_h -159.2 kJ/mol #
# Enthalpy of formation: -1139.72 kJ/mol 74NAU/RYZ
Ag3(PO4)(s)
Ag3(PO4) = +3.000Ag+ -2.000H+ +1.000H2(PO4)-
log_k 2.01 #03BÖT in 76SMI/MAR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ag2(SO4)(s)
Ag2(SO4) = +2.000Ag+ +1.000SO4-2
log_k -5.01 #
delta_h 18.162 kJ/mol #
# Enthalpy of formation: -715.922 kJ/mol
Ag(s)
Ag = +1.000Ag+ +1.000e-
log_k -13.51 #
delta_h 105.79 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 95SIL/BID
Ag2Se(alfa)
Ag2Se = +2.000Ag+ -1.000H+ +1.000HSe-
log_k -42.85 #
delta_h 266.009 kJ/mol #
# Enthalpy of formation: -40.129 kJ/mol
Corundum
Al2O3 = +2.000Al+3 -6.000H+ +3.000H2O
log_k 18.3 #
delta_h -258.59 kJ/mol #
# Enthalpy of formation: -1675.7 kJ/mol 89COX/WAG
Boehmite
AlO(OH) = +1.000Al+3 -3.000H+ +2.000H2O
log_k 7.62 #
delta_h -113.66 kJ/mol #
# Enthalpy of formation: -996.4 kJ/mol 95ROB/HEM
Diaspore
AlO(OH) = +1.000Al+3 -3.000H+ +2.000H2O
log_k 6.86 #
delta_h -108.76 kJ/mol #
# Enthalpy of formation: -1001.3 kJ/mol 95ROB/HEM
Dickite
Al2Si2O5(OH)4 = +2.000Al+3 -6.000H+ +2.000H4(SiO4) +1.000H2O
log_k 9.39 #
delta_h -185.218 kJ/mol #
# Enthalpy of formation: -4099.8 kJ/mol 03FIA/MAJ
Halloysite
Al2Si2O5(OH)4 = +2.000Al+3 -6.000H+ +2.000H4(SiO4) +1.000H2O
log_k 10.32 #
delta_h -192.418 kJ/mol #
# Enthalpy of formation: -4092.6 kJ/mol 99DEL/NAV
Pyrophillite
Al2Si4O10(OH)2 = +2.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O
log_k -0.44 #
delta_h -138.257 kJ/mol #
# Enthalpy of formation: -5640 kJ/mol 95ROB/HEM
UO2(CO3)3Mg2:18H2O(s)
UO2(CO3)3Mg2:18H2O = +2.000Mg+2 +1.000UO2+2 +3.000CO3-2 +18.000H2O
log_k -29.01 #
delta_h 40.57 kJ/mol #
# Enthalpy of formation: -9164.2 kJ/mol 99FAN/ROD
Microcline
KAlSi3O8 = +1.000K+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -4.000H2O
log_k 0.05 #
delta_h -56.463 kJ/mol #
# Enthalpy of formation: -3974.34 kJ/mol 00ARN/STE
Al(s)
Al = +1.000Al+3 +3.000e-
log_k 85.43 #
delta_h -538.4 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 95POK/HEL
Cs2O(s)
Cs2O = +2.000Cs+ -2.000H+ +1.000H2O
log_k 89.68 #
delta_h -456.1 kJ/mol #
# Enthalpy of formation: -345.73 kJ/mol
Cs(s)
Cs = +1.000Cs+ +1.000e-
log_k 51.06 #
delta_h -258 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 92GRE/FUG
Periclase
MgO = +1.000Mg+2 -2.000H+ +1.000H2O
log_k 21.58 #
delta_h -151.23 kJ/mol #
# Enthalpy of formation: -601.6 kJ/mol 89COX/WAG
CsBr(cr)
CsBr = +1.000Cs+ +1.000Br-
log_k 0.72 #
delta_h 26.19 kJ/mol #
# Enthalpy of formation: -405.6 kJ/mol 01LEM/FUG
NpO2(NH4)4(CO3)3(s)
NpO2(NH4)4(CO3)3 = +1.000NpO2+2 +4.000H+ +3.000CO3-2 +4.000NH3
log_k -26.81 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
K4NpO2(CO3)3(s)
K4NpO2(CO3)3 = +4.000K+ +1.000NpO2+2 +3.000CO3-2
log_k -26.4 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
TcO2:1.63H2O(s)
TcO2:1.63H2O = +1.000TcO(OH)2 +0.630H2O
log_k -8.4 #99RAR/RAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
TcCO3(OH)2(s)
TcCO3(OH)2 = +1.000TcO(OH)2 +2.000H+ +1.000CO3-2 -1.000H2O
log_k -19.26 #99RAR/RAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Tc(cr)
Tc = +1.000TcO(OH)2 +4.000H+ +4.000e- -3.000H2O
log_k -25.08 #
delta_h 108.17 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 99RAR/RAN
Eu(cr)
Eu = +1.000Eu+3 +3.000e-
log_k 100.64 #
delta_h -605.331 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 82WAG/EVA
Eu(OH)3(am)
Eu(OH)3 = +1.000Eu+3 -3.000H+ +3.000H2O
log_k 17.6 #98DIA/RAG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
EuO(s)
EuO = +1.000Eu+3 -2.000H+ +1.000e- +1.000H2O
log_k 44.77 #
delta_h -299.121 kJ/mol #
# Enthalpy of formation: -592.04 kJ/mol
Eu2O3(cubic)
Eu2O3 = +2.000Eu+3 -6.000H+ +3.000H2O
log_k 52.4 #95SPA/BRU
delta_h -405.453 kJ/mol #
# Enthalpy of formation: -1662.7 kJ/mol 82WAG/EVA
Eu3O4(s)
Eu3O4 = +3.000Eu+3 -8.000H+ +1.000e- +4.000H2O
log_k 93.02 #
delta_h -689.314 kJ/mol #
# Enthalpy of formation: -2270 kJ/mol
Eu(OH)3(cr)
Eu(OH)3 = +1.000Eu+3 -3.000H+ +3.000H2O
log_k 15.46 #98DIA/RAG
delta_h -127.542 kJ/mol #
# Enthalpy of formation: -1335.279 kJ/mol
EuCl3(s)
EuCl3 = +1.000Eu+3 +3.000Cl-
log_k 19.72 #96FAL/REA
delta_h -170.571 kJ/mol #
# Enthalpy of formation: -936 kJ/mol 82WAG/EVA
EuCl3:6H2O(s)
EuCl3:6H2O = +1.000Eu+3 +3.000Cl- +6.000H2O
log_k 5.2 #95SPA/BRU
delta_h -41.414 kJ/mol #
# Enthalpy of formation: -2780.137 kJ/mol
EuOCl(s)
EuOCl = +1.000Eu+3 -2.000H+ +1.000Cl- +1.000H2O
log_k 15.81 #95SPA/BRU
delta_h -154.741 kJ/mol #
# Enthalpy of formation: -903.5 kJ/mol
EuCl(OH)2(s)
EuCl(OH)2 = +1.000Eu+3 -2.000H+ +1.000Cl- +2.000H2O
log_k 9.13 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
EuF3(s)
EuF3 = +1.000Eu+3 +3.000F-
log_k -18.5 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
EuBr3(s)
EuBr3 = +1.000Eu+3 +3.000Br-
log_k 30.19 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
EuF3:0.5H2O(s)
EuF3:0.5H2O = +1.000Eu+3 +3.000F- +0.500H2O
log_k -17.2 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
EuCl2(s)
EuCl2 = +1.000Eu+3 +1.000e- +2.000Cl-
log_k 11.22 #95SPA/BRU
delta_h -115.491 kJ/mol #
# Enthalpy of formation: -824 kJ/mol 82WAG/EVA
EuSO4(s)
EuSO4 = +1.000Eu+3 +1.000e- +1.000SO4-2
log_k -2.52 #95SPA/BRU
delta_h -92.864 kJ/mol #
# Enthalpy of formation: -1421.807 kJ/mol
Eu(NO3)3:6H2O(s)
Eu(NO3)3:6H2O = +1.000Eu+3 +3.000NO3- +6.000H2O
log_k 1.84 #95SPA/BRU
delta_h 16.839 kJ/mol #
# Enthalpy of formation: -2957.7 kJ/mol 82WAG/EVA
Eu(PO4):xH2O(s)
Eu(PO4) = +1.000Eu+3 -2.000H+ +1.000H2(PO4)-
log_k -4.84 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Eu(CO3)(OH):0.5H2O(s)
Eu(CO3)(OH):0.5H2O = +1.000Eu+3 -1.000H+ +1.000CO3-2 +1.500H2O
log_k -7.8 #95SPA/BRU
delta_h -55.906 kJ/mol #
# Enthalpy of formation: -1653.4 kJ/mol 05ROR/FUG
Eu(CO3)(OH)(cr)
Eu(CO3)(OH) = +1.000Eu+3 -1.000H+ +1.000CO3-2 +1.000H2O
log_k -9.63 #
delta_h -43.391 kJ/mol #
# Enthalpy of formation: -1523 kJ/mol 05ROR/FUG
EuPO4:H2O(cr)
EuPO4:H2O = +1.000Eu+3 -2.000H+ +1.000H2(PO4)- +1.000H2O
log_k -6.44 #97LIU/BYR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Eu2(SO4)3:8H2O(s)
Eu2(SO4)3:8H2O = +2.000Eu+3 +3.000SO4-2 +8.000H2O
log_k -10.2 #95SPA/BRU
delta_h -90.974 kJ/mol #
# Enthalpy of formation: -6134.348 kJ/mol
Eu2O3(monoclinic)
Eu2O3 = +2.000Eu+3 -6.000H+ +3.000H2O
log_k 53.47 #
delta_h -418.514 kJ/mol #
# Enthalpy of formation: -1649.638 kJ/mol
Mg(SeO3):6H2O(s)
Mg(SeO3):6H2O = +1.000Mg+2 +1.000SeO3-2 +6.000H2O
log_k -5.82 #05OLI/NOL
delta_h 18.07 kJ/mol #
# Enthalpy of formation: -2707.21 kJ/mol 05OLI/NOL
Magnesite(syn)
Mg(CO3) = +1.000Mg+2 +1.000CO3-2
log_k -8.1 #
delta_h -28.93 kJ/mol #
# Enthalpy of formation: -1113.3 kJ/mol 95ROB/HEM
Nesquehonite
Mg(CO3):3H2O = +1.000Mg+2 +1.000CO3-2 +3.000H2O
log_k -5.1 #
delta_h -22.42 kJ/mol #
# Enthalpy of formation: -1977.3 kJ/mol 73ROB/HEM
Lansfordite
Mg(CO3):5H2O = +1.000Mg+2 +1.000CO3-2 +5.000H2O
log_k -5.04 #
delta_h 2.89 kJ/mol #
# Enthalpy of formation: -2574.27 kJ/mol 99KON/KON
Mg5(CO3)4(OH)2:4H2O(s)
Mg5(CO3)4(OH)2:4H2O = +5.000Mg+2 -2.000H+ +4.000CO3-2 +6.000H2O
log_k -10.31 #
delta_h -234.9 kJ/mol #
# Enthalpy of formation: -6516 kJ/mol 73ROB/HEM
Artinite
Mg2(CO3)(OH)2:3H2O = +2.000Mg+2 -2.000H+ +1.000CO3-2 +5.000H2O
log_k 9.81 #
delta_h -117.78 kJ/mol #
# Enthalpy of formation: -2920.6 kJ/mol 73HEM/ROB
CsCl(cr)
CsCl = +1.000Cs+ +1.000Cl-
log_k 1.55 #
delta_h 17.23 kJ/mol #
# Enthalpy of formation: -442.31 kJ/mol 01LEM/FUG
Sn(cr)
Sn = +1.000Sn+2 +2.000e-
log_k 4.84 #
delta_h -8.9 kJ/mol #
# Enthalpy of formation: 0 kJ/mol
Sn(OH)Cl(s)
Sn(OH)Cl = +1.000Sn+2 -1.000H+ +1.000Cl- +1.000H2O
log_k -2.42 #30RAN/MUR recalculated in 99LOT/OCH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
SnSe2(s)
SnSe2 = +1.000Sn+2 -2.000H+ -2.000e- +2.000HSe-
log_k -30.75 #
delta_h 134.6 kJ/mol #
# Enthalpy of formation: -114.9 kJ/mol 05OLI/NOL
Cassiterite
SnO2 = +1.000Sn+4 -4.000H+ +2.000H2O
log_k -7.51 #
delta_h 36.47 kJ/mol #
# Enthalpy of formation: -577.63 kJ/mol 89COX/WAG
CaSn(OH)6(s)
CaSn(OH)6 = +1.000Ca+2 +1.000Sn+4 -6.000H+ +6.000H2O
log_k 8.49 #99LOT/OCH
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Sr(SeO4)(s)
Sr(SeO4) = +1.000Sr+2 +1.000SeO4-2
log_k -4.35 #Original source 59SEL/ZUB recalculated in 05OLI/NOL
delta_h -21.841 kJ/mol #
# Enthalpy of formation: -1132.559 kJ/mol
Th(cr)
Th = +1.000Th+4 +4.000e-
log_k 123.47 #
delta_h -768.7 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 09RAN/FUG
SrO(cr)
SrO = +1.000Sr+2 -2.000H+ +1.000H2O
log_k 41.98 #
delta_h -244.69 kJ/mol #
# Enthalpy of formation: -592.04 kJ/mol 98CHA
Sr(NO3)2:4H2O(s)
Sr(NO3)2:4H2O = +1.000Sr+2 +2.000NO3- +4.000H2O
log_k -0.87 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
SrS(s)
SrS = +1.000Sr+2 -1.000H+ +1.000HS-
log_k 14.68 #
delta_h -93.57 kJ/mol #
# Enthalpy of formation: -473.63 kJ/mol 82WAG/EVA
SrBr2:6H2O(s)
SrBr2:6H2O = +1.000Sr+2 +2.000Br- +6.000H2O
log_k 2.82 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
SrBr2:H2O(s)
SrBr2:H2O = +1.000Sr+2 +2.000Br- +1.000H2O
log_k 8.8 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
SrBr2(s)
SrBr2 = +1.000Sr+2 +2.000Br-
log_k 12.5 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
SrCl2:2H2O(s)
SrCl2:2H2O = +1.000Sr+2 +2.000Cl- +2.000H2O
log_k 3.47 #
delta_h -18.72 kJ/mol #
# Enthalpy of formation: -1438 kJ/mol 82WAG/EVA
ThO2(mcr)
ThO2 = +1.000Th+4 -4.000H+ +2.000H2O
log_k 3 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
UO2(Ox):3H2O(s)
UO2(Ox):3H2O = +1.000UO2+2 +1.000Ox-2 +3.000H2O
log_k -8.93 #05HUM/AND
delta_h -5.15 kJ/mol #
# Enthalpy of formation: -2702 kJ/mol 05HUM/AND
Uranophane
Ca(UO2)2(SiO3OH)2:5H2O = +1.000Ca+2 +2.000UO2+2 -6.000H+ +2.000H4(SiO4) +5.000H2O
log_k 9.42 #92NGU/SIL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Soddyite(synt1)
(UO2)2SiO4:2H2O = +2.000UO2+2 -4.000H+ +1.000H4(SiO4) +2.000H2O
log_k 3.9 #97PER/CAS
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Soddyite(synt2)
(UO2)2SiO4:2H2O = +2.000UO2+2 -4.000H+ +1.000H4(SiO4) +2.000H2O
log_k 6.43 #07GOR/MAZ
delta_h -25.454 kJ/mol #
# Enthalpy of formation: -4045.4 kJ/mol 07GOR/MAZ
(UO2)3(PO4)2(cr)
(UO2)3(PO4)2 = +3.000UO2+2 -4.000H+ +2.000H2(PO4)-
log_k 2.8 #
delta_h -170.9 kJ/mol #
# Enthalpy of formation: -5491.3 kJ/mol 92GRE/FUG
Bassetite
Fe(UO2)2(PO4)2 = +1.000Fe+2 +2.000UO2+2 -4.000H+ +2.000H2(PO4)-
log_k -1.07 #65MUT/HIR
delta_h -36.464 kJ/mol #
# Enthalpy of formation: -8996.928 kJ/mol
Becquerelite(syn)
Ca(UO2)6O4(OH)6:8H2O = +1.000Ca+2 +6.000UO2+2 -14.000H+ +18.000H2O
log_k 40.5 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Becquerelite(nat)
Ca(UO2)6O4(OH)6:8H2O = +1.000Ca+2 +6.000UO2+2 -14.000H+ +18.000H2O
log_k 29 #97CAS/BRU
delta_h -378.31 kJ/mol #
# Enthalpy of formation: -11423.63 kJ/mol 99FAN/ROD
UO4Ba(s)
UO4Ba = +1.000Ba+2 +1.000UO2+2 -4.000H+ +2.000H2O
log_k 17.64 #
delta_h -131.66 kJ/mol #
# Enthalpy of formation: -1993.8 kJ/mol 92GRE/FUG
CaU2O7:3H2O(cr)
CaU2O7:3H2O = +1.000Ca+2 +2.000UO2+2 -6.000H+ +6.000H2O
log_k 23.4 #05ALT/NEC
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
PuO2:2H2O(am)
PuO2:2H2O = +1.000Pu+4 -4.000H+ +4.000H2O
log_k -2.37 #03GUI/FAN
delta_h -58.548 kJ/mol #
# Enthalpy of formation: -1624.667 kJ/mol
Pu(OH)4(am)
Pu(OH)4 = +1.000Pu+4 -4.000H+ +4.000H2O
log_k -0.8 #89LEM/GAR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Pu(cr)
Pu = +1.000Pu+3 +3.000e-
log_k 101.43 #
delta_h -591.79 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 01LEM/FUG
U(cr)
U = +1.000U+4 +4.000e-
log_k 92.83 #
delta_h -591.2 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 92GRE/FUG
UO2:2H2O(am)
UO2:2H2O = +1.000U+4 -4.000H+ +4.000H2O
log_k 1.5 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
UO2.25(s)
UO2.25 = +1.000U+4 -4.500H+ -0.500e- +2.250H2O
log_k -1 #
delta_h -106.318 kJ/mol #
# Enthalpy of formation: -1128 kJ/mol 92GRE/FUG
UO2.34(beta)
UO2.34 = +1.000U+4 -4.680H+ -0.680e- +2.340H2O
log_k 0.63 #
delta_h -117.127 kJ/mol #
# Enthalpy of formation: -1141 kJ/mol 03GUI/FAN
UO2.67(s)
UO2.67 = +1.000U+4 -5.340H+ -1.340e- +2.670H2O
log_k 6.85 #
delta_h -161.823 kJ/mol #
# Enthalpy of formation: -1191.6 kJ/mol 92GRE/FUG
Coffinite(am)
U(SiO4) = +1.000U+4 -4.000H+ +1.000H4(SiO4)
log_k -1.5 #Estimation based on NEA Guidelines
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
PuO2(coll)
PuO2 = +1.000Pu+4 +2.000H2O -4.000H+
log_k 0.2 #07NEC/ALT
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
SeU(cr)
SeU = +1.000U+4 -1.000H+ +2.000e- +1.000HSe-
log_k 37.34 #
delta_h -304.9 kJ/mol #
# Enthalpy of formation: -272 kJ/mol 05OLI/NOL
UO3Na(s)
UO3Na = +1.000Na+ +1.000UO2+ -2.000H+ +1.000H2O
log_k 8.34 #
delta_h -56.397 kJ/mol #
# Enthalpy of formation: -1494.9 kJ/mol 92GRE/FUG
UO4Na3(cr)
UO4Na3 = +3.000Na+ +1.000UO2+ -4.000H+ +2.000H2O
log_k 56.28 #
delta_h -293.807 kJ/mol #
# Enthalpy of formation: -2024 kJ/mol 92GRE/FUG
Np(cr)
Np = +1.000Np+3 +3.000e-
log_k 89.85 #
delta_h -527.184 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 01LEM/FUG
NpO2OH(am,aged)
NpO2OH = +1.000NpO2+ -1.000H+ +1.000H2O
log_k 4.7 #01LEM/FUG
delta_h -41.111 kJ/mol #
# Enthalpy of formation: -1222.9 kJ/mol 01LEM/FUG
NpO2OH(am,fresh)
NpO2OH = +1.000NpO2+ -1.000H+ +1.000H2O
log_k 5.3 #01LEM/FUG
delta_h -41.111 kJ/mol #
# Enthalpy of formation: -1222.9 kJ/mol 01LEM/FUG
Np2O5(cr)
Np2O5 = +2.000NpO2+ -2.000H+ +1.000H2O
log_k 3.7 #
delta_h -79.492 kJ/mol #
# Enthalpy of formation: -2162.7 kJ/mol 01LEM/FUG
NpO3:H2O(cr)
NpO3:H2O = +1.000NpO2+2 -2.000H+ +2.000H2O
log_k 5.47 #01LEM/FUG
delta_h -52.24 kJ/mol #
# Enthalpy of formation: -1380.153 kJ/mol
Sm(cr)
Sm = +1.000Sm+3 +3.000e-
log_k 116.62 #
delta_h -691.199 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 79ROB/HEM
Sm2O3(s)
Sm2O3 = +2.000Sm+3 -6.000H+ +3.000H2O
log_k 43.11 #
delta_h -355.039 kJ/mol #
# Enthalpy of formation: -1884.849 kJ/mol
SmCl3:6H2O(s)
SmCl3:6H2O = +1.000Sm+3 +3.000Cl- +6.000H2O
log_k 4.8 #96FAL/REA
delta_h -38.311 kJ/mol #
# Enthalpy of formation: -2869.108 kJ/mol
SmF3:0.5H2O(s)
SmF3:0.5H2O = +1.000Sm+3 +3.000F- +0.500H2O
log_k -17.5 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
SmOHCO3:0.5H2O(cr)
SmOHCO3:0.5H2O = +1.000Sm+3 -1.000H+ +1.000CO3-2 +1.500H2O
log_k -7.31 #
delta_h -51.074 kJ/mol #
# Enthalpy of formation: -1744.1 kJ/mol 05ROR/FUG
SmOHCO3(cr)
SmOHCO3 = +1.000Sm+3 -1.000H+ +1.000CO3-2 +1.000H2O
log_k -10.23 #
delta_h -38.859 kJ/mol #
# Enthalpy of formation: -1613.4 kJ/mol 05ROR/FUG
Sm2(SO4)3(s)
Sm2(SO4)3 = +2.000Sm+3 +3.000SO4-2
log_k -9.8 #95SPA/BRU
delta_h -211.318 kJ/mol #
# Enthalpy of formation: -3899.1 kJ/mol 82WAG/EVA
P(cr)
P = +6.000H+ +5.000e- +1.000H2(PO4)- -4.000H2O
log_k 33.04 #
delta_h -159.28 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 89COX/WAG
Cd(SO4):2.67H2O(cr)
Cd(SO4):2.67H2O = +1.000Cd+2 +1.000SO4-2 +2.670H2O
log_k -1.55 #
delta_h -20.126 kJ/mol #
# Enthalpy of formation: -1728.3 kJ/mol 89COX/WAG
SmPO4:H2O(cr)
SmPO4:H2O = +1.000Sm+3 -2.000H+ +1.000H2(PO4)- +1.000H2O
log_k -6.67 #97LIU/BYR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
SmPO4:H2O(am)
SmPO4:H2O = +1.000Sm+3 -2.000H+ +1.000H2(PO4)- +1.000H2O
log_k -5 #05CET/WOO
delta_h -26.48 kJ/mol #
# Enthalpy of formation: -2253.149 kJ/mol 05CET/WOO
Sm(OH)3(am)
Sm(OH)3 = +1.000Sm+3 -3.000H+ +3.000H2O
log_k 17.85 #98DIA/RAG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
UO2(CO3)3Na4(cr)
UO2(CO3)3Na4 = +4.000Na+ +1.000UO2+2 +3.000CO3-2
log_k -27.18 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Na(TcO4):4H2O(s)
Na(TcO4):4H2O = +1.000Na+ +1.000TcO4- +4.000H2O
log_k 0.79 #99RAR/RAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
PdS(s)
PdS = -1.000H+ +1.000Pd+2 +1.000HS-
log_k -46.86 #
delta_h 244.293 kJ/mol #
# Enthalpy of formation: -70.71 kJ/mol 74MIL
Pd(cr)
Pd = +1.000Pd+2 +2.000e-
log_k -33.03 #43TEM/WAT
delta_h 189.883 kJ/mol #
# Enthalpy of formation: 0 kJ/mol
Am(cr)
Am = +1.000Am+3 +3.000e-
log_k 104.89 #
delta_h -616.7 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 95SIL/BID
Am(CO3)(OH)(am)
Am(CO3)(OH) = -1.000H+ +1.000Am+3 +1.000CO3-2 +1.000H2O
log_k -6.2 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Am(CO3)(OH)(cr)
Am(CO3)(OH) = -1.000H+ +1.000Am+3 +1.000CO3-2 +1.000H2O
log_k -11.51 #
delta_h -25.26 kJ/mol #
# Enthalpy of formation: -1552.5 kJ/mol 05ROR/FUG
Ra(cr)
Ra = +1.000Ra+2 +2.000e-
log_k 98.44 #
delta_h -528.025 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 82WAG/EVA
Ra(NO3)2(s)
Ra(NO3)2 = +1.000Ra+2 +2.000NO3-
log_k -2.21 #
delta_h 49.98 kJ/mol #
# Enthalpy of formation: -991.706 kJ/mol
Ra(SO4)(s)
Ra(SO4) = +1.000Ra+2 +1.000SO4-2
log_k -10.26 #99SCH, 85LAN/RIE
delta_h 38.91 kJ/mol #
# Enthalpy of formation: -1476.275 kJ/mol
RaCl2:2H2O(s)
RaCl2:2H2O = +1.000Ra+2 +2.000Cl- +2.000H2O
log_k -0.73 #
delta_h 32.22 kJ/mol #
# Enthalpy of formation: -1466.065 kJ/mol
Ho(cr)
Ho = +1.000Ho+3 +3.000e-
log_k 118.31 #
delta_h -707.042 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 82WAG/EVA
HoCl3:6H2O(s)
HoCl3:6H2O = +1.000Ho+3 +3.000Cl- +6.000H2O
log_k 5.39 #95SPA/BRU
delta_h -43.855 kJ/mol #
# Enthalpy of formation: -2879.407 kJ/mol
HoF3:0.5H2O(s)
HoF3:0.5H2O = +1.000Ho+3 +3.000F- +0.500H2O
log_k -16.4 #95SPA/BRU
delta_h -149.007 kJ/mol #
# Enthalpy of formation: -1707 kJ/mol 82WAG/EVA
Ho(OH)3(s)
Ho(OH)3 = -3.000H+ +1.000Ho+3 +3.000H2O
log_k 15.43 #98DIA/RAG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ho(PO4):xH2O(s)
Ho(PO4) = -2.000H+ +1.000Ho+3 +1.000H2(PO4)-
log_k -4.64 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ho2O3(s)
Ho2O3 = -6.000H+ +2.000Ho+3 +3.000H2O
log_k 47.41 #
delta_h -390.718 kJ/mol #
# Enthalpy of formation: -1880.856 kJ/mol
Ho(OH)3(am)
Ho(OH)3 = -3.000H+ +1.000Ho+3 +3.000H2O
log_k 17.48 #98DIA/RAG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
HoPO4:H2O(cr)
HoPO4:H2O = -2.000H+ +1.000Ho+3 +1.000H2(PO4)- +1.000H2O
log_k -5.56 #97LIU/BYR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
AmO2OH(am)
AmO2OH = -1.000H+ +1.000AmO2+ +1.000H2O
log_k 5.3 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ferrosilite
FeSiO3 = +1.000Fe+2 -2.000H+ +1.000H4(SiO4) -1.000H2O
log_k 32.71 #95TRO: CEA, N.T.SESD n° 95/49, L. TROTIGNON avril 1996; Critique et sélection de données thermodynamiques en vue de modéliser les équilibres minéral - solution, rapport annuel 1995
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Pyrrhotite
Fe0.87S = +0.870Fe+2 -1.000H+ +1.000HS- -0.260e-
log_k -5.59 #
delta_h 2.45 kJ/mol #
# Enthalpy of formation: -97.5 kJ/mol 95ROB/HEM
Nb2O5(s)
Nb2O5 = +2.000H+ +2.000Nb(OH)6- -7.000H2O
log_k -28.38 #97PEI/NGU
delta_h 52.4 kJ/mol #97PEI/NGU
# Enthalpy of formation: -1902.92 kJ/mol
Nb(cr)
Nb = +6.000H+ +1.000Nb(OH)6- +5.000e- -6.000H2O
log_k 41.82 #
delta_h -210.685 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 82WAG/EVA
NaNbO3(s)
NaNbO3 = +1.000Na+ +1.000Nb(OH)6- -3.000H2O
log_k -3.66 #
delta_h 7.504 kJ/mol #
# Enthalpy of formation: -1316.013 kJ/mol
Rhodochrosite
Mn(CO3) = +1.000Mn+2 +1.000CO3-2
log_k -11.13 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
delta_h -5.899 kJ/mol #
# Enthalpy of formation: -890.081 kJ/mol
PbI2(cr)
PbI2 = +1.000Pb+2 +2.000I-
log_k -8.05 #
delta_h 62.801 kJ/mol #
# Enthalpy of formation: -175.441 kJ/mol
Ba(SeO4)(cr)
Ba(SeO4) = +1.000Ba+2 +1.000SeO4-2
log_k -7.56 #05OLI/NOL
delta_h 5.7 kJ/mol #
# Enthalpy of formation: -1144 kJ/mol 05OLI/NOL
Ho2(CO3)3(cr)
Ho2(CO3)3 = +2.000Ho+3 +3.000CO3-2
log_k -33.8 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
BaCl2(cr)
BaCl2 = +1.000Ba+2 +2.000Cl-
log_k 2.3 #
delta_h -13.76 kJ/mol #
# Enthalpy of formation: -855.2 kJ/mol 95SIL/BID
BaO(cr)
BaO = +1.000Ba+2 -2.000H+ +1.000H2O
log_k 48.07 #
delta_h -272.53 kJ/mol #
# Enthalpy of formation: -548.1 kJ/mol 95SIL/BID
C(cr)
C = +6.000H+ +4.000e- +1.000CO3-2 -3.000H2O
log_k -32.15 #
delta_h 182.26 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 89COX/WAG
S(cr)
S = +8.000H+ +6.000e- +1.000SO4-2 -4.000H2O
log_k -35.84 #
delta_h 233.98 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 89COX/WAG
Si(cr)
Si = +4.000H+ +4.000e- +1.000H4(SiO4) -4.000H2O
log_k 63.19 #
delta_h -317.874 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 89COX/WAG
Cristobalite
SiO2 = +1.000H4(SiO4) -2.000H2O
log_k -3.16 #
delta_h 16.5 kJ/mol #
# Enthalpy of formation: -906.034 kJ/mol 04FAB/SAX
H3Cit:H2O(cr)
H3Cit:H2O = +3.000H+ +1.000Cit-3 +1.000H2O
log_k -12.94 #05HUM/AND
delta_h 32.71 kJ/mol #
# Enthalpy of formation: -1838.46 kJ/mol
ZrBr4(cr)
ZrBr4 = +4.000Br- +1.000Zr+4
log_k 38.52 #
delta_h -334.64 kJ/mol #
# Enthalpy of formation: -759.5 kJ/mol 05BRO/CUR
ZrI4(cr)
ZrI4 = +4.000I- +1.000Zr+4
log_k 44.59 #
delta_h -346.72 kJ/mol #
# Enthalpy of formation: -488.9 kJ/mol 05BRO/CUR
AmCl6Cs2Na(cr)
AmCl6Cs2Na = +1.000Na+ +2.000Cs+ +1.000Am+3 +6.000Cl-
log_k 12.56 #
delta_h -59.72 kJ/mol #
# Enthalpy of formation: -2315.8 kJ/mol 03GUI/FAN
HfO2(am)
HfO2 = -4.000H+ +1.000Hf+4 +2.000H2O
log_k 0.9 #01RAI/XIA
#delta_h kJ/mol #
# Enthalpy of formation: -1101.7 kJ/mol 98KAR/CHE
HfO2(cr)
HfO2 = -4.000H+ +1.000Hf+4 +2.000H2O
log_k -5.6 #
#delta_h kJ/mol #
# Enthalpy of formation: -1117.63 kJ/mol 75KOR/USH
Hf(HPO4)2:H2O(s)
Hf(HPO4)2:H2O = -2.000H+ +2.000H2(PO4)- +1.000Hf+4 +1.000H2O
log_k -21.05 #25HEV/KIM recalculated
#delta_h kJ/mol #
# Enthalpy of formation: -3481.6 kJ/mol 97KAR/CHE
Sb(cr)
Sb = +3.000H+ +3.000e- +1.000Sb(OH)3 -3.000H2O
log_k -11.67 #
delta_h 83.6 kJ/mol #
# Enthalpy of formation: 0 kJ/mol
Valentinite
Sb2O3 = +2.000Sb(OH)3 -3.000H2O
log_k -8.48 #52GAY/GAY in 76BAE/MES
delta_h 18.5 kJ/mol #
# Enthalpy of formation: -708.77 kJ/mol 62MAH in 03ZOT/SHI
Stibnite
Sb2S3 = +3.000H+ +3.000HS- +2.000Sb(OH)3 -6.000H2O
log_k -56.03 #
delta_h 269.695 kJ/mol #
# Enthalpy of formation: -151.4 kJ/mol 95ROB/HEM
H4Edta(cr)
H4Edta = +4.000H+ +1.000Edta-4
log_k -27.22 #05HUM/AND
delta_h 55 kJ/mol #
# Enthalpy of formation: -1759.8 kJ/mol
Ni(SO4):6H2O(s)
Ni(SO4):6H2O = +1.000Ni+2 +1.000SO4-2 +6.000H2O
log_k -2.25 #05GAM/BUG
delta_h 4.485 kJ/mol #05GAM/BUG
# Enthalpy of formation: -2683.817 kJ/mol
Ni(SO4)(cr)
Ni(SO4) = +1.000Ni+2 +1.000SO4-2
log_k 4.75 #05GAM/BUG
delta_h -91.072 kJ/mol #
# Enthalpy of formation: -873.28 kJ/mol 05GAM/BUG
Ni(s)
Ni = +1.000Ni+2 +2.000e-
log_k 8.02 #
delta_h -55.012 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 05GAM/BUG
NiI2(s)
NiI2 = +1.000Ni+2 +2.000I-
log_k 9.61 #
delta_h -72.152 kJ/mol #
# Enthalpy of formation: -96.42 kJ/mol 05GAM/BUG
NiBr2(s)
NiBr2 = +1.000Ni+2 +2.000Br-
log_k 10.17 #
delta_h -84.332 kJ/mol #
# Enthalpy of formation: -213.5 kJ/mol 05GAM/BUG
Ni(BO2)2(s)
Ni(BO2)2 = +1.000Ni+2 +2.000B(OH)4- -4.000H2O
log_k -8.7 #92PEA/BER
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
B2O3(am)
B2O3 = +2.000H+ +2.000B(OH)4- -5.000H2O
log_k -10.63 #
delta_h -6.711 kJ/mol #
# Enthalpy of formation: -1254.371 kJ/mol
B(cr)
B = +4.000H+ +3.000e- +1.000B(OH)4- -4.000H2O
log_k 35.93 #
delta_h -201.796 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 92GRE/FUG
CaB4O7(s)
CaB4O7 = +1.000Ca+2 +2.000H+ +4.000B(OH)4- -9.000H2O
log_k -23.44 #
delta_h 9.373 kJ/mol #
# Enthalpy of formation: -3360.367 kJ/mol
B2O3(cr)
B2O3 = +2.000H+ +2.000B(OH)4- -5.000H2O
log_k -12.74 #
delta_h 12.418 kJ/mol #
# Enthalpy of formation: -1273.5 kJ/mol 01LEM/FUG
CaB2O4(s)
CaB2O4 = +1.000Ca+2 +2.000B(OH)4- -4.000H2O
log_k -2.18 #
delta_h -58.908 kJ/mol #
# Enthalpy of formation: -2031.004 kJ/mol
ZnB2O4(s)
ZnB2O4 = +1.000Zn+2 +2.000B(OH)4- -4.000H2O
log_k -10.19 #91BAL/NOR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
CdB2O4(s)
CdB2O4 = +1.000Cd+2 +2.000B(OH)4- -4.000H2O
log_k -8.64 #91BAL/NOR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
PbB2O4(s)
PbB2O4 = +1.000Pb+2 +2.000B(OH)4- -4.000H2O
log_k -10.87 #91BAL/NOR
delta_h 2.761 kJ/mol #91BAL/NOR
# Enthalpy of formation: -1548.753 kJ/mol
Na2B4O7(cr)
Na2B4O7 = +2.000Na+ +2.000H+ +4.000B(OH)4- -9.000H2O
log_k -16.06 #
delta_h 2.534 kJ/mol #
# Enthalpy of formation: -3291.208 kJ/mol
Na2B4O7:10H2O(s)
Na2B4O7:10H2O = +2.000Na+ +2.000H+ +4.000B(OH)4- +1.000H2O
log_k -24.58 #
delta_h 141.721 kJ/mol #
# Enthalpy of formation: -6288.445 kJ/mol
Pb(SeO4)(s)
Pb(SeO4) = +1.000Pb+2 +1.000SeO4-2
log_k -6.9 #05OLI/NOL
delta_h 4.72 kJ/mol #05OLI/NOL
# Enthalpy of formation: -607.3 kJ/mol
Mo(s)
Mo = +8.000H+ +6.000e- +1.000MoO4-2 -4.000H2O
log_k -19.58 #
delta_h 146.32 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 82WAG/EVA
MoO2(s)
MoO2 = +4.000H+ +2.000e- +1.000MoO4-2 -2.000H2O
log_k -29.88 #
delta_h 162.517 kJ/mol #
# Enthalpy of formation: -587.857 kJ/mol
MoO3(s)
MoO3 = +2.000H+ +1.000MoO4-2 -1.000H2O
log_k -11.98 #
delta_h 34.001 kJ/mol #
# Enthalpy of formation: -745.171 kJ/mol
H2MoO4(s)
H2MoO4 = +2.000H+ +1.000MoO4-2
log_k -13.17 #
delta_h 48.763 kJ/mol #
# Enthalpy of formation: -1045.763 kJ/mol
Mo3O8(s)
Mo3O8 = +8.000H+ +2.000e- +3.000MoO4-2 -4.000H2O
log_k -63.56 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
MoS2(s)
MoS2 = +6.000H+ +2.000e- +2.000HS- +1.000MoO4-2 -4.000H2O
log_k -69.91 #
delta_h 385.515 kJ/mol #
# Enthalpy of formation: -271.795 kJ/mol
MoS3(s)
MoS3 = +5.000H+ +3.000HS- +1.000MoO4-2 -4.000H2O
log_k -68.07 #
delta_h 354.849 kJ/mol #
# Enthalpy of formation: -257.429 kJ/mol
Cs2MoO4(s)
Cs2MoO4 = +2.000Cs+ +1.000MoO4-2
log_k 2.21 #
delta_h 1.581 kJ/mol #
# Enthalpy of formation: -1514.581 kJ/mol
Rb2MoO4(s)
Rb2MoO4 = +1.000MoO4-2 +2.000Rb+
log_k 3.1 #
delta_h -5.391 kJ/mol #
# Enthalpy of formation: -1493.849 kJ/mol
MgMoO4(s)
MgMoO4 = +1.000Mg+2 +1.000MoO4-2
log_k -0.64 #
delta_h -62.967 kJ/mol #
# Enthalpy of formation: -1401.033 kJ/mol
CaMoO4(s)
CaMoO4 = +1.000Ca+2 +1.000MoO4-2
log_k -7.9 #
delta_h 1.424 kJ/mol #
# Enthalpy of formation: -1541.424 kJ/mol
SrMoO4(s)
SrMoO4 = +1.000Sr+2 +1.000MoO4-2
log_k -6.59 #54RAO in 74OHA/KEN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
BaMoO4(s)
BaMoO4 = +1.000Ba+2 +1.000MoO4-2
log_k -7.83 #
delta_h 13.822 kJ/mol #
# Enthalpy of formation: -1545.622 kJ/mol
PbMoO4(s)
PbMoO4 = +1.000Pb+2 +1.000MoO4-2
log_k -15.8 #
delta_h 55.795 kJ/mol #
# Enthalpy of formation: -1051.875 kJ/mol
FeMoO4(s)
FeMoO4 = +1.000Fe+2 +1.000MoO4-2
log_k -8.35 #
delta_h -11.534 kJ/mol #
# Enthalpy of formation: -1075.466 kJ/mol
As(s)
As = +8.000H+ +5.000e- +1.000AsO4-3 -4.000H2O
log_k -52.59 #
delta_h 255.18 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 92GRE/FUG
As2O5(s)
As2O5 = +6.000H+ +2.000AsO4-3 -3.000H2O
log_k -34.54 #
delta_h 6.08 kJ/mol #
# Enthalpy of formation: -924.87 kJ/mol 92GRE/FUG
Claudetite
As2O3 = +10.000H+ +4.000e- +2.000AsO4-3 -5.000H2O
log_k -81.39 #
delta_h 307.369 kJ/mol #
# Enthalpy of formation: -654.499 kJ/mol
Orpiment
As2S3 = +13.000H+ +4.000e- +3.000HS- +2.000AsO4-3 -8.000H2O
log_k -127.46 #
delta_h 552.683 kJ/mol #
# Enthalpy of formation: -91.223 kJ/mol
Realgar
AsS = +7.000H+ +3.000e- +1.000HS- +1.000AsO4-3 -4.000H2O
log_k -67.06 #
delta_h 310.286 kJ/mol #
# Enthalpy of formation: -71.406 kJ/mol
Ca(SeO3):H2O(s)
Ca(SeO3):H2O = +1.000Ca+2 +1.000SeO3-2 +1.000H2O
log_k -6.4 #05OLI/NOL
delta_h -11.19 kJ/mol #
# Enthalpy of formation: -1324.8 kJ/mol 05OLI/NOL
Cu(SeO3):2H2O(s)
Cu(SeO3):2H2O = +1.000Cu+2 +1.000SeO3-2 +2.000H2O
log_k -9.5 #Average value from 56CHU and 93SLA/POP in 05OLI/NOL
delta_h -15.32 kJ/mol #
# Enthalpy of formation: -998.6 kJ/mol 05OLI/NOL
Fe2(SeO3)3:6H2O(s)
Fe2(SeO3)3:6H2O = +2.000Fe+3 +3.000SeO3-2 +6.000H2O
log_k -41.58 #05OLI/NOL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
HgSeO3(s)
HgSeO3 = +1.000Hg+2 +1.000SeO3-2
log_k -16.2 #05OLI/NOL
delta_h 36.65 kJ/mol #
# Enthalpy of formation: -373.6 kJ/mol 05OLI/NOL
Downeyite
SeO2 = +2.000H+ +1.000SeO3-2 -1.000H2O
log_k -8.15 #
delta_h 4.06 kJ/mol #
# Enthalpy of formation: -225.39 kJ/mol 05OLI/NOL
Tc2O7:H2O(s)
Tc2O7:H2O = +2.000H+ +2.000TcO4-
log_k 14.1 #
delta_h -44.654 kJ/mol #
# Enthalpy of formation: -1414.146 kJ/mol 99RAR/RAN
Tc2O7(s)
Tc2O7 = +2.000H+ +2.000TcO4- -1.000H2O
log_k 15.31 #
delta_h -46.47 kJ/mol #
# Enthalpy of formation: -1126.5 kJ/mol 99RAR/RAN
K(TcO4)(s)
K(TcO4) = +1.000K+ +1.000TcO4-
log_k -2.28 #
delta_h 53.56 kJ/mol #
# Enthalpy of formation: -1035.1 kJ/mol 99RAR/RAN
Cu2Se(alfa)
Cu2Se = +2.000Cu+ -1.000H+ +1.000HSe-
log_k -45.89 #01SEB/POT
delta_h 216.94 kJ/mol #
# Enthalpy of formation: -59.3 kJ/mol 05OLI/NOL
CuSe(alfa)
CuSe = +1.000Cu+2 -1.000H+ +1.000HSe-
log_k -25.46 #
delta_h 118.7 kJ/mol #
# Enthalpy of formation: -39.5 kJ/mol 05OLI/NOL
Tiemannite
HgSe = +1.000Hg+2 -1.000H+ +1.000HSe-
log_k -45.43 #
delta_h 241.521 kJ/mol #
# Enthalpy of formation: -57.011 kJ/mol
MnSe(alfa)
MnSe = +1.000Mn+2 -1.000H+ +1.000HSe-
log_k 0.3 #
delta_h -28.579 kJ/mol #
# Enthalpy of formation: -177.921 kJ/mol
PdSe(s)
PdSe = -1.000H+ +1.000Pd+2 +1.000HSe-
log_k -49.11 #
delta_h 254.463 kJ/mol #
# Enthalpy of formation: -50.28 kJ/mol 74MIL
SnSe(alfa)
SnSe = +1.000Sn+2 -1.000H+ +1.000HSe-
log_k -21.63 #
delta_h 114.9 kJ/mol #
# Enthalpy of formation: -109.5 kJ/mol 05OLI/NOL
Se(s)
Se = -1.000H+ -2.000e- +1.000HSe-
log_k -7.62 #
delta_h 14.3 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 92GRE/FUG
Se3U(cr)
Se3U = +1.000UO2+2 +1.000H+ +3.000HSe- -2.000H2O
log_k -18.27 #
delta_h 47.56 kJ/mol #
# Enthalpy of formation: -452 kJ/mol 92GRE/FUG
Ag(SeCn)(cr)
Ag(SeCn) = +1.000Ag+ -1.000H+ -2.000e- +1.000Cn- +1.000HSe-
log_k -27.03 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ag2(SeO4)(s)
Ag2(SeO4) = +2.000Ag+ +1.000SeO4-2
log_k -7.86 #05OLI/NOL
delta_h 30.59 kJ/mol #
# Enthalpy of formation: -422.51 kJ/mol 05OLI/NOL
Mg(SeO4):6H2O(s)
Mg(SeO4):6H2O = +1.000Mg+2 +1.000SeO4-2 +6.000H2O
log_k -1.133 #05OLI/NOL
delta_h -4.08 kJ/mol #
# Enthalpy of formation: -2781.4 kJ/mol 05OLI/NOL
SeO3(cr)
SeO3 = +2.000H+ +1.000SeO4-2 -1.000H2O
log_k 20.36 #
delta_h -154.57 kJ/mol #
# Enthalpy of formation: -163.1 kJ/mol 05OLI/NOL
Zn(SeO4):6H2O(s)
Zn(SeO4):6H2O = +1.000Zn+2 +1.000SeO4-2 +6.000H2O
log_k -1.538 #05OLI/NOL
delta_h -13.33 kJ/mol #
# Enthalpy of formation: -2458.54 kJ/mol 05OLI/NOL
Ni(SeO4):6H2O(s)
Ni(SeO4):6H2O = +1.000Ni+2 +1.000SeO4-2 +6.000H2O
log_k -1.381 #05OLI/NOL
delta_h -3.787 kJ/mol #
# Enthalpy of formation: -2369.705 kJ/mol
Calcite
CaCO3 = +1.000Ca+2 +1.000CO3-2
log_k -8.48 #82PLUM/BUS
delta_h -10.62 kJ/mol #82PLUM/BUS
# Enthalpy of formation: -1207.61 kJ/mol
Aragonite
CaCO3 = +1.000Ca+2 +1.000CO3-2
log_k -8.31 #
delta_h -10.454 kJ/mol #
# Enthalpy of formation: -1207.776 kJ/mol 87GAR/PAR
Vaterite
CaCO3 = +1.000Ca+2 +1.000CO3-2
log_k -7.9 #
delta_h -14.93 kJ/mol #
# Enthalpy of formation: -1203.3 kJ/mol 87GAR/PAR
Anhydrite
Ca(SO4) = +1.000Ca+2 +1.000SO4-2
log_k -4.44 #
delta_h -17.94 kJ/mol #
# Enthalpy of formation: -1434.4 kJ/mol 95ROB/HEM
Hydroxyapatite
Ca5(OH)(PO4)3 = +5.000Ca+2 -7.000H+ +3.000H2(PO4)- +1.000H2O
log_k 0.35 #84NAN
delta_h -98.575 kJ/mol #
# Enthalpy of formation: -6810.055 kJ/mol
Fluorapatite
Ca5F(PO4)3 = +5.000Ca+2 -6.000H+ +1.000F- +3.000H2(PO4)-
log_k -0.91 #74HAG
delta_h -115.603 kJ/mol #
# Enthalpy of formation: -6842.547 kJ/mol
Brushite
Ca(HPO4):2H2O = +1.000Ca+2 -1.000H+ +1.000H2(PO4)- +2.000H2O
log_k 0.6 #84NAN
delta_h -7.375 kJ/mol #
# Enthalpy of formation: -2409.885 kJ/mol
Ca3(PO4)2(alfa)
Ca3(PO4)2 = +3.000Ca+2 -4.000H+ +2.000H2(PO4)-
log_k 10.22 #84NAN
delta_h -125.3 kJ/mol #
# Enthalpy of formation: -4108.9 kJ/mol
Ca2(Pyrophos)(s)
Ca2(Pyrophos) = +2.000Ca+2 +1.000Pyrophos-4
log_k -15.5 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ca(SO3)(s)
Ca(SO3) = +1.000Ca+2 +1.000SO3-2
log_k -6.5 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ca3(AsO4)2(s)
Ca3(AsO4)2 = +3.000Ca+2 +2.000AsO4-3
log_k -18.9 #
delta_h -106.866 kJ/mol #
# Enthalpy of formation: -3298.413 kJ/mol
Rb(s)
Rb = +1.000e- +1.000Rb+
log_k 49.76 #
delta_h -251.12 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 92GRE/FUG
Al(PO4)(cr)
Al(PO4) = +1.000Al+3 -2.000H+ +1.000H2(PO4)-
log_k -2.94 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
#delta_h kJ/mol #
# Enthalpy of formation: -1822.8 kJ/mol
Berlinite
Al(PO4) = +1.000Al+3 -2.000H+ +1.000H2(PO4)-
log_k -0.57 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ca(SeO4):2H2O(s)
Ca(SeO4):2H2O = +1.000Ca+2 +1.000SeO4-2 +2.000H2O
log_k -2.68 #05OLI/NOL
delta_h -9.16 kJ/mol #
# Enthalpy of formation: -1709 kJ/mol 05OLI/NOL
Portlandite
Ca(OH)2 = +1.000Ca+2 -2.000H+ +2.000H2O
log_k 22.81 #07BLA/BOU
delta_h -130.107 kJ/mol #
# Enthalpy of formation: -984.553 kJ/mol
MgF2(cr)
MgF2 = +1.000Mg+2 +2.000F-
log_k -9.22 #92GRE/FUG
delta_h -13.5 kJ/mol #
# Enthalpy of formation: -1124.2 kJ/mol
Mg(HPO4):3H2O(s)
Mg(HPO4):3H2O = +1.000Mg+2 -1.000H+ +1.000H2(PO4)- +3.000H2O
log_k 1.41 #01WEN/MUS
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Mg3(PO4)2(cr)
Mg3(PO4)2 = +3.000Mg+2 -4.000H+ +2.000H2(PO4)-
log_k 15.82 #68RAC/SOP
delta_h -214.093 kJ/mol #
# Enthalpy of formation: -3792.107 kJ/mol
Mg3(PO4)2:8H2O(s)
Mg3(PO4)2:8H2O = +3.000Mg+2 -4.000H+ +2.000H2(PO4)- +8.000H2O
log_k 13.9 #63TAY/FRA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Mg3(PO4)2:22H2O(s)
Mg3(PO4)2:22H2O = +3.000Mg+2 -4.000H+ +2.000H2(PO4)- +22.000H2O
log_k 16 #63TAY/FRA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Brucite
Mg(OH)2 = +1.000Mg+2 -2.000H+ +2.000H2O
log_k 17.1 #03ALT/MET
delta_h -114.16 kJ/mol #
# Enthalpy of formation: -924.5 kJ/mol 95ROB/HEM
Sr(OH)2(s)
Sr(OH)2 = +1.000Sr+2 -2.000H+ +2.000H2O
log_k 27.51 #
delta_h -153.67 kJ/mol #
# Enthalpy of formation: -968.89 kJ/mol 98CHA
Strontianite
Sr(CO3) = +1.000Sr+2 +1.000CO3-2
log_k -9.27 #84BUS/PLU
delta_h -0.366 kJ/mol #
# Enthalpy of formation: -1225.764 kJ/mol
Celestite
Sr(SO4) = +1.000Sr+2 +1.000SO4-2
log_k -6.62 #06BLA/ING
delta_h -2.451 kJ/mol #
# Enthalpy of formation: -1457.788 kJ/mol
SrCl2(s)
SrCl2 = +1.000Sr+2 +2.000Cl-
log_k 8.12 #
delta_h -56.21 kJ/mol #
# Enthalpy of formation: -828.85 kJ/mol 98CHA
SrCl2:H2O(s)
SrCl2:H2O = +1.000Sr+2 +2.000Cl- +1.000H2O
log_k 4.91 #
delta_h -34.09 kJ/mol #
# Enthalpy of formation: -1136.8 kJ/mol 82WAG/EVA
SrCl2:6H2O(s)
SrCl2:6H2O = +1.000Sr+2 +2.000Cl- +6.000H2O
log_k 1.61 #
delta_h 23.76 kJ/mol #
# Enthalpy of formation: -2623.8 kJ/mol 82WAG/EVA
SrF2(cr)
SrF2 = +1.000Sr+2 +2.000F-
log_k -8.54 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Sr(HPO4)(s)
Sr(HPO4) = +1.000Sr+2 -1.000H+ +1.000H2(PO4)-
log_k 0.28 #97MAR/SMI
delta_h -19.487 kJ/mol #
# Enthalpy of formation: -1834.012 kJ/mol
Sr3(PO4)2(s)
Sr3(PO4)2 = +3.000Sr+2 -4.000H+ +2.000H2(PO4)-
log_k 10.53 #06BLA/ING
delta_h -147.9 kJ/mol #
# Enthalpy of formation: -4110 kJ/mol 97KHA/JEM
Sr3(AsO4)2(s)
Sr3(AsO4)2 = +3.000Sr+2 +2.000AsO4-3
log_k -16.08 #
delta_h -109.493 kJ/mol #
# Enthalpy of formation: -3319.487 kJ/mol
Sr(SeO3)(cr)
Sr(SeO3) = +1.000Sr+2 +1.000SeO3-2
log_k -6.3 #05OLI/NOL
delta_h -6.16 kJ/mol #
# Enthalpy of formation: -1051.9 kJ/mol 05OLI/NOL
Sr(NO3)2(cr)
Sr(NO3)2 = +1.000Sr+2 +2.000NO3-
log_k 0.4 #
delta_h 17.76 kJ/mol #
# Enthalpy of formation: -982.36 kJ/mol 92GRE/FUG
Sr(NO3)2:2H2O(s)
Sr(NO3)2:2H2O = +1.000Sr+2 +2.000NO3- +2.000H2O
log_k 0.05 #25/08/1994
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Fe(PO4)(cr)
Fe(PO4) = +1.000Fe+3 -2.000H+ +1.000H2(PO4)-
log_k -6.24 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
delta_h -18.6 kJ/mol #
# Enthalpy of formation: -1333 kJ/mol
Ferrihydrite(am)
Fe(OH)3 = +1.000Fe+3 -3.000H+ +3.000H2O
log_k 2.54 #63SCH/MIC
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Goethite
FeOOH = +1.000Fe+3 -3.000H+ +2.000H2O
log_k 0.39 #63SCH/MIC
delta_h -61.522 kJ/mol #
# Enthalpy of formation: -559.124 kJ/mol
Hematite
Fe2O3 = +2.000Fe+3 -6.000H+ +3.000H2O
log_k -1.02 #05GRI
delta_h -123.679 kJ/mol #
# Enthalpy of formation: -831.811 kJ/mol
Siderite
Fe(CO3) = +1.000Fe+2 +1.000CO3-2
log_k -10.8 #92BRU/WER
delta_h -12.012 kJ/mol #
# Enthalpy of formation: -753.218 kJ/mol
Fe(OH)2(cr)
Fe(OH)2 = +1.000Fe+2 -2.000H+ +2.000H2O
log_k 12.76 #
delta_h -99.056 kJ/mol #
# Enthalpy of formation: -574.011 kJ/mol
Rhodochrosite(syn)
Mn(CO3) = +1.000Mn+2 +1.000CO3-2
log_k -10.52 #
delta_h -6.792 kJ/mol #
# Enthalpy of formation: -889.188 kJ/mol 92JOH
Alabandite
MnS = +1.000Mn+2 -1.000H+ +1.000HS-
log_k 0.9 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Mn2(Pyrophos)(s)
Mn2(Pyrophos) = +2.000Mn+2 +1.000Pyrophos-4
log_k -19.5 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Mn(H2SiO4)(s)
Mn(H2SiO4) = +1.000Mn+2 -2.000H+ +1.000H4(SiO4)
log_k 12.44 #88CHA/NEW
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Mn(SeO3):2H2O(cr)
Mn(SeO3):2H2O = +1.000Mn+2 +1.000SeO3-2 +2.000H2O
log_k -7.6 #05OLI/NOL
delta_h -18.92 kJ/mol #
# Enthalpy of formation: -1280.7 kJ/mol 05OLI/NOL
Pyrochroite
Mn(OH)2 = +1.000Mn+2 -2.000H+ +2.000H2O
log_k 15.3 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Cu3(AsO4)2(s)
Cu3(AsO4)2 = +3.000Cu+2 +2.000AsO4-3
log_k -34.88 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ba(OH)2:8H2O(cr)
Ba(OH)2:8H2O = +1.000Ba+2 -2.000H+ +10.000H2O
log_k 23.87 #
delta_h -52.509 kJ/mol #
# Enthalpy of formation: -3340.591 kJ/mol
Witherite
Ba(CO3) = +1.000Ba+2 +1.000CO3-2
log_k -8.56 #86BUS/PLU
delta_h 2.941 kJ/mol #86BUS/PLU
# Enthalpy of formation: -1212.971 kJ/mol
Barite
Ba(SO4) = +1.000Ba+2 +1.000SO4-2
log_k -9.97 #85LAN/MEL in 90NOR/PLU
delta_h 26.46 kJ/mol #85LAN/MEL in 90NOR/PLU
# Enthalpy of formation: -1470.6 kJ/mol
BaF2(cr)
BaF2 = +1.000Ba+2 +2.000F-
log_k -6.32 #
delta_h 1.631 kJ/mol #
# Enthalpy of formation: -1207.131 kJ/mol
Ba(SeO3)(s)
Ba(SeO3) = +1.000Ba+2 +1.000SeO3-2
log_k -6.5 #05OLI/NOL
delta_h -5.26 kJ/mol #
# Enthalpy of formation: -1036.7 kJ/mol 05OLI/NOL
Cd(CO3)(s)
Cd(CO3) = +1.000Cd+2 +1.000CO3-2
log_k -12.1 #91RAI/FEL
delta_h 1.482 kJ/mol #
# Enthalpy of formation: -752.632 kJ/mol
CdS(s)
CdS = +1.000Cd+2 -1.000H+ +1.000HS-
log_k -14.82 #99WAN/TES
delta_h 56.57 kJ/mol #
# Enthalpy of formation: -148.79 kJ/mol 06DEO/WAV
Pa(cr)
Pa = +4.000e- +1.000Pa+4
log_k 98.75 #
delta_h -620 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 85BAR/PAR
PaO2(s)
PaO2 = -4.000H+ +1.000Pa+4 +2.000H2O
log_k 0.6 #76BAE/MES
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Pa2O5(s)
Pa2O5 = -2.000H+ +2.000PaO2+ +1.000H2O
log_k -4 #76BAE/MES
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Hg2SeO3(s)
Hg2SeO3 = +1.000SeO3-2 +1.000Hg2+2
log_k -15.2 #05OLI/NOL
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Zr(cr)
Zr = +4.000e- +1.000Zr+4
log_k 92.59 #
delta_h -608.5 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 05BRO/CUR
ZrO2(cr)
ZrO2 = -4.000H+ +1.000Zr+4 +2.000H2O
log_k -7 #
delta_h -79.56 kJ/mol #
# Enthalpy of formation: -1100.6 kJ/mol 05BRO/CUR
Zr(OH)4(am,fresh)
Zr(OH)4 = -4.000H+ +1.000Zr+4 +4.000H2O
log_k -3.24 #05BRO/CUR
delta_h -89.62 kJ/mol #
# Enthalpy of formation: -1662.2 kJ/mol 05BRO/CUR
Zr(OH)4(am,aged)
Zr(OH)4 = -4.000H+ +1.000Zr+4 +4.000H2O
log_k -5.55 #Recalculated from 04EKB/KAL in 05BRO/CUR
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
ZrSiO4(s)
ZrSiO4 = -4.000H+ +1.000H4(SiO4) +1.000Zr+4
log_k -14.36 #
delta_h -35.494 kJ/mol #
# Enthalpy of formation: -2034.2 kJ/mol 05BRO/CUR
Zr(SO4)2(cr)
Zr(SO4)2 = +2.000SO4-2 +1.000Zr+4
log_k 1.24 #
delta_h -181.98 kJ/mol #
# Enthalpy of formation: -2245.2 kJ/mol 05BRO/CUR
Zr(SO4)2:4H2O(s)
Zr(SO4)2:4H2O = +2.000SO4-2 +1.000Zr+4 +4.000H2O
log_k -7.65 #
delta_h -99.6 kJ/mol #
# Enthalpy of formation: -3470.9 kJ/mol 05BRO/CUR
ZrF2(s)
ZrF2 = +2.000e- +2.000F- +1.000Zr+4
log_k 32.61 #
delta_h -323.2 kJ/mol #
# Enthalpy of formation: -956 kJ/mol 97VIS/COR
ZrF3(s)
ZrF3 = +1.000e- +3.000F- +1.000Zr+4
log_k 2.8 #
delta_h -181.55 kJ/mol #
# Enthalpy of formation: -1433 kJ/mol 97VIS/COR
ZrF4(beta)
ZrF4 = +4.000F- +1.000Zr+4
log_k -27.25 #
delta_h -38.6 kJ/mol #
# Enthalpy of formation: -1911.3 kJ/mol 05BRO/CUR
ZrCl(s)
ZrCl = +3.000e- +1.000Cl- +1.000Zr+4
log_k 69.24 #
delta_h -484.38 kJ/mol #
# Enthalpy of formation: -291.2 kJ/mol 05BRO/CUR
ZrCl2(s)
ZrCl2 = +2.000e- +2.000Cl- +1.000Zr+4
log_k 51.65 #
delta_h -399.86 kJ/mol #
# Enthalpy of formation: -542.8 kJ/mol 05BRO/CUR
ZrCl3(s)
ZrCl3 = +1.000e- +3.000Cl- +1.000Zr+4
log_k 40.72 #
delta_h -349.64 kJ/mol #
# Enthalpy of formation: -760.1 kJ/mol 05BRO/CUR
ZrCl4(s)
ZrCl4 = +4.000Cl- +1.000Zr+4
log_k 28.6 #
delta_h -296.02 kJ/mol #
# Enthalpy of formation: -980.8 kJ/mol 05BRO/CUR
Zr(HPO4)2(alfa)
Zr(HPO4)2 = -2.000H+ +2.000H2(PO4)- +1.000Zr+4
log_k -32.27 #
delta_h -47.5 kJ/mol #
# Enthalpy of formation: -3166.2 kJ/mol 05BRO/CUR
Ca2ZrSi3O12(cr)
Ca2ZrSi3O12 = +2.000Ca+2 -12.000H+ -4.000e- +3.000H4(SiO4) +1.000Zr+4
log_k -68.27 #
delta_h 204.918 kJ/mol #
# Enthalpy of formation: -6283 kJ/mol 05BRO/CUR
Ca3ZrSi2O9(cr)
Ca3ZrSi2O9 = +3.000Ca+2 -10.000H+ +2.000H4(SiO4) +1.000Zr+4 +1.000H2O
log_k 47.87 #
delta_h -416.718 kJ/mol #
# Enthalpy of formation: -5029 kJ/mol 05BRO/CUR
SrZrSi2O7(cr)
SrZrSi2O7 = +1.000Sr+2 -6.000H+ +2.000H4(SiO4) +1.000Zr+4 -1.000H2O
log_k 5.2 #
delta_h -155.158 kJ/mol #
# Enthalpy of formation: -3640.8 kJ/mol 05BRO/CUR
Na2ZrSiO5(cr)
Na2ZrSiO5 = +2.000Na+ -6.000H+ +1.000H4(SiO4) +1.000Zr+4 +1.000H2O
log_k 13.19 #
delta_h -166.204 kJ/mol #
# Enthalpy of formation: -2670 kJ/mol 05BRO/CUR
Na2ZrSi2O7(cr)
Na2ZrSi2O7 = +2.000Na+ -6.000H+ +2.000H4(SiO4) +1.000Zr+4 -1.000H2O
log_k 3.74 #
delta_h -119.738 kJ/mol #
# Enthalpy of formation: -3606 kJ/mol 05BRO/CUR
Na2ZrSi3O9:2H2O(cr)
Na2ZrSi3O9:2H2O = +2.000Na+ -6.000H+ +3.000H4(SiO4) +1.000Zr+4 -1.000H2O
log_k 15.58 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Na2ZrSi4O11(cr)
Na2ZrSi4O11 = +2.000Na+ -6.000H+ +4.000H4(SiO4) +1.000Zr+4 -5.000H2O
log_k -13.56 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Na2ZrSi6O15:3H2O(cr)
Na2ZrSi6O15:3H2O = +2.000Na+ -6.000H+ +6.000H4(SiO4) +1.000Zr+4 -6.000H2O
log_k 16.46 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Na4Zr2Si3O12(cr)
Na4Zr2Si3O12 = +4.000Na+ -12.000H+ +3.000H4(SiO4) +2.000Zr+4
log_k 15.51 #
delta_h -276.942 kJ/mol #
# Enthalpy of formation: -6285 kJ/mol 05BRO/CUR
Zr(HPO4)2:H2O(cr)
Zr(HPO4)2:H2O = -2.000H+ +2.000H2(PO4)- +1.000Zr+4 +1.000H2O
log_k -27.08 #05BRO/CUR
delta_h -33.43 kJ/mol #
# Enthalpy of formation: -3466.1 kJ/mol 05BRO/CUR
Sb2O5(s)
Sb2O5 = +2.000Sb(OH)5 -5.000H2O
log_k -7.4 #48TOU/MOU in 76BAE/MES
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Cd3(AsO4)2(s)
Cd3(AsO4)2 = +3.000Cd+2 +2.000AsO4-3
log_k -32.62 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Cm(cr)
Cm = +3.000e- +1.000Cm+3
log_k 104.31 #01KON
delta_h -615 kJ/mol #
# Enthalpy of formation: 0 kJ/mol
Cm(OH)3(am)
Cm(OH)3 = -3.000H+ +1.000Cm+3 +3.000H2O
log_k 17.9 #estimated from ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Cm(OH)3(cr)
Cm(OH)3 = -3.000H+ +1.000Cm+3 +3.000H2O
log_k 15.6 #estimated from ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Cm2O3(cr)
Cm2O3 = -6.000H+ +2.000Cm+3 +3.000H2O
log_k 53.1 #
delta_h -403.49 kJ/mol #
# Enthalpy of formation: -1684 kJ/mol 01KON
CmOHCO3(am)
CmOHCO3 = -1.000H+ +1.000CO3-2 +1.000Cm+3 +1.000H2O
log_k -6.12 #estimated in anlogy with Ln(III) and Am(III)
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Cm2(CO3)3(am)
Cm2(CO3)3 = +3.000CO3-2 +2.000Cm+3
log_k -33.9 #estimated in analogy wiht Ln(III) and Am(III)
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Cd(OH)2(s)
Cd(OH)2 = +1.000Cd+2 -2.000H+ +2.000H2O
log_k 13.86 #91RAI/FEL
delta_h -87.73 kJ/mol #
# Enthalpy of formation: -559.85 kJ/mol
Cm(PO4):xH2O(s)
Cm(PO4) = -2.000H+ +1.000H2(PO4)- +1.000Cm+3
log_k -4.97 #estimated by correlation with Ln(III)
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
CmF3(cr)
CmF3 = +3.000F- +1.000Cm+3
log_k -13.16 #
delta_h -32.036 kJ/mol #
# Enthalpy of formation: -1589.014 kJ/mol estimated by 97SVE/SHO equation
CmCl3(cr)
CmCl3 = +3.000Cl- +1.000Cm+3
log_k 15.07 #
delta_h -141.84 kJ/mol #
# Enthalpy of formation: -974.4 kJ/mol 85BAR/PAR
CmOCl(cr)
CmOCl = -2.000H+ +1.000Cl- +1.000Cm+3 +1.000H2O
log_k 9.49 #
delta_h -104.71 kJ/mol #
# Enthalpy of formation: -963.2 kJ/mol 85BAR/PAR
Cm(CO3)(OH):0.5H2O(s)
Cm(CO3)(OH):0.5H2O = -1.000H+ +1.000CO3-2 +1.000Cm+3 +1.500H2O
log_k -7.78 #estimated by correlation with Ln(III) and An(III)
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Cm(CO3)(OH)(cr)
Cm(CO3)(OH) = -1.000H+ +1.000CO3-2 +1.000Cm+3 +1.000H2O
log_k -10.34 #estimated by correlation with Ln(III) and An(III)
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Zn3(AsO4)2(s)
Zn3(AsO4)2 = +3.000Zn+2 +2.000AsO4-3
log_k -27.45 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ni(SO4):7H2O(s)
Ni(SO4):7H2O = +1.000Ni+2 +1.000SO4-2 +7.000H2O
log_k -2.27 #05GAM/BUG
delta_h 12.167 kJ/mol #05GAM/BUG
# Enthalpy of formation: -2977.329 kJ/mol
NiCl2(s)
NiCl2 = +1.000Ni+2 +2.000Cl-
log_k 8.67 #
delta_h -84.272 kJ/mol #
# Enthalpy of formation: -304.9 kJ/mol 05GAM/BUG
NiCl2:4H2O(s)
NiCl2:4H2O = +1.000Ni+2 +2.000Cl- +4.000H2O
log_k 3.82 #
delta_h -18.444 kJ/mol #05GAM/BUG
# Enthalpy of formation: -1514.048 kJ/mol
NiCl2:6H2O(s)
NiCl2:6H2O = +1.000Ni+2 +2.000Cl- +6.000H2O
log_k 3.04 #
delta_h 0.548 kJ/mol #
# Enthalpy of formation: -2104.7 kJ/mol 05GAM/BUG
NiF2(s)
NiF2 = +1.000Ni+2 +2.000F-
log_k -0.18 #
delta_h -68.412 kJ/mol #
# Enthalpy of formation: -657.3 kJ/mol 05GAM/BUG
Heazlewoodite
Ni3S2 = +3.000Ni+2 -2.000H+ +2.000e- +2.000HS-
log_k -17.23 #
delta_h 19.564 kJ/mol #
# Enthalpy of formation: -217.2 kJ/mol 05GAM/BUG
Vaesite
NiS2 = +1.000Ni+2 -2.000H+ -2.000e- +2.000HS-
log_k -17.97 #
delta_h 40.388 kJ/mol #
# Enthalpy of formation: -128 kJ/mol 05GAM/BUG
Polydymite
Ni3S4 = +3.000Ni+2 -4.000H+ -2.000e- +4.000HS-
log_k -39.27 #
delta_h 96.116 kJ/mol #
# Enthalpy of formation: -326.352 kJ/mol 74MIL
Ni3(PO4)2(cr)
Ni3(PO4)2 = +3.000Ni+2 -4.000H+ +2.000H2(PO4)-
log_k 10.253 #
delta_h -188.236 kJ/mol #
# Enthalpy of formation: -2582 kJ/mol 89BAE/McK
Ni(SeO3):2H2O(cr)
Ni(SeO3):2H2O = +1.000Ni+2 +1.000SeO3-2 +2.000H2O
log_k -5.8 #05OLI/NOL
delta_h -24.502 kJ/mol #
# Enthalpy of formation: -1109.33 kJ/mol 05OLI/NOL
Ni(OH)2(s)
Ni(OH)2 = +1.000Ni+2 -2.000H+ +2.000H2O
log_k 11.03 #
delta_h -84.39 kJ/mol #
# Enthalpy of formation: -542.3 kJ/mol 05GAM/BUG
Trevorite
Fe2NiO4 = +2.000Fe+3 +1.000Ni+2 -8.000H+ +4.000H2O
log_k 9.4 #
delta_h -214.413 kJ/mol #
# Enthalpy of formation: -1081.173 kJ/mol
Cerussite
Pb(CO3) = +1.000Pb+2 +1.000CO3-2
log_k -13.29 #
delta_h 27.414 kJ/mol #
# Enthalpy of formation: -701.723 kJ/mol
Hydrocerussite
Pb3(CO3)2(OH)2 = +3.000Pb+2 -2.000H+ +2.000CO3-2 +2.000H2O
log_k -17.91 #
delta_h -5.16 kJ/mol #
# Enthalpy of formation: -1914.2 kJ/mol 83SAN/BAR
Cr(s)
Cr = +8.000H+ +6.000e- +1.000CrO4-2 -4.000H2O
log_k -39.31 #
delta_h 264.3 kJ/mol #
# Enthalpy of formation: 0 kJ/mol
CrO2(cr)
CrO2 = +4.000H+ +2.000e- +1.000CrO4-2 -2.000H2O
log_k -51.68 #
delta_h 290.56 kJ/mol #
# Enthalpy of formation: -597.9 kJ/mol 93BAR, 04CHI
CrO3(cr)
CrO3 = +2.000H+ +1.000CrO4-2 -1.000H2O
log_k -3.02 #
delta_h -10.07 kJ/mol #
# Enthalpy of formation: -583.1 kJ/mol 98BAL/NOR, 04CHI
Cr(OH)2(cr)
Cr(OH)2 = -2.000H+ +1.000Cr+2 +2.000H2O
log_k 11 #41HUM/STO, 04CHI
delta_h -75.459 kJ/mol #
# Enthalpy of formation: -653.82 kJ/mol
CrS(s)
CrS = -1.000H+ +1.000HS- +1.000Cr+2
log_k 1.66 #
delta_h -38.8 kJ/mol #
# Enthalpy of formation: -135.143 kJ/mol 84PAN
CrCl2(cr)
CrCl2 = +2.000Cl- +1.000Cr+2
log_k 12.73 #
delta_h -103.5 kJ/mol #
# Enthalpy of formation: -388.3 kJ/mol 98BAL/NOR
Cr(OH)3(cr)
Cr(OH)3 = -3.000H+ +1.000Cr+3 +3.000H2O
log_k 9.35 #87RAI/SAS, 04CHI
delta_h -115.31 kJ/mol #
# Enthalpy of formation: -982.679 kJ/mol
Cr2O3(cr)
Cr2O3 = -6.000H+ +2.000Cr+3 +3.000H2O
log_k 7.75 #
delta_h -198 kJ/mol #
# Enthalpy of formation: -1140.5 kJ/mol 04CHI
CrPO4(green)
CrPO4 = -2.000H+ +1.000H2(PO4)- +1.000Cr+3
log_k -3.06 #51ZHA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
CrPO4(purple)
CrPO4 = -2.000H+ +1.000H2(PO4)- +1.000Cr+3
log_k 2.56 #51ZHA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Cr2(SO4)3(s)
Cr2(SO4)3 = +3.000SO4-2 +2.000Cr+3
log_k 4.38 #
delta_h -277.72 kJ/mol #
# Enthalpy of formation: -2931.3 kJ/mol 91KNA/KUB
Cr2S3(s)
Cr2S3 = -3.000H+ +3.000HS- +2.000Cr+3
log_k 3.26 #
delta_h -195.2 kJ/mol #
# Enthalpy of formation: -334.7 kJ/mol 84PAN
CrCl3(cr)
CrCl3 = +3.000Cl- +1.000Cr+3
log_k 20.19 #
delta_h -197.3 kJ/mol #
# Enthalpy of formation: -544.4 kJ/mol 98BAL/NOR
MX80(des)
(Ca0.01Na0.434K0.026)(Si3.612Al0.388)(Al1.608Fe0.184Fe0.038Mg0.228)O10(OH)2 = +0.010Ca+2 +0.228Mg+2 +0.026K+ +0.434Na+ +0.184Fe+3 +0.038Fe+2 +1.996Al+3 -7.552H+ +3.612H4(SiO4) -2.448H2O
log_k 8.35 #
delta_h -215.133 kJ/mol #
# Enthalpy of formation: -5672.84 kJ/mol 07GAI/BLA
UO4Li2(s)
UO4Li2 = +2.000Li+ +1.000UO2+2 -4.000H+ +2.000H2O
log_k 27.94 #
delta_h -179.4 kJ/mol #
# Enthalpy of formation: -1968.2 kJ/mol 92GRE/FUG
Anglesite
Pb(SO4) = +1.000Pb+2 +1.000SO4-2
log_k -7.85 #
delta_h 11.55 kJ/mol #
# Enthalpy of formation: -919.97 kJ/mol 89COX/WAG
PbF2(s)
PbF2 = +1.000Pb+2 +2.000F-
log_k -7.52 #99LOT/OCH
delta_h 6.53 kJ/mol #
# Enthalpy of formation: -676.31 kJ/mol
Galena
PbS = +1.000Pb+2 -1.000H+ +1.000HS-
log_k -14.84 #
delta_h 82.94 kJ/mol #
# Enthalpy of formation: -98.32 kJ/mol 98CHA
Pb(HPO4)(s)
Pb(HPO4) = +1.000Pb+2 -1.000H+ +1.000H2(PO4)-
log_k -4.25 #74NRI
delta_h 16.436 kJ/mol #
# Enthalpy of formation: -1318.116 kJ/mol
Pb3(PO4)2(s)
Pb3(PO4)2 = +3.000Pb+2 -4.000H+ +2.000H2(PO4)-
log_k -5.26 #74NRI
delta_h -3.548 kJ/mol #
# Enthalpy of formation: -2598.892 kJ/mol
Pyromorphite-OH
Pb5(OH)(PO4)3 = +5.000Pb+2 -7.000H+ +3.000H2(PO4)- +1.000H2O
log_k -4.15 #74NRI
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Pb2(SiO4)(s)
Pb2(SiO4) = +2.000Pb+2 -4.000H+ +1.000H4(SiO4)
log_k 15.89 #
delta_h -81.474 kJ/mol #
# Enthalpy of formation: -1377.88 kJ/mol 98CHA
Pb3(AsO4)2(s)
Pb3(AsO4)2 = +3.000Pb+2 +2.000AsO4-3
log_k -35.4 #74NAU/RYZ
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Pb(SeO3)(s)
Pb(SeO3) = +1.000Pb+2 +1.000SeO3-2
log_k -12.5 #05OLI/NOL
delta_h 25.84 kJ/mol #
# Enthalpy of formation: -532.08 kJ/mol 05OLI/NOL
Pb(cr)
Pb = +1.000Pb+2 +2.000e-
log_k 4.25 #
delta_h 0.92 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 89COX/WAG
Co3(AsO4)2(s)
Co3(AsO4)2 = +3.000Co+2 +2.000AsO4-3
log_k -27.56 #
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ag2(CO3)(s)
Ag2(CO3) = +2.000Ag+ +1.000CO3-2
log_k -11.05 #
delta_h 42.073 kJ/mol #
# Enthalpy of formation: -505.723 kJ/mol
AgCl(cr)
AgCl = +1.000Ag+ +1.000Cl-
log_k -9.75 #
delta_h 65.72 kJ/mol #
# Enthalpy of formation: -127.01 kJ/mol 92GRE/FUG
AgBr(s)
AgBr = +1.000Ag+ +1.000Br-
log_k -12.29 #
delta_h 84.725 kJ/mol #
# Enthalpy of formation: -100.345 kJ/mol
AgI(s)
AgI = +1.000Ag+ +1.000I-
log_k -16.04 #
delta_h 110.764 kJ/mol #
# Enthalpy of formation: -61.754 kJ/mol
Acanthite
Ag2S = +2.000Ag+ -1.000H+ +1.000HS-
log_k -36.07 #
delta_h 224.768 kJ/mol #
# Enthalpy of formation: -29.488 kJ/mol
Ag2(MoO4)(s)
Ag2(MoO4) = +2.000Ag+ +1.000MoO4-2
log_k -11.46 #
delta_h 55.354 kJ/mol #
# Enthalpy of formation: -840.774 kJ/mol
Ag2(SeO3)(s)
Ag2(SeO3) = +2.000Ag+ +1.000SeO3-2
log_k -15.8 #05OLI/NOL
delta_h 67.86 kJ/mol #
# Enthalpy of formation: -363.44 kJ/mol 05OLI/NOL
Ag(OH)(s)
Ag(OH) = +1.000Ag+ -1.000H+ +1.000H2O
log_k 6.3 #76BAE/MES
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Al(PO4):2H2O(s)
Al(PO4):2H2O = +1.000Al+3 -2.000H+ +1.000H2(PO4)- +2.000H2O
log_k -2.51 #620BRG91.025 ANDRA 21.10.94
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Al2(OH)(PO4)2(s)
Al2(OH)(PO4)2 = +2.000Al+3 -5.000H+ -1.000e- +2.000H2(PO4)- +1.000H2O
log_k -15.88 #620BRG91.025 ANDRA 21.10.94
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Kaolinite
Al2(Si2O5)(OH)4 = +2.000Al+3 -6.000H+ +2.000H4(SiO4) +1.000H2O
log_k 6.47 #
delta_h -169.718 kJ/mol #
# Enthalpy of formation: -4115.3 kJ/mol 01FIA/NAV
Gibbsite
Al(OH)3 = +1.000Al+3 -3.000H+ +3.000H2O
log_k 7.74 #95POK/HEL
delta_h -102.759 kJ/mol #
# Enthalpy of formation: -1293.131 kJ/mol
Cs2(CO3)(s)
Cs2(CO3) = +2.000Cs+ +1.000CO3-2
log_k 9.9 #
delta_h -55.348 kJ/mol #
# Enthalpy of formation: -1135.882 kJ/mol
Cs2(SO4)(s)
Cs2(SO4) = +2.000Cs+ +1.000SO4-2
log_k 0.58 #
delta_h 17.756 kJ/mol #
# Enthalpy of formation: -1443.096 kJ/mol
Romarchite
SnO = +1.000Sn+2 -2.000H+ +1.000H2O
log_k 2.5 #02HUM/BER
delta_h -15.439 kJ/mol #
# Enthalpy of formation: -279.291 kJ/mol
Herzenbergite
SnS = +1.000Sn+2 -1.000H+ +1.000HS-
log_k -14.7 #87PEI/FRE recalculated in 02HUM/BER
delta_h 75.951 kJ/mol #
# Enthalpy of formation: -101.152 kJ/mol
Sn(OH)4(s)
Sn(OH)4 = +1.000Sn+4 -4.000H+ +4.000H2O
log_k -1.28 #70BAR/KLI in 01SEB/POT
delta_h -2.82 kJ/mol #
# Enthalpy of formation: -1110 kJ/mol 82WAG/EVA
SnO2(am)
SnO2 = +1.000Sn+4 -4.000H+ +2.000H2O
log_k -6.81 #02HUM/BER
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Berndtite
SnS2 = +1.000Sn+4 -2.000H+ +2.000HS-
log_k -29.31 #
delta_h 147.7 kJ/mol #
# Enthalpy of formation: -149.8 kJ/mol 95ROB/HEM
Quartz
SiO2 = +1.000H4(SiO4) -2.000H2O
log_k -3.74 #
delta_h 21.166 kJ/mol #
# Enthalpy of formation: -910.7 kJ/mol 82RIC
Pyrite
FeS2 = +1.000Fe+2 -2.000H+ -2.000e- +2.000HS-
log_k -15.79 #
delta_h 45.05 kJ/mol #
# Enthalpy of formation: -167.65 kJ/mol 76RAU in 04CHI
MnO2(s)
MnO2 = +1.000Mn+2 -4.000H+ -2.000e- +2.000H2O
log_k 42 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Plattnerite
PbO2 = +1.000Pb+2 -4.000H+ -2.000e- +2.000H2O
log_k 49.6 #
delta_h -296.27 kJ/mol #
# Enthalpy of formation: -274.47 kJ/mol 98CHA
UO4Sr(alfa)
UO4Sr = +1.000Sr+2 +1.000UO2+2 -4.000H+ +2.000H2O
log_k 19.16 #
delta_h -151.96 kJ/mol #
# Enthalpy of formation: -1989.6 kJ/mol 92GRE/FUG
Th(HPO4)2(s)
Th(HPO4)2 = +1.000Th+4 -2.000H+ +2.000H2(PO4)-
log_k -16.11 #Estimated from An(IV) correlations
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
ThO2(aged)
ThO2 = +1.000Th+4 -4.000H+ +2.000H2O
log_k 8.5 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
UO2(SO4):3H2O(cr)
UO2(SO4):3H2O = +1.000UO2+2 +1.000SO4-2 +3.000H2O
log_k -1.5 #92GRE/FUG
delta_h -34.33 kJ/mol #
# Enthalpy of formation: -2751.5 kJ/mol 92GRE/FUG
UO2(SO4):3.5H2O(cr)
UO2(SO4):3.5H2O = +1.000UO2+2 +1.000SO4-2 +3.500H2O
log_k -1.59 #
delta_h -27.145 kJ/mol #
# Enthalpy of formation: -2901.6 kJ/mol 92GRE/FUG
UO2(SO3)(cr)
UO2(SO3) = +1.000UO2+2 +1.000SO3-2
log_k -15.83 #
delta_h 6.45 kJ/mol #
# Enthalpy of formation: -1661 kJ/mol 92GRE/FUG
UO2(SO4)(cr)
UO2(SO4) = +1.000UO2+2 +1.000SO4-2
log_k 1.89 #92GRE/FUG
delta_h -83.2 kJ/mol #
# Enthalpy of formation: -1845.14 kJ/mol 92GRE/FUG
(UO2)3(AsO4)2(cr)
(UO2)3(AsO4)2 = +3.000UO2+2 +2.000AsO4-3
log_k -27.4 #
delta_h -143.88 kJ/mol #
# Enthalpy of formation: -4689.4 kJ/mol 92GRE/FUG
(UO2)2(As2O7)(cr)
(UO2)2(As2O7) = +2.000UO2+2 +2.000H+ +2.000AsO4-3 -1.000H2O
log_k -29.01 #
delta_h -102.45 kJ/mol #
# Enthalpy of formation: -3426 kJ/mol 92GRE/FUG
(UO2)3(PO4)2:6H2O(s)
(UO2)3(PO4)2:6H2O = +3.000UO2+2 -4.000H+ +2.000H2(PO4)- +6.000H2O
log_k -10.2 #
delta_h -48.78 kJ/mol #
# Enthalpy of formation: -7328.4 kJ/mol 03GUI/FAN
UO3(alfa)
UO3 = +1.000UO2+2 -2.000H+ +1.000H2O
log_k 9.52 #
delta_h -92.42 kJ/mol #
# Enthalpy of formation: -1212.41 kJ/mol 03GUI/FAN
UO3(beta)
UO3 = +1.000UO2+2 -2.000H+ +1.000H2O
log_k 8.3 #
delta_h -84.53 kJ/mol #
# Enthalpy of formation: -1220.3 kJ/mol 92GRE/FUG
UO2(OH)2(beta)
UO2(OH)2 = +1.000UO2+2 -2.000H+ +2.000H2O
log_k 4.93 #
delta_h -56.86 kJ/mol #
# Enthalpy of formation: -1533.8 kJ/mol 92GRE/FUG
Schoepite
UO3:2H2O = +1.000UO2+2 -2.000H+ +3.000H2O
log_k 5.96 #91SAN/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Schoepite(desy)
UO3:0.9H2O = +1.000UO2+2 -2.000H+ +1.900H2O
log_k 5 #
delta_h -55.777 kJ/mol #
# Enthalpy of formation: -1506.3 kJ/mol 92GRE/FUG
UO2(SO4):2.5H2O(cr)
UO2(SO4):2.5H2O = +1.000UO2+2 +1.000SO4-2 +2.500H2O
log_k -1.59 #
delta_h -35.915 kJ/mol #
# Enthalpy of formation: -2607 kJ/mol 92GRE/FUG
(UO2)3(PO4)2:4H2O(cr)
(UO2)3(PO4)2:4H2O = +3.000UO2+2 -4.000H+ +2.000H2(PO4)- +4.000H2O
log_k -14.15 #92SAN/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
UO2(HPO4):4H2O(cr)
UO2(HPO4):4H2O = +1.000UO2+2 -1.000H+ +1.000H2(PO4)- +4.000H2O
log_k -4.64 #92GRE/FUG
delta_h 5.048 kJ/mol #
# Enthalpy of formation: -3469.968 kJ/mol
UO4Na2(alfa)
UO4Na2 = +2.000Na+ +1.000UO2+2 -4.000H+ +2.000H2O
log_k 30.03 #
delta_h -173.64 kJ/mol #
# Enthalpy of formation: -1897.7 kJ/mol 92GRE/FUG
UO4Ca(cr)
UO4Ca = +1.000Ca+2 +1.000UO2+2 -4.000H+ +2.000H2O
log_k 15.93 #
delta_h -131.36 kJ/mol #
# Enthalpy of formation: -2002.3 kJ/mol 92GRE/FUG
UO4Mg(cr)
UO4Mg = +1.000Mg+2 +1.000UO2+2 -4.000H+ +2.000H2O
log_k 23.23 #
delta_h -200.36 kJ/mol #
# Enthalpy of formation: -1857.3 kJ/mol 92GRE/FUG
PuO2(OH)2:H2O(s)
PuO2(OH)2:H2O = +1.000PuO2+2 -2.000H+ +3.000H2O
log_k 5.5 #01LEM/FUG
delta_h -46.718 kJ/mol #
# Enthalpy of formation: -1632.808 kJ/mol
PuO2(CO3)(s)
PuO2(CO3) = +1.000PuO2+2 +1.000CO3-2
log_k -14.65 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
PuO2(OH)(s)
PuO2(OH) = +1.000PuO2+ -1.000H+ +1.000H2O
log_k 5 #01LEM/FUG
delta_h -36.164 kJ/mol #
# Enthalpy of formation: -1159.793 kJ/mol
PuO2(s)
PuO2 = +1.000Pu+4 -4.000H+ +2.000H2O
log_k -8.03 #
delta_h -55.755 kJ/mol #
# Enthalpy of formation: -1055.8 kJ/mol 01LEM/FUG
PuF4(s)
PuF4 = +1.000Pu+4 +4.000F-
log_k -26.07 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Pu(HPO4)2(am,hyd)
Pu(HPO4)2 = +1.000Pu+4 -2.000H+ +2.000H2(PO4)-
log_k -16.03 #01LEM/FUG
delta_h -32.718 kJ/mol #
# Enthalpy of formation: -3112.377 kJ/mol
Pu2O3(s)
Pu2O3 = +2.000Pu+3 -6.000H+ +3.000H2O
log_k 50.63 #
delta_h -385.07 kJ/mol #
# Enthalpy of formation: -1656 kJ/mol 01LEM/FUG
Pu(OH)3(cr)
Pu(OH)3 = +1.000Pu+3 -3.000H+ +3.000H2O
log_k 15.8 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Pu(CO3)(OH)(s)
Pu(CO3)(OH) = +1.000Pu+3 -1.000H+ +1.000CO3-2 +1.000H2O
log_k -5.74 #Estimated by correlation with An(III) in function of ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Pu(PO4)(s,hyd)
Pu(PO4) = +1.000Pu+3 -2.000H+ +1.000H2(PO4)-
log_k -5.04 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
U(HPO4)2:4H2O(s)
U(HPO4)2:4H2O = +1.000U+4 -2.000H+ +2.000H2(PO4)- +4.000H2O
log_k -16.07 #92GRE/FUG
delta_h -4.902 kJ/mol #
# Enthalpy of formation: -4334.819 kJ/mol
U(OH)2(SO4)(cr)
U(OH)2(SO4) = +1.000U+4 -2.000H+ +1.000SO4-2 +2.000H2O
log_k -3.17 #92GRE/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
US2(cr)
US2 = +1.000U+4 -2.000H+ +2.000HS-
log_k -2.43 #
delta_h -103.4 kJ/mol #
# Enthalpy of formation: -520.4 kJ/mol 92GRE/FUG
U(SO4)2(cr)
U(SO4)2 = +1.000U+4 +2.000SO4-2
log_k -11.68 #
delta_h -100.28 kJ/mol #
# Enthalpy of formation: -2309.6 kJ/mol 92GRE/FUG
U(SO4)2:4H2O(cr)
U(SO4)2:4H2O = +1.000U+4 +2.000SO4-2 +4.000H2O
log_k -11.72 #
delta_h -70 kJ/mol #
# Enthalpy of formation: -3483.2 kJ/mol 92GRE/FUG
U(SO4)2:8H2O(cr)
U(SO4)2:8H2O = +1.000U+4 +2.000SO4-2 +8.000H2O
log_k -12.77 #
delta_h -33.92 kJ/mol #
# Enthalpy of formation: -4662.6 kJ/mol 92GRE/FUG
USe2(beta)
USe2 = +1.000U+4 -2.000H+ +2.000HSe-
log_k 2.82 #
delta_h -135.6 kJ/mol #
# Enthalpy of formation: -427 kJ/mol 92GRE/FUG
Uraninite
UO2 = +1.000U+4 -4.000H+ +2.000H2O
log_k -4.85 #
delta_h -77.86 kJ/mol #
# Enthalpy of formation: -1085 kJ/mol 92GRE/FUG
Coffinite
U(SiO4) = +1.000U+4 -4.000H+ +1.000H4(SiO4)
log_k -7.8 #
delta_h -61.07 kJ/mol #
# Enthalpy of formation: -1991.326 kJ/mol
Rutherfordine
(UO2)(CO3) = +1.000UO2+2 +1.000CO3-2
log_k -14.76 #03GUI/FAN
delta_h -2.929 kJ/mol #
# Enthalpy of formation: -1691.301 kJ/mol
Np(CO3)(OH)(s)
Np(CO3)(OH) = +1.000Np+3 -1.000H+ +1.000CO3-2 +1.000H2O
log_k -6.06 #Estimated by correlation with An(III) in function of ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Np(OH)3(s)
Np(OH)3 = +1.000Np+3 -3.000H+ +3.000H2O
log_k 18 #80ALL/KIP
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
NpO2(s)
NpO2 = +1.000Np+4 -4.000H+ +2.000H2O
log_k -9.75 #
delta_h -53.682 kJ/mol #
# Enthalpy of formation: -1074 kJ/mol 01LEM/FUG
NpO2:2H2O(am)
NpO2:2H2O = +1.000Np+4 -4.000H+ +4.000H2O
log_k -0.7 #03GUI/FAN
delta_h -81.156 kJ/mol #
# Enthalpy of formation: -1618.186 kJ/mol
Np(HPO4)2(s)
Np(HPO4)2 = +1.000Np+4 -2.000H+ +2.000H2(PO4)-
log_k -16.06 #Estimated by correlation with An(III) in function of ionic radii
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
NpO2(CO3)2Na3(s)
NpO2(CO3)2Na3 = +3.000Na+ +1.000NpO2+ +2.000CO3-2
log_k -14.22 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
NpO2(CO3)Na:3.5H2O(s)
NpO2(CO3)Na:3.5H2O = +1.000Na+ +1.000NpO2+ +1.000CO3-2 +3.500H2O
log_k -11 #03GUI/FAN
delta_h 30.995 kJ/mol #
# Enthalpy of formation: -2925.151 kJ/mol
NpO2(CO3)(s)
NpO2(CO3) = +1.000NpO2+2 +1.000CO3-2
log_k -14.6 #01LEM/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
TcO2(cr)
TcO2 = +1.000TcO(OH)2 -1.000H2O
log_k -9.14 #97NGU/LAN
delta_h -5.69 kJ/mol #
# Enthalpy of formation: -457.8 kJ/mol 99RAR/RAN
Eu2(CO3)3:3H2O(s)
Eu2(CO3)3:3H2O = +2.000Eu+3 +3.000CO3-2 +3.000H2O
log_k -35 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Sm(OH)3(s)
Sm(OH)3 = +1.000Sm+3 -3.000H+ +3.000H2O
log_k 16.13 #98DIA/RAG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Sm2(CO3)3(s)
Sm2(CO3)3 = +2.000Sm+3 +3.000CO3-2
log_k -34.5 #95SPA/BRU
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
U2O7Na2(s)
U2O7Na2 = +2.000Na+ +2.000UO2+2 -6.000H+ +3.000H2O
log_k 22.6 #
delta_h -172.37 kJ/mol #
# Enthalpy of formation: -3203.8 kJ/mol 92GRE/FUG
PdBr2(cr)
PdBr2 = +1.000Pd+2 +2.000Br-
log_k -13.31 #89BAE/McK
delta_h 51.263 kJ/mol #
# Enthalpy of formation: -104.2 kJ/mol 89BAE/McK
PdCl2(cr)
PdCl2 = +1.000Pd+2 +2.000Cl-
log_k -9.2 #
delta_h 54.423 kJ/mol #
# Enthalpy of formation: -198.7 kJ/mol 82WAG/EVA
PdI2(cr)
PdI2 = +1.000Pd+2 +2.000I-
log_k -25.87 #
delta_h 139.923 kJ/mol #
# Enthalpy of formation: -63.6 kJ/mol 89BAE/McK
Pd(OH)2(s)
Pd(OH)2 = -2.000H+ +1.000Pd+2 +2.000H2O
log_k -1.61 #70NAB/KAL
delta_h 13.223 kJ/mol #
# Enthalpy of formation: -395 kJ/mol 82WAG/EVA
PdO(s)
PdO = -2.000H+ +1.000Pd+2 +1.000H2O
log_k -6.02 #
delta_h -10.547 kJ/mol #
# Enthalpy of formation: -85.4 kJ/mol 82WAG/EVA
AmO2(cr)
AmO2 = -4.000H+ +1.000Am+3 -1.000e- +2.000H2O
log_k 34.21 #
delta_h -256.16 kJ/mol #
# Enthalpy of formation: -932.2 kJ/mol 95SIL/BID
Am2O3(cr)
Am2O3 = -6.000H+ +2.000Am+3 +3.000H2O
log_k 53.15 #
delta_h -400.49 kJ/mol #
# Enthalpy of formation: -1690.4 kJ/mol 95SIL/BID
AmF3(cr)
AmF3 = +1.000Am+3 +3.000F-
log_k -13.4 #
delta_h -28.75 kJ/mol #
# Enthalpy of formation: -1594 kJ/mol 03GUI/FAN
AmI3(cr)
AmI3 = +1.000Am+3 +3.000I-
log_k 25.3 #
delta_h -172.04 kJ/mol #
# Enthalpy of formation: -615 kJ/mol 03GUI/FAN
AmOCl(cr)
AmOCl = -2.000H+ +1.000Am+3 +1.000Cl- +1.000H2O
log_k 12.26 #
delta_h -119.81 kJ/mol #
# Enthalpy of formation: -949.8 kJ/mol 95SIL/BID
AmCl3(cr)
AmCl3 = +1.000Am+3 +3.000Cl-
log_k 15.28 #
delta_h -140.14 kJ/mol #
# Enthalpy of formation: -977.8 kJ/mol 95SIL/BID
AmOBr(cr)
AmOBr = -2.000H+ +1.000Am+3 +1.000Br- +1.000H2O
log_k 15.98 #
delta_h -136.94 kJ/mol #
# Enthalpy of formation: -887 kJ/mol 03GUI/FAN
AmBr3(cr)
AmBr3 = +1.000Am+3 +3.000Br-
log_k 23.93 #
delta_h -176.93 kJ/mol #
# Enthalpy of formation: -804 kJ/mol 03GUI/FAN
Am(CO3)2Na:5H2O(s)
Am(CO3)2Na:5H2O = +1.000Na+ +1.000Am+3 +2.000CO3-2 +5.000H2O
log_k -21 #03GUI/FAN
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Am2(CO3)3(cr)
Am2(CO3)3 = +2.000Am+3 +3.000CO3-2
log_k -33.4 #95SIL/BID
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Am(CO3)(OH):0.5H2O(cr)
Am(CO3)(OH):0.5H2O = -1.000H+ +1.000Am+3 +1.000CO3-2 +1.500H2O
log_k -8.4 #03GUI/FAN
delta_h -37.775 kJ/mol #
# Enthalpy of formation: -1682.9 kJ/mol 03GUI/FAN
Am(OH)3(am)
Am(OH)3 = -3.000H+ +1.000Am+3 +3.000H2O
log_k 16.9 #03GUI/FAN, 83RAI/STR, 83EDE/BUC, 85NIT/EDE
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Am(OH)3(cr)
Am(OH)3 = -3.000H+ +1.000Am+3 +3.000H2O
log_k 15.6 #03GUI/FAN, 82SIL, 88STA/KIM
delta_h -120.992 kJ/mol #
# Enthalpy of formation: -1353.2 kJ/mol
Am(PO4):xH2O(am)
Am(PO4) = -2.000H+ +1.000Am+3 +1.000H2(PO4)-
log_k -5.23 #95SIL/BID
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Ra(OH)2(s)
Ra(OH)2 = -2.000H+ +1.000Ra+2 +2.000H2O
log_k 30.99 #
delta_h -149.763 kJ/mol #
# Enthalpy of formation: -949.923 kJ/mol
Ra(CO3)(s)
Ra(CO3) = +1.000Ra+2 +1.000CO3-2
log_k -8.3 #85LAN/RIE
delta_h 13.39 kJ/mol #
# Enthalpy of formation: -1216.646 kJ/mol
Hausmannite
Mn3O4 = +3.000Mn+2 -8.000H+ -2.000e- +4.000H2O
log_k 61.32 #96FAL/REA
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
SiO2(am)
SiO2 = +1.000H4(SiO4) -2.000H2O
log_k -2.71 #00GUN/ARN
delta_h 13.522 kJ/mol #
# Enthalpy of formation: -903.056 kJ/mol
B(OH)3(cr)
B(OH)3 = +1.000H+ +1.000B(OH)4- -1.000H2O
log_k -9.31 #
delta_h 35.514 kJ/mol #
# Enthalpy of formation: -1094.8 kJ/mol 01LEM/FUG
Th(SO4)2:9H2O(cr)
Th(SO4)2:9H2O = +1.000Th+4 +2.000SO4-2 +9.000H2O
log_k -11.25 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
ThF4(cr)
ThF4 = +1.000Th+4 +4.000F-
log_k -19.11 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
ThO2(cr)
ThO2 = +1.000Th+4 +2.000H2O -4.000H+
log_k 1.77 #
delta_h -113.96 kJ/mol #
# Enthalpy of formation: -1226.4 kJ/mol 09RAN/FUG
ThO2(fresh)
ThO2 = +1.000Th+4 +2.000H2O -4.000H+
log_k 9.3 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
ThO2(coll)
ThO2 = +1.000Th+4 +2.000H2O -4.000H+
log_k 11.1 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
Na6Th(CO3)5:12H2O(cr)
Na6Th(CO3)5:12H2O = +1.000Th+4 +5.000CO3-2 +12.000H2O +6.000Na+
log_k -42.2 #09RAN/FUG
#delta_h kJ/mol #
# Enthalpy of formation: kJ/mol
# PMATCH GASES
H2(g)
H2 = +2.000H+ +2.000e-
log_k 0 #
delta_h 0 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 89COX/WAG
SO2(g)
SO2 = +4.000H+ +2.000e- +1.000SO4-2 -2.000H2O
log_k -5.32 #
delta_h -40.87 kJ/mol #
# Enthalpy of formation: -296.81 kJ/mol 89COX/WAG
Cl2(g)
Cl2 = -2.000e- +2.000Cl-
log_k 45.98 #
delta_h -334.16 kJ/mol #
# Enthalpy of formation: 0 kJ/mol 89COX/WAG
HCl(g)
HCl = +1.000H+ +1.000Cl-
log_k 6.29 #
delta_h -74.77 kJ/mol #
# Enthalpy of formation: -92.31 kJ/mol 89COX/WAG
H2O(g)
H2O = +2.000H+ +2.000e- +0.500O2
log_k -41.49 #
delta_h 235.759 kJ/mol #
# Enthalpy of formation: -241.826 kJ/mol 89COX/WAG
CO(g)
CO = +4.000H+ +2.000e- +1.000CO3-2 -2.000H2O
log_k -14.64 #
delta_h 6.96 kJ/mol #
# Enthalpy of formation: -110.53 kJ/mol 89COX/WAG
CH4(g)
CH4 = +10.000H+ +8.000e- +1.000CO3-2 -3.000H2O
log_k -41.05 #
delta_h 257.133 kJ/mol #
# Enthalpy of formation: -74.873 kJ/mol 98CHA
CO2(g)
CO2 = +2.000H+ +1.000CO3-2 -1.000H2O
log_k -18.15 #
delta_h 4.11 kJ/mol #
# Enthalpy of formation: -393.51 kJ/mol 89COX/WAG
H2S(g)
H2S = +1.000H+ +1.000HS-
log_k -8 #
delta_h 4.3 kJ/mol #
# Enthalpy of formation: -20.6 kJ/mol 89COX/WAG
O2(g)
O2 = +1.000O2
log_k -2.9 #
delta_h -12.134 kJ/mol #
# Enthalpy of formation: 0 kJ/mol
Reference in New Issue View Git Blame Copy Permalink