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/OtherDatabases/thermochemie/Thermochimie_PhreeqC_Davies_electron_v10a.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

17149 lines
633 KiB
Plaintext
Raw Blame History

# PHREEQC database
# Thermodynamic database ThermoChimie (www.thermochimie-tdb.com)
# Version 10a
# Nom : ThermoChimie project
# BDD Date: 11/22/2018
# Comment: no comment
LLNL_AQUEOUS_MODEL_PARAMETERS
-temperatures
0.0000 25.0000 60.0000 100.0000
150.0000 200.0000 250.0000 300.0000
#debye huckel a (adh)
-dh_a
0.4939 0.5114 0.5465 0.5995
0.6855 0.7994 0.9593 1.2180
#debye huckel b (bdh)
-dh_b
0.3253 0.3288 0.3346 0.3421
0.3525 0.3639 0.3766 0.3925
#bdot (bdot)
-bdot
0.0374 0.0410 0.0440 0.0460
0.0470 0.0470 0.0340 0.0000
#cco2 (coefficients for the Drummond (1981) polynomial)
-co2_coefs
-1.0312 0.0012806
255.9 0.4445
-0.00161
# NAMED_EXPRESSIONS
#
# formation of O2 from H2O
# 2H2O = O2 + 4H+ + 4e-
#
# Log_K_O2
# log_k 0.000
# delta_h 0.000 kJ/mol
#
# -analytic
SOLUTION_MASTER_SPECIES
#element species alk gfw_formula element_gfw
E e- 0 0 0
Acetate Acetate- 0 Acetate 59.01
Adipate Adipate-2 0 Adipate 144.07
Ag Ag+ 0 Ag 107.8682
Al Al+3 0 Al 26.9815
Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05
Am Am+3 0 Am 243
Am(+2) Am+2 0 Am 243
Am(+3) Am+3 0 Am 243
Am(+4) Am+4 0 Am 243
Am(+5) AmO2+ 0 Am 243
Am(+6) AmO2+2 0 Am 243
As AsO4-3 0 As 74.9216
As(+3) H3(AsO3) 0 As 74.9216
As(+5) AsO4-3 2 As 74.9216
B B(OH)4- 1 B 10.811
Ba Ba+2 0 Ba 137.327
Br Br- 0 Br 79.904
C CO3-2 2 CO3 12.011
C(+4) CO3-2 2 CO3 12.011
C(-4) CH4 0 CH4 12.011
Ca Ca+2 0 Ca 40.078
Cd Cd+2 0 Cd 112.411
Cit Cit-3 0 Cit 189.1013
Cl Cl- 0 Cl 35.4527
Cm Cm+3 0 Cm 247
Cn Cn- 0 Cn 26.018
Co Co+2 0 Co 58.9332
Cr CrO4-2 0 CrO4 51.9961
Cr(+2) Cr+2 0 Cr 51.9961
Cr(+3) Cr+3 -1 Cr 51.9961
Cr(+6) CrO4-2 1 CrO4 51.9961
Cs Cs+ 0 Cs 132.9054
Cu Cu+2 0 Cu 63.546
Cu(+1) Cu+ 0 Cu 63.546
Cu(+2) Cu+2 0 Cu 63.546
Edta Edta-4 0 Edta 288.2134
Eu Eu+3 0 Eu 151.965
Eu(+2) Eu+2 0 Eu 151.965
Eu(+3) Eu+3 0 Eu 151.965
F F- 0 F 18.9984
Fe Fe+2 0 Fe 55.847
Fe(+2) Fe+2 0 Fe 55.847
Fe(+3) Fe+3 0 Fe 55.847
Glu HGlu- 0 Glu 194.138
H H+ -1 H 1.0079
H(+1) H+ -1 H 1.0079
H(0) H2 0 H 1.0079
Hf Hf+4 -4 Hf 178.49
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 Isa 178.1421
K K+ 0 K 39.0983
Li Li+ 0 Li 6.941
Malonate Malonate-2 0 Malonate 63.99
Mg Mg+2 0 Mg 24.305
Mn Mn+2 0 Mn 54.938
Mo MoO4-2 0 Mo 95.94
N NO3- 0 N 14.0067
N(+5) NO3- 0 N 14.0067
N(-3) NH3 1 N 14.0067
Na Na+ 0 Na 22.9898
Nb Nb(OH)6- 0 Nb 92.9064
Ni Ni+2 0 Ni 58.69
Np NpO2+2 0 Np 237.048
Np(+3) Np+3 0 Np 237.048
Np(+4) Np+4 0 Np 237.048
Np(+5) NpO2+ 0 Np 237.048
Np(+6) NpO2+2 0 Np 237.048
Nta Nta-3 0 Nta 188.1165
O H2O 0 O 15.999
O(0) O2 0 O 15.9994
O(-2) H2O 0 O 15.9994
Ox Ox-2 0 Ox 88.0196
P H2(PO4)- 1 P 30.9738
Pa Pa+4 0 Pa 231.0359
Pa(+4) Pa+4 0 Pa 231.0359
Pa(+5) PaO2+ 0 Pa 231.0359
Pb Pb+2 0 Pb 207.2
Pd Pd+2 -2 Pd 106.42
Phthalat Phthalat-2 0 Phthalat 164.084
Pu PuO2+2 0 Pu 244
Pu(+3) Pu+3 0 Pu 244
Pu(+4) Pu+4 0 Pu 244
Pu(+5) PuO2+ 0 Pu 244
Pu(+6) PuO2+2 0 Pu 244
Pyrophos Pyrophos-4 0 Pyrophos 173.95
Ra Ra+2 0 Ra 226.025
Rb Rb+ 0 Rb 85.4678
S SO4-2 0 SO4 32.066
S(+2) S2O3-2 0 S 32.066
S(+3) S2O4-2 0 S2O4-2 128.128
S(+4) SO3-2 0 S 32.066
S(+6) SO4-2 0 SO4 32.066
S(-2) HS- 1 S 32.066
Sb Sb(OH)3 0 Sb 121.76
Sb(+3) Sb(OH)3 0 Sb 121.76
Sb(+5) Sb(OH)5 0 Sb 121.76
Scn Scn- 0 Scn 58.084
Se SeO4-2 0 Se 78.96
Se(+4) SeO3-2 0 Se 78.96
Se(+6) SeO4-2 0 Se 78.96
Se(-2) HSe- 0 Se 78.96
Si H4(SiO4) 0 Si 28.0855
Sm Sm+3 0 Sm 150.36
Sn Sn+2 -1 Sn 118.71
Sn(+2) Sn+2 -1 Sn 118.71
Sn(+4) Sn+4 -4 Sn 118.71
Sr Sr+2 0 Sr 87.62
Suberate Suberate-2 0 Suberate 170.16
Succinat Succinat-2 0 Succinat 116.07
Tc TcO(OH)2 0 Tc 98
Tc(+4) TcO(OH)2 0 Tc 98
Tc(+6) TcO4-2 0 Tc 98
Tc(+7) TcO4- 0 Tc 98
Th Th+4 -3 Th 232.0381
U UO2+2 0 U 238.0289
U(+3) U+3 0 U 238.0289
U(+4) U+4 0 U 238.0289
U(+5) UO2+ 0 U 238.0289
U(+6) UO2+2 0 U 238.0289
Zn Zn+2 0 Zn 65.39
Zr Zr+4 -4 Zr 91.22
SOLUTION_SPECIES
1.000H2O = H2O
#-llnl_gamma 3.4
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -285.83 #kJ/mol #89COX/WAG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000H+ = H+
#-llnl_gamma 4.1
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000e- = e-
#-llnl_gamma 3.6
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Acetate- = Acetate-
#-llnl_gamma 5.5
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -486.01 #kJ/mol #82WAG/EVA
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Adipate-2 = Adipate-2
#-llnl_gamma 5.5
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Ag+ = Ag+
#-llnl_gamma 4.1
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: 105.79 #kJ/mol #95SIL/BID
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Al+3 = Al+3
#-llnl_gamma 8.2
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -538.4 #kJ/mol #95POK/HEL
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Am+3 = Am+3
#-llnl_gamma 8.2
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -616.7 #kJ/mol #95SIL/BID
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000AsO4-3 = AsO4-3
#-llnl_gamma 6.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -888.14 #kJ/mol #09RAN/FUG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000B(OH)4- = B(OH)4-
#-llnl_gamma 3.6
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -1345.116 #kJ/mol #99RAR/RAN
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Ba+2 = Ba+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -534.8 #kJ/mol #95SIL/BID
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Br- = Br-
#-llnl_gamma 3.6
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -121.41 #kJ/mol #95SIL/BID
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000CO3-2 = CO3-2
#-llnl_gamma 4.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -675.23 #kJ/mol #89COX/WAG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 = Ca+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -543 #kJ/mol #89COX/WAG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 = Cd+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -75.92 #kJ/mol #89COX/WAG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Cit-3 = Cit-3
#-llnl_gamma 5.5
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -1519.92 #kJ/mol #05HUM/AND
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Cl- = Cl-
#-llnl_gamma 3.6
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -167.08 #kJ/mol #89COX/WAG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Cm+3 = Cm+3
#-llnl_gamma 8.2
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -615 #kJ/mol #01KON2
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Cn- = Cn-
#-llnl_gamma 3.6
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: 147.35 #kJ/mol #05OLI/NOL
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Co+2 = Co+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -57.6 #kJ/mol #98PLY/ZHA1
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000CrO4-2 = CrO4-2
#-llnl_gamma 4.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -879 #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Cs+ = Cs+
#-llnl_gamma 4.1
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -258 #kJ/mol #95SIL/BID
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Cu+2 = Cu+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: 64.9 #kJ/mol #92GRE/FUG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Edta-4 = Edta-4
#-llnl_gamma 5.5
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -1704.8 #kJ/mol #05HUM/AND
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 = Eu+3
#-llnl_gamma 8.2
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -605.325 #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000F- = F-
#-llnl_gamma 3.6
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -335.35 #kJ/mol #95SIL/BID
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 = Fe+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -90 #kJ/mol #98CHI
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000H2(PO4)- = H2(PO4)-
#-llnl_gamma 3.6
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -1302.6 #kJ/mol #89COX/WAG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000H4(SiO4) = H4(SiO4)
#-llnl_gamma 3.4
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -1461.194 #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000HGlu- = HGlu-
#-llnl_gamma 5.5
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000HIsa- = HIsa-
#-llnl_gamma 5.5
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Hf+4 = Hf+4
#-llnl_gamma 11.6
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -628.91 #kJ/mol #99VAS/LYT
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Ho+3 = Ho+3
#-llnl_gamma 8.2
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -707.042 #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000I- = I-
#-llnl_gamma 3.6
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -56.78 #kJ/mol #92GRE/FUG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000K+ = K+
#-llnl_gamma 4.1
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -252.14 #kJ/mol #89COX/WAG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Li+ = Li+
#-llnl_gamma 4.1
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -278.47 #kJ/mol #92GRE/FUG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Malonate-2 = Malonate-2
#-llnl_gamma 5.5
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Mg+2 = Mg+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -467 #kJ/mol #89COX/WAG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 = Mn+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -220.8 #kJ/mol #95ROB/HEM
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000MoO4-2 = MoO4-2
#-llnl_gamma 4.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -997 #kJ/mol #74OHA
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000NO3- = NO3-
#-llnl_gamma 3.6
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -206.85 #kJ/mol #92GRE/FUG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Na+ = Na+
#-llnl_gamma 4.1
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -240.34 #kJ/mol #92GRE/FUG (89COX/WAG)
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Nb(OH)6- = Nb(OH)6-
#-llnl_gamma 3.6
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -1925.665 #kJ/mol #97SHO/SAS2
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 = Ni+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -55.012 #kJ/mol #05GAM/BUG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000NpO2+2 = NpO2+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -860.733 #kJ/mol #01LEM/FUG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Nta-3 = Nta-3
#-llnl_gamma 5.5
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Ox-2 = Ox-2
#-llnl_gamma 5.5
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -830.66 #kJ/mol #05HUM/AND
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Pa+4 = Pa+4
#-llnl_gamma 11.6
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -620 #kJ/mol #85BAR/PAR
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Pb+2 = Pb+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: 0.92 #kJ/mol #89COX/WAG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Pd+2 = Pd+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: 189.889 #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Phthalat-2 = Phthalat-2
#-llnl_gamma 5.5
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000PuO2+2 = PuO2+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -822.036 #kJ/mol #01LEM/FUG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Pyrophos-4 = Pyrophos-4
#-llnl_gamma 9.6
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Ra+2 = Ra+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -528.025 #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Rb+ = Rb+
#-llnl_gamma 4.1
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -251.12 #kJ/mol #92GRE/FUG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000SO4-2 = SO4-2
#-llnl_gamma 4.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -909.34 #kJ/mol #89COX/WAG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Sb(OH)3 = Sb(OH)3
#-llnl_gamma 3.4
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -773.893 #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Scn- = Scn-
#-llnl_gamma 3.6
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: 76.4 #kJ/mol #92GRE/FUG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000SeO4-2 = SeO4-2
#-llnl_gamma 4.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -603.5 #kJ/mol #05OLI/NOL
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Sm+3 = Sm+3
#-llnl_gamma 8.2
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -691.198 #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 = Sn+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -9.617 #kJ/mol #12GAM/GAJ
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 = Sr+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -550.9 #kJ/mol #84BUS/PLUS
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Suberate-2 = Suberate-2
#-llnl_gamma 5.5
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Succinat-2 = Succinat-2
#-llnl_gamma 5.5
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000TcO(OH)2 = TcO(OH)2
#-llnl_gamma 3.4
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -749.258 #kJ/mol
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 = Th+4
#-llnl_gamma 11.6
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -768.7 #kJ/mol #09RAN/FUG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 = UO2+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -1019 #kJ/mol #92GRE/FUG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Zn+2 = Zn+2
#-llnl_gamma 5.7
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -153.39 #kJ/mol #92GRE/FUG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Zr+4 = Zr+4
#-llnl_gamma 11.6
log_k 0.000
delta_h 0.000 #kJ/mol
# Enthalpy of formation: -608.5 #kJ/mol #05BRO/CUR
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
1.000Am+3 + 1.000e- = Am+2
#-llnl_gamma 5.7
log_k -38.880 #95SIL/BID
delta_h 262.076 #kJ/mol
# Enthalpy of formation: -354.624 #kJ/mol
-analytic 7.03368E+0 0E+0 -1.36892E+4 0E+0 0E+0
1.000Am+3 - 1.000e- = Am+4
#-llnl_gamma 11.6
log_k -44.210
delta_h 210.700 #kJ/mol
# Enthalpy of formation: -406 #kJ/mol #95SIL/BID
-analytic -7.297E+0 0E+0 -1.10056E+4 0E+0 0E+0
- 4.000H+ + 1.000Am+3 - 2.000e- + 2.000H2O = AmO2+
#-llnl_gamma 4.1
log_k -58.370
delta_h 384.100 #kJ/mol #95SIL/BID
# Enthalpy of formation: -804.26 #kJ/mol
-analytic 8.92133E+0 0E+0 -2.00629E+4 0E+0 0E+0
- 4.000H+ + 1.000Am+3 - 3.000e- + 2.000H2O = AmO2+2
#-llnl_gamma 5.7
log_k -85.350
delta_h 537.600 #kJ/mol #95SIL/BID
# Enthalpy of formation: -650.76 #kJ/mol
-analytic 8.83334E+0 0E+0 -2.80808E+4 0E+0 0E+0
10.000H+ + 8.000e- + 1.000CO3-2 - 3.000H2O = CH4
#-llnl_gamma 3.4
log_k 37.930
delta_h -270.166 #kJ/mol
# Enthalpy of formation: -87.906 #kJ/mol #01SCH/SHO
-analytic -9.40098E+0 0E+0 1.41117E+4 0E+0 0E+0
8.000H+ + 4.000e- + 1.000CrO4-2 - 4.000H2O = Cr+2
#-llnl_gamma 5.7
log_k 67.220 #04CHI
delta_h -421.933 #kJ/mol
# Enthalpy of formation: -157.614 #kJ/mol
-analytic -6.69938E+0 0E+0 2.20391E+4 0E+0 0E+0
8.000H+ + 3.000e- + 1.000CrO4-2 - 4.000H2O = Cr+3
#-llnl_gamma 8.2
log_k 73.620
delta_h -504.820 #kJ/mol
# Enthalpy of formation: -240.5 #kJ/mol #04CHI
-analytic -1.48205E+1 0E+0 2.63685E+4 0E+0 0E+0
1.000Cu+2 + 1.000e- = Cu+
#-llnl_gamma 4.1
log_k 2.640
delta_h 6.770 #kJ/mol
# Enthalpy of formation: 71.67 #kJ/mol #82WAG/EVA
-analytic 3.82605E+0 0E+0 -3.53621E+2 0E+0 0E+0
1.000Eu+3 + 1.000e- = Eu+2
#-llnl_gamma 5.7
log_k -5.970
delta_h 77.723 #kJ/mol
# Enthalpy of formation: -527.602 #kJ/mol #92JOH/OEL
-analytic 7.64647E+0 0E+0 -4.05975E+3 0E+0 0E+0
1.000Fe+2 - 1.000e- = Fe+3
#-llnl_gamma 8.2
log_k -13.010
delta_h 41.000 #kJ/mol
# Enthalpy of formation: -49 #kJ/mol #98CHI
-analytic -5.82712E+0 0E+0 -2.14158E+3 0E+0 0E+0
2.000H+ + 2.000e- = H2
#-llnl_gamma 3.4
log_k -3.080
delta_h -4.200 #kJ/mol
# Enthalpy of formation: -4.2 #kJ/mol #82WAG/EVA
-analytic -3.81581E+0 0E+0 2.19381E+2 0E+0 0E+0
5.000H+ + 2.000e- + 1.000AsO4-3 - 1.000H2O = H3(AsO3)
#-llnl_gamma 3.4
log_k 40.020
delta_h -139.890 #kJ/mol
# Enthalpy of formation: -742.2 #kJ/mol #09RAN/FUG
-analytic 1.55124E+1 0E+0 7.30695E+3 0E+0 0E+0
9.000H+ + 8.000e- + 1.000SO4-2 - 4.000H2O = HS-
#-llnl_gamma 3.6
log_k 33.690
delta_h -250.280 #kJ/mol
# Enthalpy of formation: -16.3 #kJ/mol #89COX/WAG
-analytic -1.01571E+1 0E+0 1.3073E+4 0E+0 0E+0
9.000H+ + 8.000e- + 1.000SeO4-2 - 4.000H2O = HSe-
#-llnl_gamma 3.6
log_k 81.570
delta_h -525.520 #kJ/mol
# Enthalpy of formation: 14.3 #kJ/mol #05OLI/NOL
-analytic -1.0497E+1 0E+0 2.74498E+4 0E+0 0E+0
- 6.000H+ - 6.000e- + 1.000I- + 3.000H2O = IO3-
#-llnl_gamma 3.6
log_k -111.560
delta_h 694.570 #kJ/mol
# Enthalpy of formation: -219.7 #kJ/mol #92GRE/FUG
-analytic 1.01233E+1 0E+0 -3.62799E+4 0E+0 0E+0
9.000H+ + 8.000e- + 1.000NO3- - 3.000H2O = NH3
#-llnl_gamma 3.4
log_k 109.900
delta_h -731.810 #kJ/mol
# Enthalpy of formation: -81.17 #kJ/mol #95SIL/BID
-analytic -1.83074E+1 0E+0 3.8225E+4 0E+0 0E+0
1.000Np+4 + 1.000e- = Np+3
#-llnl_gamma 8.2
log_k 3.590
delta_h 28.838 #kJ/mol
# Enthalpy of formation: -527.184 #kJ/mol #01LEM/FUG
-analytic 8.64219E+0 0E+0 -1.50631E+3 0E+0 0E+0
1.000NpO2+ + 4.000H+ + 1.000e- - 2.000H2O = Np+4
#-llnl_gamma 11.6
log_k 10.320
delta_h -149.501 #kJ/mol
# Enthalpy of formation: -556.022 #kJ/mol #01LEM/FUG
-analytic -1.58714E+1 0E+0 7.80897E+3 0E+0 0E+0
1.000NpO2+2 + 1.000e- = NpO2+
#-llnl_gamma 4.1
log_k 19.590
delta_h -117.448 #kJ/mol
# Enthalpy of formation: -978.181 #kJ/mol #01LEM/FUG
-analytic -9.85976E-1 0E+0 6.13473E+3 0E+0 0E+0
- 4.000H+ - 4.000e- + 2.000H2O = O2
#-llnl_gamma 3.4
log_k -85.990
delta_h 559.526 #kJ/mol
# Enthalpy of formation: -12.134 #kJ/mol #89SHO/HEL (Uncertainty in order to cover available data)
-analytic 1.20346E+1 0E+0 -2.9226E+4 0E+0 0E+0
- 4.000H+ - 1.000e- + 1.000Pa+4 + 2.000H2O = PaO2+
#-llnl_gamma 4.1
log_k 4.220 #85BAR/PAR, 76BAE/MES
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.22E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 + 1.000e- = Pu+3
#-llnl_gamma 8.2
log_k 17.690
delta_h -51.895 #kJ/mol
# Enthalpy of formation: -591.79 #kJ/mol #01LEM/FUG
-analytic 8.5984E+0 0E+0 2.71066E+3 0E+0 0E+0
1.000PuO2+ + 4.000H+ + 1.000e- - 2.000H2O = Pu+4
#-llnl_gamma 11.6
log_k 17.450
delta_h -201.428 #kJ/mol
# Enthalpy of formation: -539.895 #kJ/mol #01LEM/FUG
-analytic -1.78386E+1 0E+0 1.05213E+4 0E+0 0E+0
1.000PuO2+2 + 1.000e- = PuO2+
#-llnl_gamma 4.1
log_k 15.820
delta_h -88.091 #kJ/mol #01LEM/FUG
# Enthalpy of formation: -910.127 #kJ/mol
-analytic 3.87142E-1 0E+0 4.60131E+3 0E+0 0E+0
10.000H+ + 8.000e- + 2.000SO4-2 - 5.000H2O = S2O3-2
#-llnl_gamma 4.7
log_k 38.570
delta_h -262.756 #kJ/mol
# Enthalpy of formation: -652.286 #kJ/mol #04CHI
-analytic -7.46281E+0 0E+0 1.37247E+4 0E+0 0E+0
8.000H+ + 6.000e- + 2.000SO4-2 - 4.000H2O = S2O4-2
#-llnl_gamma 4.7
log_k 10.700
delta_h -78.140 #kJ/mol
# Enthalpy of formation: -753.5 #kJ/mol #82WAG/EVA
-analytic -2.98952E+0 0E+0 4.08153E+3 0E+0 0E+0
2.000H+ + 2.000e- + 1.000SO4-2 - 1.000H2O = SO3-2
#-llnl_gamma 4.7
log_k -3.620
delta_h -7.550 #kJ/mol
# Enthalpy of formation: -631.06 #kJ/mol #85GOL/PAR
-analytic -4.9427E+0 0E+0 3.94363E+2 0E+0 0E+0
- 2.000H+ - 2.000e- + 1.000Sb(OH)3 + 2.000H2O = Sb(OH)5
#-llnl_gamma 3.4
log_k -21.740 #99LOT/OCH recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.174E+1 0E+0 0E+0 0E+0 0E+0
2.000H+ + 2.000e- + 1.000SeO4-2 - 1.000H2O = SeO3-2
#-llnl_gamma 4.7
log_k 28.040 #05OLI/NOL
delta_h -189.490 #kJ/mol
# Enthalpy of formation: -507.16 #kJ/mol #05OLI/NOL
-analytic -5.15717E+0 0E+0 9.89774E+3 0E+0 0E+0
1.000Sn+2 - 2.000e- = Sn+4
#-llnl_gamma 11.6
log_k -12.980 #12GAM/GAJ; Eº=0.384V for Sn2+/Sn4+ reaction ( I=0)
delta_h -21.894 #kJ/mol
# Enthalpy of formation: -31.511 #kJ/mol
-analytic -1.68157E+1 0E+0 1.1436E+3 0E+0 0E+0
1.000TcO(OH)2 - 4.000H+ - 3.000e- + 1.000H2O = TcO4-
#-llnl_gamma 3.6
log_k -29.430
delta_h 305.688 #kJ/mol
# Enthalpy of formation: -729.4 #kJ/mol #99RAR/RAN
-analytic 2.41242E+1 0E+0 -1.59672E+4 0E+0 0E+0
1.000e- + 1.000TcO4- = TcO4-2
#-llnl_gamma 4.7
log_k -10.800 #99RAR/RAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.08E+1 0E+0 0E+0 0E+0 0E+0
1.000U+4 + 1.000e- = U+3
#-llnl_gamma 8.2
log_k -9.350 #92GRE/FUG
delta_h 102.100 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -489.1 #kJ/mol
-analytic 8.53713E+0 0E+0 -5.33305E+3 0E+0 0E+0
1.000UO2+2 + 4.000H+ + 2.000e- - 2.000H2O = U+4
#-llnl_gamma 11.6
log_k 9.040 #92GRE/FUG
delta_h -143.860 #kJ/mol
# Enthalpy of formation: -591.2 #kJ/mol #92GRE/FUG
-analytic -1.61632E+1 0E+0 7.51432E+3 0E+0 0E+0
1.000UO2+2 + 1.000e- = UO2+
#-llnl_gamma 4.1
log_k 1.480
delta_h -6.127 #kJ/mol
# Enthalpy of formation: -1025.127 #kJ/mol
-analytic 4.06597E-1 0E+0 3.20035E+2 0E+0 0E+0
2.000NpO2+2 - 2.000H+ + 2.000H2O = (NpO2)2(OH)2+2
#-llnl_gamma 5.7
log_k -6.270 #01LEM/FUG
delta_h 44.995 #kJ/mol
# Enthalpy of formation: -2248.13 #kJ/mol
-analytic 1.61277E+0 0E+0 -2.35025E+3 0E+0 0E+0
2.000NpO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (NpO2)2CO3(OH)3-
#-llnl_gamma 3.6
log_k -2.870 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.87E+0 0E+0 0E+0 0E+0 0E+0
3.000NpO2+2 + 6.000CO3-2 = (NpO2)3(CO3)6-6
#-llnl_gamma 18.1
log_k 49.840 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.984E+1 0E+0 0E+0 0E+0 0E+0
3.000NpO2+2 - 5.000H+ + 5.000H2O = (NpO2)3(OH)5+
#-llnl_gamma 4.1
log_k -17.120 #01LEM/FUG
delta_h 110.665 #kJ/mol
# Enthalpy of formation: -3900.682 #kJ/mol
-analytic 2.26765E+0 0E+0 -5.78043E+3 0E+0 0E+0
2.000PuO2+2 - 2.000H+ + 2.000H2O = (PuO2)2(OH)2+2
#-llnl_gamma 5.7
log_k -7.500 #01LEM/FUG
delta_h 43.583 #kJ/mol
# Enthalpy of formation: -2172.149 #kJ/mol
-analytic 1.35403E-1 0E+0 -2.2765E+3 0E+0 0E+0
3.000PuO2+2 + 6.000CO3-2 = (PuO2)3(CO3)6-6
#-llnl_gamma 18.1
log_k 46.020 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.602E+1 0E+0 0E+0 0E+0 0E+0
1.000TcO(OH)2 - 1.000H+ + 1.000H2O = (TcO)(OH)3-
#-llnl_gamma 3.6
log_k -10.800
delta_h 39.030 #kJ/mol #97NGU/LAN
# Enthalpy of formation: -996.058 #kJ/mol
-analytic -3.96225E+0 0E+0 -2.03868E+3 0E+0 0E+0
2.000Th+4 - 2.000H+ + 2.000Edta-4 + 2.000H2O = (Th(OH)(Edta))2-2
#-llnl_gamma 5.5
log_k 43.700 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.37E+1 0E+0 0E+0 0E+0 0E+0
2.000U+4 - 2.000H+ + 2.000Edta-4 + 2.000H2O = (U(OH)(Edta))2-2
#-llnl_gamma 5.5
log_k 51.700 #63ERM/KRO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.17E+1 0E+0 0E+0 0E+0 0E+0
11.000UO2+2 - 12.000H+ + 6.000CO3-2 + 12.000H2O = (UO2)11(CO3)6(OH)12-2
#-llnl_gamma 4.7
log_k 36.430 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.643E+1 0E+0 0E+0 0E+0 0E+0
2.000UO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (UO2)2(CO3)(OH)3-
#-llnl_gamma 3.6
log_k -0.860 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -8.6E-1 0E+0 0E+0 0E+0 0E+0
2.000UO2+2 + 2.000Cit-3 = (UO2)2(Cit)2-2
#-llnl_gamma 5.5
log_k 21.300 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.13E+1 0E+0 0E+0 0E+0 0E+0
2.000UO2+2 + 1.000Edta-4 = (UO2)2(Edta)
#-llnl_gamma 5.5
log_k 20.600 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0
2.000UO2+2 + 1.000NpO2+2 + 6.000CO3-2 = (UO2)2(NpO2)(CO3)6-6
#-llnl_gamma 18.1
log_k 53.590 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.359E+1 0E+0 0E+0 0E+0 0E+0
2.000UO2+2 - 1.000H+ + 1.000H2O = (UO2)2(OH)+3
#-llnl_gamma 8.2
log_k -2.700 #92GRE/FUG
delta_h 14.353 #kJ/mol
# Enthalpy of formation: -2309.477 #kJ/mol
-analytic -1.85466E-1 0E+0 -7.49708E+2 0E+0 0E+0
2.000UO2+2 - 2.000H+ + 2.000H2O = (UO2)2(OH)2+2
#-llnl_gamma 5.7
log_k -5.620 #92GRE/FUG
delta_h 37.595 #kJ/mol
# Enthalpy of formation: -2572.065 #kJ/mol
-analytic 9.66352E-1 0E+0 -1.96372E+3 0E+0 0E+0
3.000UO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (UO2)3(CO3)(OH)3+
#-llnl_gamma 4.1
log_k 0.660 #92GRE/FUG
delta_h 81.131 #kJ/mol
# Enthalpy of formation: -4508.589 #kJ/mol
-analytic 1.48735E+1 0E+0 -4.23776E+3 0E+0 0E+0
3.000UO2+2 + 6.000CO3-2 = (UO2)3(CO3)6-6
#-llnl_gamma 18.1
log_k 54.000 #92GRE/FUG
delta_h -62.700 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -7171.08 #kJ/mol
-analytic 4.30154E+1 0E+0 3.27504E+3 0E+0 0E+0
3.000UO2+2 - 4.000H+ + 4.000H2O = (UO2)3(OH)4+2
#-llnl_gamma 5.7
log_k -11.900 #92GRE/FUG
delta_h 84.264 #kJ/mol
# Enthalpy of formation: -4116.056 #kJ/mol
-analytic 2.8624E+0 0E+0 -4.40141E+3 0E+0 0E+0
3.000UO2+2 - 5.000H+ + 5.000H2O = (UO2)3(OH)5+
#-llnl_gamma 4.1
log_k -15.550 #92GRE/FUG
delta_h 97.063 #kJ/mol
# Enthalpy of formation: -4389.086 #kJ/mol
-analytic 1.45468E+0 0E+0 -5.06995E+3 0E+0 0E+0
3.000UO2+2 - 7.000H+ + 7.000H2O = (UO2)3(OH)7-
#-llnl_gamma 3.6
log_k -32.200 #92SAN/BRU
delta_h 227.015 #kJ/mol
# Enthalpy of formation: -4830.794 #kJ/mol
-analytic 7.57126E+0 0E+0 -1.18578E+4 0E+0 0E+0
4.000UO2+2 - 7.000H+ + 7.000H2O = (UO2)4(OH)7+
#-llnl_gamma 4.1
log_k -21.900 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.19E+1 0E+0 0E+0 0E+0 0E+0
1.000Ag+ + 2.000CO3-2 = Ag(CO3)2-3
#-llnl_gamma 6.7
log_k 2.160 #97SVE/SHO
delta_h -28.115 #kJ/mol
# Enthalpy of formation: -1272.786 #kJ/mol
-analytic -2.76553E+0 0E+0 1.46855E+3 0E+0 0E+0
1.000Ag+ + 1.000HS- = Ag(HS)
#-llnl_gamma 3.4
log_k 14.050 #74NAU/RYZ in 91BAL/NOR
delta_h -78.811 #kJ/mol
# Enthalpy of formation: 10.679 #kJ/mol
-analytic 2.42926E-1 0E+0 4.11658E+3 0E+0 0E+0
1.000Ag+ + 2.000HS- = Ag(HS)2-
#-llnl_gamma 3.6
log_k 18.450 #74NAU/RYZ in 91BAL/NOR
delta_h -105.805 #kJ/mol
# Enthalpy of formation: -32.615 #kJ/mol
-analytic -8.62131E-2 0E+0 5.52657E+3 0E+0 0E+0
1.000Ag+ - 1.000H+ + 1.000H2O = Ag(OH)
#-llnl_gamma 3.4
log_k -12.000 #76BAE/MES
delta_h 47.198 #kJ/mol
# Enthalpy of formation: -132.842 #kJ/mol
-analytic -3.73128E+0 0E+0 -2.46532E+3 0E+0 0E+0
1.000Ag+ - 2.000H+ + 2.000H2O = Ag(OH)2-
#-llnl_gamma 3.6
log_k -24.000 #76BAE/MES
delta_h 111.635 #kJ/mol
# Enthalpy of formation: -354.235 #kJ/mol
-analytic -4.44242E+0 0E+0 -5.83109E+3 0E+0 0E+0
1.000Ag+ + 1.000S2O3-2 = Ag(S2O3)-
#-llnl_gamma 3.6
log_k 9.230 #74BEL/MAR in 82HÖG
delta_h -58.994 #kJ/mol #74BEL/MAR in 82HÖG
# Enthalpy of formation: -605.49 #kJ/mol
-analytic -1.10529E+0 0E+0 3.08147E+3 0E+0 0E+0
1.000Ag+ + 2.000S2O3-2 = Ag(S2O3)2-3
#-llnl_gamma 6.7
log_k 13.640 #72POU/RIG in 82HÖG
delta_h -86.918 #kJ/mol
# Enthalpy of formation: -1285.7 #kJ/mol #82WAG/EVA
-analytic -1.58736E+0 0E+0 4.54004E+3 0E+0 0E+0
1.000Ag+ + 1.000SO3-2 = Ag(SO3)-
#-llnl_gamma 3.6
log_k 5.430
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.43E+0 0E+0 0E+0 0E+0 0E+0
1.000Ag+ + 1.000SO4-2 = Ag(SO4)-
#-llnl_gamma 3.6
log_k 1.380
delta_h 4.645 #kJ/mol
# Enthalpy of formation: -798.904 #kJ/mol
-analytic 2.19377E+0 0E+0 -2.42625E+2 0E+0 0E+0
1.000Ag+ - 3.000H+ - 6.000e- + 3.000Cn- + 3.000HSe- = Ag(SeCn)3-2
#-llnl_gamma 4.7
log_k 52.930
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.293E+1 0E+0 0E+0 0E+0 0E+0
1.000Ag+ + 1.000SeO3-2 = Ag(SeO3)-
#-llnl_gamma 3.6
log_k 3.200 #Data from 68MEH and 69MEH/GUB in 05OLI/NOL corrected to I=0 by DH
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.2E+0 0E+0 0E+0 0E+0 0E+0
1.000Ag+ + 1.000Br- = AgBr
#-llnl_gamma 3.4
log_k 4.240 #91BAL/NOR, 68WAG
delta_h -23.129 #kJ/mol
# Enthalpy of formation: -38.748 #kJ/mol
-analytic 1.87979E-1 0E+0 1.20811E+3 0E+0 0E+0
1.000Ag+ + 2.000Br- = AgBr2-
#-llnl_gamma 3.6
log_k 7.280 #91BAL/NOR, 68WAG
delta_h -45.296 #kJ/mol
# Enthalpy of formation: -182.325 #kJ/mol
-analytic -6.55507E-1 0E+0 2.36597E+3 0E+0 0E+0
1.000Ag+ + 3.000Br- = AgBr3-2
#-llnl_gamma 4.7
log_k 8.710 #91BAL/NOR, 68WAG
delta_h -66.741 #kJ/mol
# Enthalpy of formation: -325.18 #kJ/mol
-analytic -2.9825E+0 0E+0 3.48612E+3 0E+0 0E+0
1.000Ag+ + 1.000CO3-2 = AgCO3-
#-llnl_gamma 3.6
log_k 2.690 #97SVE/SHO
delta_h -22.838 #kJ/mol
# Enthalpy of formation: -592.278 #kJ/mol
-analytic -1.31104E+0 0E+0 1.19291E+3 0E+0 0E+0
1.000Ag+ + 1.000Cl- = AgCl
#-llnl_gamma 3.4
log_k 3.270 #91BAL/NOR
delta_h -17.100 #kJ/mol
# Enthalpy of formation: -78.39 #kJ/mol
-analytic 2.74213E-1 0E+0 8.93194E+2 0E+0 0E+0
1.000Ag+ + 2.000Cl- = AgCl2-
#-llnl_gamma 3.6
log_k 5.270 #91BAL/NOR
delta_h -28.754 #kJ/mol
# Enthalpy of formation: -257.124 #kJ/mol
-analytic 2.32523E-1 0E+0 1.50192E+3 0E+0 0E+0
1.000Ag+ + 3.000Cl- = AgCl3-2
#-llnl_gamma 4.7
log_k 5.290 #91BAL/NOR
delta_h -29.167 #kJ/mol
# Enthalpy of formation: -424.616 #kJ/mol
-analytic 1.80168E-1 0E+0 1.5235E+3 0E+0 0E+0
1.000Ag+ + 4.000Cl- = AgCl4-3
#-llnl_gamma 6.7
log_k 5.510 #91BAL/NOR
delta_h -26.099 #kJ/mol
# Enthalpy of formation: -588.628 #kJ/mol
-analytic 9.37658E-1 0E+0 1.36324E+3 0E+0 0E+0
1.000Ag+ + 1.000I- = AgI
#-llnl_gamma 3.4
log_k 6.580 #76SMI/MAR
delta_h -36.962 #kJ/mol
# Enthalpy of formation: 12.048 #kJ/mol
-analytic 1.04545E-1 0E+0 1.93066E+3 0E+0 0E+0
1.000Ag+ + 2.000I- = AgI2-
#-llnl_gamma 3.6
log_k 11.700 #76SMI/MAR
delta_h -76.578 #kJ/mol
# Enthalpy of formation: -84.347 #kJ/mol
-analytic -1.71587E+0 0E+0 3.99994E+3 0E+0 0E+0
1.000Ag+ + 3.000I- = AgI3-2
#-llnl_gamma 4.7
log_k 13.280
delta_h -114.914 #kJ/mol
# Enthalpy of formation: -179.463 #kJ/mol
-analytic -6.85204E+0 0E+0 6.00237E+3 0E+0 0E+0
1.000Ag+ + 1.000NO3- = AgNO3
#-llnl_gamma 3.4
log_k -0.290 #91BAL/NOR, 68WAG
delta_h -0.740 #kJ/mol
# Enthalpy of formation: -101.8 #kJ/mol #82WAG/EVA
-analytic -4.19642E-1 0E+0 3.86528E+1 0E+0 0E+0
1.000Al+3 + 1.000Cit-3 = Al(Cit)
#-llnl_gamma 5.5
log_k 9.900 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.9E+0 0E+0 0E+0 0E+0 0E+0
1.000Al+3 - 1.000H+ + 2.000Cit-3 + 1.000H2O = Al(Cit)2(OH)-4
#-llnl_gamma 5.5
log_k 10.190 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.019E+1 0E+0 0E+0 0E+0 0E+0
1.000Al+3 + 2.000Cit-3 = Al(Cit)2-3
#-llnl_gamma 5.5
log_k 14.130 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.413E+1 0E+0 0E+0 0E+0 0E+0
1.000Al+3 + 1.000Edta-4 = Al(Edta)-
#-llnl_gamma 5.5
log_k 19.080 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.908E+1 0E+0 0E+0 0E+0 0E+0
1.000Al+3 + 1.000H+ + 1.000Cit-3 = Al(HCit)+
#-llnl_gamma 5.5
log_k 12.900 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0
1.000Al+3 + 1.000H+ + 1.000Edta-4 = Al(HEdta)
#-llnl_gamma 5.5
log_k 21.820 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.182E+1 0E+0 0E+0 0E+0 0E+0
1.000Al+3 + 1.000H+ + 1.000Nta-3 = Al(HNta)+
#-llnl_gamma 5.5
log_k 15.130 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.513E+1 0E+0 0E+0 0E+0 0E+0
1.000Al+3 + 1.000H+ + 1.000Ox-2 = Al(HOx)+2
#-llnl_gamma 5.5
log_k 7.500 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0
1.000Al+3 + 1.000IO3- = Al(IO3)+2
#-llnl_gamma 5.7
log_k 2.460 #estimation NEA87 08/2/95
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.46E+0 0E+0 0E+0 0E+0 0E+0
1.000Al+3 + 2.000IO3- = Al(IO3)2+
#-llnl_gamma 4.1
log_k 4.300 #estimation NEA87 08/2/95
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.3E+0 0E+0 0E+0 0E+0 0E+0
1.000Al+3 + 1.000Nta-3 = Al(Nta)
#-llnl_gamma 5.5
log_k 13.230 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.323E+1 0E+0 0E+0 0E+0 0E+0
1.000Al+3 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Al(Nta)(OH)2-2
#-llnl_gamma 5.5
log_k -0.300 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3E-1 0E+0 0E+0 0E+0 0E+0
1.000Al+3 + 2.000Nta-3 = Al(Nta)2-3
#-llnl_gamma 5.5
log_k 20.800 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.08E+1 0E+0 0E+0 0E+0 0E+0
1.000Al+3 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Al(OH)(Cit)-
#-llnl_gamma 5.5
log_k 8.100 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.1E+0 0E+0 0E+0 0E+0 0E+0
1.000Al+3 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Al(OH)(Edta)-2
#-llnl_gamma 5.5
log_k 13.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0
1.000Al+3 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Al(OH)(Nta)-
#-llnl_gamma 5.5
log_k 6.790 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0
1.000Al+3 - 1.000H+ + 1.000H2O = Al(OH)+2
#-llnl_gamma 5.7
log_k -4.950 #95POK/HEL
delta_h 49.759 #kJ/mol
# Enthalpy of formation: -774.471 #kJ/mol
-analytic 3.76739E+0 0E+0 -2.59909E+3 0E+0 0E+0
1.000Al+3 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Al(OH)2(Edta)-3
#-llnl_gamma 5.5
log_k 2.300 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0
1.000Al+3 - 2.000H+ + 2.000H2O = Al(OH)2+
#-llnl_gamma 4.1
log_k -10.580
delta_h 98.264 #kJ/mol
# Enthalpy of formation: -1011.796 #kJ/mol #95POK/HEL
-analytic 6.63509E+0 0E+0 -5.13268E+3 0E+0 0E+0
1.000Al+3 - 2.000H+ + 1.000F- + 2.000H2O = Al(OH)2F
#-llnl_gamma 3.4
log_k -4.210
delta_h 118.636 #kJ/mol
# Enthalpy of formation: -1326.774 #kJ/mol #01TAG/SCH
-analytic 1.65741E+1 0E+0 -6.19678E+3 0E+0 0E+0
1.000Al+3 - 2.000H+ + 2.000F- + 2.000H2O = Al(OH)2F2-
#-llnl_gamma 3.6
log_k -1.990
delta_h 134.839 #kJ/mol
# Enthalpy of formation: -1645.921 #kJ/mol #01TAG/SCH
-analytic 2.16327E+1 0E+0 -7.04312E+3 0E+0 0E+0
1.000Al+3 - 3.000H+ + 3.000H2O = Al(OH)3
#-llnl_gamma 3.4
log_k -16.420
delta_h 144.686 #kJ/mol
# Enthalpy of formation: -1251.204 #kJ/mol #95POK/HEL
-analytic 8.92786E+0 0E+0 -7.55747E+3 0E+0 0E+0
1.000Al+3 - 4.000H+ + 4.000H2O = Al(OH)4-
#-llnl_gamma 3.6
log_k -22.870
delta_h 180.881 #kJ/mol
# Enthalpy of formation: -1500.839 #kJ/mol #95POK/HEL
-analytic 8.81894E+0 0E+0 -9.44806E+3 0E+0 0E+0
1.000Al+3 + 1.000Ox-2 = Al(Ox)+
#-llnl_gamma 5.5
log_k 9.400 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.4E+0 0E+0 0E+0 0E+0 0E+0
1.000Al+3 + 2.000Ox-2 = Al(Ox)2-
#-llnl_gamma 5.5
log_k 15.390 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.539E+1 0E+0 0E+0 0E+0 0E+0
1.000Al+3 + 3.000Ox-2 = Al(Ox)3-3
#-llnl_gamma 5.5
log_k 18.300 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0
1.000Al+3 + 1.000SO4-2 = Al(SO4)+
#-llnl_gamma 4.1
log_k 3.170 #01TAG/SCH
delta_h 18.869 #kJ/mol
# Enthalpy of formation: -1428.87 #kJ/mol
-analytic 6.4757E+0 0E+0 -9.85595E+2 0E+0 0E+0
2.000Al+3 - 2.000H+ + 4.000Ox-2 + 2.000H2O = Al2(Ox)4(OH)2-4
#-llnl_gamma 5.5
log_k 22.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.2E+1 0E+0 0E+0 0E+0 0E+0
3.000Al+3 - 4.000H+ + 3.000Cit-3 + 4.000H2O = Al3(Cit)3(OH)4-4
#-llnl_gamma 5.5
log_k 20.600 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0
3.000Al+3 - 3.000H+ + 3.000Ox-2 + 3.000H2O = Al3(Ox)3(OH)3
#-llnl_gamma 5.5
log_k 16.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0
4.000Al+3 - 4.000H+ + 4.000Ox-2 + 4.000H2O = Al4(Ox)4(OH)4
#-llnl_gamma 5.5
log_k 21.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.1E+1 0E+0 0E+0 0E+0 0E+0
1.000Al+3 + 1.000F- = AlF+2
#-llnl_gamma 5.7
log_k 6.980 #01TAG/SCH
delta_h -0.345 #kJ/mol
# Enthalpy of formation: -874.094 #kJ/mol
-analytic 6.91956E+0 0E+0 1.80206E+1 0E+0 0E+0
1.000Al+3 + 2.000F- = AlF2+
#-llnl_gamma 4.1
log_k 12.500 #01TAG/SCH
delta_h 74.869 #kJ/mol
# Enthalpy of formation: -1134.23 #kJ/mol
-analytic 2.56165E+1 0E+0 -3.91067E+3 0E+0 0E+0
1.000Al+3 + 3.000F- = AlF3
#-llnl_gamma 3.4
log_k 16.550 #01TAG/SCH
delta_h 0.616 #kJ/mol
# Enthalpy of formation: -1543.833 #kJ/mol
-analytic 1.66579E+1 0E+0 -3.21759E+1 0E+0 0E+0
1.000Al+3 + 4.000F- = AlF4-
#-llnl_gamma 3.6
log_k 18.930 #01TAG/SCH
delta_h 0.824 #kJ/mol
# Enthalpy of formation: -1878.974 #kJ/mol
-analytic 1.90744E+1 0E+0 -4.30405E+1 0E+0 0E+0
1.000Al+3 - 1.000H+ + 1.000H4(SiO4) = AlH3SiO4+2
#-llnl_gamma 5.7
log_k -2.380 #01TAG/SCH
delta_h 77.382 #kJ/mol
# Enthalpy of formation: -1922.212 #kJ/mol
-analytic 1.11767E+1 0E+0 -4.04194E+3 0E+0 0E+0
1.000Al+3 - 1.000H+ + 2.000F- + 1.000H2O = AlOHF2
#-llnl_gamma 3.4
log_k 0.210
delta_h 139.337 #kJ/mol
# Enthalpy of formation: -1355.593 #kJ/mol #01TAG/SCH
-analytic 2.46208E+1 0E+0 -7.27807E+3 0E+0 0E+0
1.000Am+3 + 1.000Acetate- = Am(Acetate)+2
#-llnl_gamma 5.5
log_k 2.940 #11RIC/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.94E+0 0E+0 0E+0 0E+0 0E+0
1.000Am+3 + 2.000Acetate- = Am(Acetate)2+
#-llnl_gamma 5.5
log_k 5.070 #69MOS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.07E+0 0E+0 0E+0 0E+0 0E+0
1.000Am+3 + 3.000Acetate- = Am(Acetate)3
#-llnl_gamma 5.5
log_k 6.540 #69MOS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.54E+0 0E+0 0E+0 0E+0 0E+0
1.000Am+3 + 1.000CO3-2 = Am(CO3)+
#-llnl_gamma 4.1
log_k 7.900 #recalculated from 03GUI/FAN
delta_h 158.156 #kJ/mol
# Enthalpy of formation: -1133.775 #kJ/mol
-analytic 3.56077E+1 0E+0 -8.26105E+3 0E+0 0E+0
1.000Am+3 + 2.000CO3-2 = Am(CO3)2-
#-llnl_gamma 3.6
log_k 12.600 #recalculated from 03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0
1.000Am+3 + 3.000CO3-2 = Am(CO3)3-3
#-llnl_gamma 6.7
log_k 14.600 #Recalculated from 03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0
1.000Am+3 - 1.000e- + 5.000CO3-2 = Am(CO3)5-6
#-llnl_gamma 18.1
log_k -5.100 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.1E+0 0E+0 0E+0 0E+0 0E+0
1.000Am+3 + 1.000Cit-3 = Am(Cit)
#-llnl_gamma 5.5
log_k 8.550 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.55E+0 0E+0 0E+0 0E+0 0E+0
1.000Am+3 + 2.000Cit-3 = Am(Cit)2-3
#-llnl_gamma 5.5
log_k 13.900 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0
1.000Am+3 + 1.000Edta-4 = Am(Edta)-
#-llnl_gamma 5.5
log_k 19.670 #05HUM/AND
delta_h -10.600 #kJ/mol #05HUM/AND
# Enthalpy of formation: -2332.1 #kJ/mol
-analytic 1.7813E+1 0E+0 5.53676E+2 0E+0 0E+0
1.000Am+3 + 1.000H2(PO4)- = Am(H2PO4)+2
#-llnl_gamma 5.7
log_k 3.000 #95SIL/BID
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3E+0 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000Am+3 + 1.000CO3-2 = Am(HCO3)+2
#-llnl_gamma 5.7
log_k 13.430 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.343E+1 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000Am+3 + 1.000Cit-3 = Am(HCit)+
#-llnl_gamma 5.5
log_k 12.860 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.286E+1 0E+0 0E+0 0E+0 0E+0
2.000H+ + 1.000Am+3 + 2.000Cit-3 = Am(HCit)2-
#-llnl_gamma 5.5
log_k 23.520 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.352E+1 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000Am+3 + 1.000Edta-4 = Am(HEdta)
#-llnl_gamma 5.5
log_k 21.840 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.184E+1 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000Am+3 + 1.000H2(PO4)- = Am(HPO4)+
#-llnl_gamma 4.1
log_k -1.740 #ANDRA report (C RP 0ENQ 02-001, Estimations from lanthanides)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.74E+0 0E+0 0E+0 0E+0 0E+0
- 2.000H+ + 1.000Am+3 + 2.000H2(PO4)- = Am(HPO4)2-
#-llnl_gamma 3.6
log_k -5.310 #ANDRA report (C RP 0ENQ 02-001, Estimations from lanthanides)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.31E+0 0E+0 0E+0 0E+0 0E+0
1.000Am+3 + 1.000NO3- = Am(NO3)+2
#-llnl_gamma 5.7
log_k 1.330 #95SIL/BID
delta_h 1.800 #kJ/mol #09SKE/PAN
# Enthalpy of formation: -821.75 #kJ/mol
-analytic 1.64535E+0 0E+0 -9.40204E+1 0E+0 0E+0
1.000Am+3 + 1.000Nta-3 = Am(Nta)
#-llnl_gamma 5.5
log_k 13.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0
1.000Am+3 + 2.000Nta-3 = Am(Nta)2-3
#-llnl_gamma 5.5
log_k 22.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.2E+1 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000Am+3 + 1.000H2O = Am(OH)+2
#-llnl_gamma 5.7
log_k -7.200 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
delta_h 78.411 #kJ/mol
# Enthalpy of formation: -824.119 #kJ/mol
-analytic 6.537E+0 0E+0 -4.09569E+3 0E+0 0E+0
- 2.000H+ + 1.000Am+3 + 2.000H2O = Am(OH)2+
#-llnl_gamma 4.1
log_k -15.100 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
delta_h 143.704 #kJ/mol
# Enthalpy of formation: -1044.656 #kJ/mol
-analytic 1.00758E+1 0E+0 -7.50617E+3 0E+0 0E+0
- 3.000H+ + 1.000Am+3 + 3.000H2O = Am(OH)3
#-llnl_gamma 3.4
log_k -26.200 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
delta_h 230.125 #kJ/mol
# Enthalpy of formation: -1244.065 #kJ/mol
-analytic 1.41161E+1 0E+0 -1.20202E+4 0E+0 0E+0
- 3.000H+ + 1.000Am+3 + 1.000HGlu- + 3.000H2O = Am(OH)3(HGlu)-
#-llnl_gamma 5.5
log_k -19.700 #05TIT/WIE
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.97E+1 0E+0 0E+0 0E+0 0E+0
- 3.000H+ + 1.000Am+3 + 1.000HIsa- + 3.000H2O = Am(OH)3(HIsa)-
#-llnl_gamma 5.5
log_k -21.500 #05TIT/WIE
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.15E+1 0E+0 0E+0 0E+0 0E+0
- 4.000H+ + 1.000Am+3 + 4.000H2O = Am(OH)4-
#-llnl_gamma 3.6
log_k -40.700 #07NEC/ALT2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.07E+1 0E+0 0E+0 0E+0 0E+0
1.000Am+3 + 1.000Ox-2 = Am(Ox)+
#-llnl_gamma 5.5
log_k 6.510 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.51E+0 0E+0 0E+0 0E+0 0E+0
1.000Am+3 + 2.000Ox-2 = Am(Ox)2-
#-llnl_gamma 5.5
log_k 10.710 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.071E+1 0E+0 0E+0 0E+0 0E+0
1.000Am+3 + 3.000Ox-2 = Am(Ox)3-3
#-llnl_gamma 5.5
log_k 13.000 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0
- 4.000H+ + 1.000Am+3 + 2.000H2(PO4)- = Am(PO4)2-3
#-llnl_gamma 6.7
log_k -19.430 #ANDRA report (C RP 0ENQ 02-001, Estimations from lanthanides)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.943E+1 0E+0 0E+0 0E+0 0E+0
1.000Am+3 + 1.000Phthalat-2 = Am(Phthalat)+
#-llnl_gamma 5.5
log_k 4.930 #In analogy with Cm
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.93E+0 0E+0 0E+0 0E+0 0E+0
1.000Am+3 + 1.000SO4-2 = Am(SO4)+
#-llnl_gamma 4.1
log_k 3.450 #12GRI/GAR1
delta_h 15.493 #kJ/mol
# Enthalpy of formation: -1510.547 #kJ/mol #Estimated by analogy to Ln (III)
-analytic 6.16425E+0 0E+0 -8.09255E+2 0E+0 0E+0
1.000Am+3 + 2.000SO4-2 = Am(SO4)2-
#-llnl_gamma 3.6
log_k 4.570 #12GRI/GAR1
delta_h 20.927 #kJ/mol
# Enthalpy of formation: -2414.453 #kJ/mol #Estimated by analogy to Ln (III)
-analytic 8.23625E+0 0E+0 -1.09309E+3 0E+0 0E+0
1.000Am+3 + 1.000Cl- = AmCl+2
#-llnl_gamma 5.7
log_k 0.240 #97KÖN/FAN
delta_h 25.106 #kJ/mol
# Enthalpy of formation: -758.674 #kJ/mol
-analytic 4.63838E+0 0E+0 -1.31138E+3 0E+0 0E+0
1.000Am+3 + 2.000Cl- = AmCl2+
#-llnl_gamma 4.1
log_k -0.740 #97KÖN/FAN
delta_h 40.568 #kJ/mol
# Enthalpy of formation: -910.291 #kJ/mol
-analytic 6.3672E+0 0E+0 -2.11901E+3 0E+0 0E+0
1.000Am+3 + 1.000F- = AmF+2
#-llnl_gamma 5.7
log_k 3.400 #03GUI/FAN
delta_h 27.134 #kJ/mol
# Enthalpy of formation: -924.916 #kJ/mol
-analytic 8.15367E+0 0E+0 -1.41731E+3 0E+0 0E+0
1.000Am+3 + 2.000F- = AmF2+
#-llnl_gamma 4.1
log_k 5.800 #95SIL/BID
delta_h 22.320 #kJ/mol
# Enthalpy of formation: -1265.08 #kJ/mol
-analytic 9.71029E+0 0E+0 -1.16585E+3 0E+0 0E+0
1.000Am+3 + 3.000F- = AmF3
#-llnl_gamma 3.4
log_k 10.820 #69AZI/LYL
delta_h -12.119 #kJ/mol
# Enthalpy of formation: -1634.868 #kJ/mol
-analytic 8.69685E+0 0E+0 6.33019E+2 0E+0 0E+0
1.000AmO2+ + 1.000CO3-2 = AmO2(CO3)-
#-llnl_gamma 3.6
log_k 5.100 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.1E+0 0E+0 0E+0 0E+0 0E+0
1.000AmO2+ + 2.000CO3-2 = AmO2(CO3)2-3
#-llnl_gamma 6.7
log_k 6.700 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.7E+0 0E+0 0E+0 0E+0 0E+0
1.000AmO2+ + 3.000CO3-2 = AmO2(CO3)3-5
#-llnl_gamma 13.4
log_k 5.100 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.1E+0 0E+0 0E+0 0E+0 0E+0
- 2.000H+ + 1.000AmO2+ + 2.000H2O = AmO2(OH)2-
#-llnl_gamma 3.6
log_k -23.600 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.36E+1 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000AmO2+ + 1.000H2O = AmO2OH
#-llnl_gamma 3.4
log_k -11.300 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.13E+1 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000Am+3 + 1.000H4(SiO4) = AmOSi(OH)3+2
#-llnl_gamma 5.7
log_k -2.310 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.31E+0 0E+0 0E+0 0E+0 0E+0
- 2.000H+ + 1.000Am+3 + 1.000H2(PO4)- = AmPO4
#-llnl_gamma 3.4
log_k -7.760 #ANDRA report (C RP 0ENQ 02-001, Estimations from lanthanides)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -7.76E+0 0E+0 0E+0 0E+0 0E+0
- 3.000H+ + 1.000H3(AsO3) = AsO3-3
#-llnl_gamma 6.7
log_k -38.590 #79IVA/VOR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.859E+1 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000B(OH)4- - 1.000H2O = B(OH)3
#-llnl_gamma 3.4
log_k 9.240
delta_h -13.514 #kJ/mol
# Enthalpy of formation: -1072.8 #kJ/mol #01LEM/FUG
-analytic 6.87245E+0 0E+0 7.05884E+2 0E+0 0E+0
2.000H+ + 3.000B(OH)4- - 7.000H2O = B3O5-
#-llnl_gamma 3.6
log_k 20.900 #97CRO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.09E+1 0E+0 0E+0 0E+0 0E+0
2.000H+ + 4.000B(OH)4- - 9.000H2O = B4O7-2
#-llnl_gamma 4.7
log_k 21.900 #97CRO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.19E+1 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000F- + 1.000B(OH)4- - 1.000H2O = BF(OH)3-
#-llnl_gamma 3.6
log_k 8.940 #77NOR/JEN
delta_h -39.078 #kJ/mol #77NOR/JEN
# Enthalpy of formation: -1433.714 #kJ/mol
-analytic 2.09384E+0 0E+0 2.04118E+3 0E+0 0E+0
2.000H+ + 2.000F- + 1.000B(OH)4- - 2.000H2O = BF2(OH)2-
#-llnl_gamma 3.6
log_k 16.970 #77NOR/JEN
delta_h -38.702 #kJ/mol #77NOR/JEN
# Enthalpy of formation: -1482.858 #kJ/mol
-analytic 1.01897E+1 0E+0 2.02154E+3 0E+0 0E+0
3.000H+ + 3.000F- + 1.000B(OH)4- - 3.000H2O = BF3(OH)-
#-llnl_gamma 3.6
log_k 23.010 #77NOR/JEN
delta_h -38.326 #kJ/mol #77NOR/JEN
# Enthalpy of formation: -1532.002 #kJ/mol
-analytic 1.62956E+1 0E+0 2.0019E+3 0E+0 0E+0
4.000H+ + 4.000F- + 1.000B(OH)4- - 4.000H2O = BF4-
#-llnl_gamma 3.6
log_k 29.620 #77NOR/JEN
delta_h 73.680 #kJ/mol #77NOR/JEN
# Enthalpy of formation: -1469.516 #kJ/mol
-analytic 4.25282E+1 0E+0 -3.84857E+3 0E+0 0E+0
1.000Ba+2 + 1.000CO3-2 = Ba(CO3)
#-llnl_gamma 3.4
log_k 2.710 #86BUS/PLU
delta_h 14.841 #kJ/mol #86BUS/PLU
# Enthalpy of formation: -1195.189 #kJ/mol
-analytic 5.31003E+0 0E+0 -7.75198E+2 0E+0 0E+0
1.000Ba+2 + 1.000H+ + 1.000CO3-2 = Ba(HCO3)+
#-llnl_gamma 4.1
log_k 11.310 #86BUS/PLU
delta_h 8.560 #kJ/mol #86BUS/PLU
# Enthalpy of formation: -1201.47 #kJ/mol
-analytic 1.28096E+1 0E+0 -4.47119E+2 0E+0 0E+0
1.000Ba+2 + 1.000NO3- = Ba(NO3)+
#-llnl_gamma 4.1
log_k -0.310
delta_h 6.819 #kJ/mol
# Enthalpy of formation: -734.831 #kJ/mol
-analytic 8.84636E-1 0E+0 -3.56181E+2 0E+0 0E+0
1.000Ba+2 - 1.000H+ + 1.000H2O = Ba(OH)+
#-llnl_gamma 4.1
log_k -13.470 #76BAE/MES
delta_h 87.397 #kJ/mol
# Enthalpy of formation: -733.233 #kJ/mol
-analytic 1.84127E+0 0E+0 -4.56506E+3 0E+0 0E+0
1.000Ba+2 + 1.000SO4-2 = Ba(SO4)
#-llnl_gamma 3.4
log_k 2.700 #76SMI/MAR
delta_h 7.367 #kJ/mol
# Enthalpy of formation: -1436.772 #kJ/mol
-analytic 3.99064E+0 0E+0 -3.84805E+2 0E+0 0E+0
1.000Ba+2 + 1.000B(OH)4- = BaB(OH)4+
#-llnl_gamma 4.1
log_k 1.490 #80BAS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.49E+0 0E+0 0E+0 0E+0 0E+0
1.000Ba+2 + 1.000Cl- = BaCl+
#-llnl_gamma 4.1
log_k 0.060
delta_h 11.481 #kJ/mol
# Enthalpy of formation: -690.399 #kJ/mol #97SVE/SHO
-analytic 2.07138E+0 0E+0 -5.99694E+2 0E+0 0E+0
1.000Ba+2 + 1.000F- = BaF+
#-llnl_gamma 4.1
log_k 0.400
delta_h 6.698 #kJ/mol
# Enthalpy of formation: -863.452 #kJ/mol #97SVE/SHO
-analytic 1.57344E+0 0E+0 -3.4986E+2 0E+0 0E+0
4.000H+ + 2.000e- + 1.000CO3-2 - 2.000H2O = CO
#-llnl_gamma 3.4
log_k 11.600
delta_h -17.390 #kJ/mol
# Enthalpy of formation: -120.96 #kJ/mol #82WAG/EVA
-analytic 8.55341E+0 0E+0 9.08342E+2 0E+0 0E+0
2.000H+ + 1.000CO3-2 - 1.000H2O = CO2
#-llnl_gamma 3.4
log_k 16.680
delta_h -23.860 #kJ/mol
# Enthalpy of formation: -413.26 #kJ/mol #89COX/WAG
-analytic 1.24999E+1 0E+0 1.24629E+3 0E+0 0E+0
1.000Ca+2 + 1.000Acetate- = Ca(Acetate)+
#-llnl_gamma 5.5
log_k 1.120 #95DER/DIG
delta_h 0.143 #kJ/mol
# Enthalpy of formation: -1028.867 #kJ/mol
-analytic 1.14505E+0 0E+0 -7.4694E+0 0E+0 0E+0
1.000Ca+2 + 1.000Adipate-2 = Ca(Adipate)
#-llnl_gamma 5.5
log_k 2.190 #04MAR/SMI from 40TOP/DAV
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.19E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 - 3.000H+ + 1.000Am+3 + 3.000H2O = Ca(Am(OH)3)+2
#-llnl_gamma 5.7
log_k -26.300 #07RAB/ALT
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000AsO4-3 = Ca(AsO4)-
#-llnl_gamma 3.6
log_k 5.770 #10MAR/ACC
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.77E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000Cit-3 = Ca(Cit)-
#-llnl_gamma 5.5
log_k 4.800 #05HUM/AND
# delta_h 0.000 #kJ/mol #05HUM/AND
# Enthalpy of formation: -2062.92 #kJ/mol
-analytic 4.8E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 - 3.000H+ + 1.000Cm+3 + 3.000H2O = Ca(Cm(OH)3)+2
#-llnl_gamma 5.7
log_k -26.300 #07RAB/ALT
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000Edta-4 = Ca(Edta)-2
#-llnl_gamma 5.5
log_k 12.690 #05HUM/AND
delta_h -22.200 #kJ/mol #05HUM/AND
# Enthalpy of formation: -2270 #kJ/mol
-analytic 8.80073E+0 0E+0 1.15959E+3 0E+0 0E+0
1.000Ca+2 + 1.000Eu+3 - 3.000H+ + 3.000H2O = Ca(Eu(OH)3)+2
#-llnl_gamma 5.7
log_k -26.300 #07RAB/ALT
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 2.000H+ + 1.000AsO4-3 = Ca(H2AsO4)+
#-llnl_gamma 4.1
log_k 19.870 #10MAR/ACC
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.987E+1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 2.000H+ + 1.000Cit-3 = Ca(H2Cit)+
#-llnl_gamma 5.5
log_k 12.670 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.267E+1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000H2(PO4)- = Ca(H2PO4)+
#-llnl_gamma 4.1
log_k 1.410 #68CHU/MAR
delta_h 14.226 #kJ/mol #68CHU/MAR
# Enthalpy of formation: -1831.374 #kJ/mol
-analytic 3.90228E+0 0E+0 -7.43075E+2 0E+0 0E+0
1.000Ca+2 - 1.000H+ + 1.000H4(SiO4) = Ca(H3SiO4)+
#-llnl_gamma 4.1
log_k -8.830 #97SVE/SHO
delta_h 31.633 #kJ/mol
# Enthalpy of formation: -1972.561 #kJ/mol
-analytic -3.28814E+0 0E+0 -1.6523E+3 0E+0 0E+0
1.000Ca+2 + 1.000H+ + 1.000AsO4-3 = Ca(HAsO4)
#-llnl_gamma 3.4
log_k 13.900 #10MAR/ACC
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000H+ + 1.000CO3-2 = Ca(HCO3)+
#-llnl_gamma 4.1
log_k 11.430 #96BOU1
delta_h -23.595 #kJ/mol
# Enthalpy of formation: -1241.826 #kJ/mol
-analytic 7.29634E+0 0E+0 1.23245E+3 0E+0 0E+0
1.000Ca+2 + 1.000H+ + 1.000Cit-3 = Ca(HCit)
#-llnl_gamma 5.5
log_k 9.280 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.28E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000H+ + 1.000Edta-4 = Ca(HEdta)-
#-llnl_gamma 5.5
log_k 16.230 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.623E+1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000HGlu- = Ca(HGlu)+
#-llnl_gamma 5.5
log_k 1.730 #52SCH/LIN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.73E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000HIsa- = Ca(HIsa)+
#-llnl_gamma 5.5
log_k 1.700 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.7E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000H+ + 1.000Malonate-2 = Ca(HMalonate)+
#-llnl_gamma 5.5
log_k 6.640 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.64E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000H+ + 1.000Nta-3 = Ca(HNta)
#-llnl_gamma 5.5
log_k 13.400 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 2.000H+ + 2.000Nta-3 = Ca(HNta)2-2
#-llnl_gamma 5.5
log_k 23.630 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.363E+1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- = Ca(HPO4)
#-llnl_gamma 3.4
log_k -4.470 #68CHU/MAR
delta_h 17.407 #kJ/mol #68CHU/MAR
# Enthalpy of formation: -1828.193 #kJ/mol
-analytic -1.42043E+0 0E+0 -9.0923E+2 0E+0 0E+0
1.000Ca+2 + 1.000H+ + 1.000Phthalat-2 = Ca(HPhthalat)+
#-llnl_gamma 5.5
log_k 6.420 #85DAN/DER
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.42E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000H+ + 1.000Pyrophos-4 = Ca(HPyrophos)-
#-llnl_gamma 3.6
log_k 13.800 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000H+ + 1.000Succinat-2 = Ca(HSuccinat)+
#-llnl_gamma 5.5
log_k 6.790 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 - 3.000H+ + 1.000Ho+3 + 3.000H2O = Ca(Ho(OH)3)+2
#-llnl_gamma 5.7
log_k -26.300 #07RAB/ALT
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000IO3- = Ca(IO3)+
#-llnl_gamma 4.1
log_k 0.400 #estimation NEA87 08/2/95
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4E-1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 - 1.000H+ + 1.000HIsa- = Ca(Isa)
#-llnl_gamma 5.5
log_k -10.400 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000Malonate-2 = Ca(Malonate)
#-llnl_gamma 5.5
log_k 2.430 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.43E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000NH3 = Ca(NH3)+2
#-llnl_gamma 5.7
log_k -0.100 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1E-1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 2.000NH3 = Ca(NH3)2+2
#-llnl_gamma 5.7
log_k -0.700 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -7E-1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 3.000NH3 = Ca(NH3)3+2
#-llnl_gamma 5.7
log_k -1.500 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 4.000NH3 = Ca(NH3)4+2
#-llnl_gamma 5.7
log_k -2.600 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.6E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000NO3- = Ca(NO3)+
#-llnl_gamma 4.1
log_k 0.600 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6E-1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 2.000NO3- = Ca(NO3)2
#-llnl_gamma 3.4
log_k 0.500 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5E-1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000Nta-3 = Ca(Nta)-
#-llnl_gamma 5.5
log_k 7.730 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7.73E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 - 1.000H+ + 1.000HGlu- + 1.000H2O = Ca(OH)(HGlu)
#-llnl_gamma 5.5
log_k -10.400 #02TIT/WIE
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 - 1.000H+ + 1.000H2O = Ca(OH)+
#-llnl_gamma 4.1
log_k -12.780 #87GAR/PAR
delta_h 77.207 #kJ/mol
# Enthalpy of formation: -751.623 #kJ/mol
-analytic 7.46066E-1 0E+0 -4.0328E+3 0E+0 0E+0
1.000Ca+2 + 1.000Ox-2 = Ca(Ox)
#-llnl_gamma 5.5
log_k 3.190 #05HUM/AND
delta_h 6.811 #kJ/mol
# Enthalpy of formation: -1366.849 #kJ/mol
-analytic 4.38323E+0 0E+0 -3.55763E+2 0E+0 0E+0
1.000Ca+2 + 2.000Ox-2 = Ca(Ox)2-2
#-llnl_gamma 5.5
log_k 4.020 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.02E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 - 2.000H+ + 1.000H2(PO4)- = Ca(PO4)-
#-llnl_gamma 3.6
log_k -13.100 #68CHU/MAR
delta_h 31.170 #kJ/mol #68CHU/MAR
# Enthalpy of formation: -1814.43 #kJ/mol
-analytic -7.63926E+0 0E+0 -1.62812E+3 0E+0 0E+0
1.000Ca+2 + 1.000Phthalat-2 = Ca(Phthalat)
#-llnl_gamma 5.5
log_k 2.490 #85DAN/DER
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.49E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000Pyrophos-4 = Ca(Pyrophos)-2
#-llnl_gamma 4.7
log_k 7.500 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000S2O3-2 = Ca(S2O3)
#-llnl_gamma 3.4
log_k 1.350
delta_h 3.786 #kJ/mol
# Enthalpy of formation: -1191.5 #kJ/mol #03-91 MINTEQL-PSI
-analytic 2.01328E+0 0E+0 -1.97756E+2 0E+0 0E+0
1.000Ca+2 + 1.000SO4-2 = Ca(SO4)
#-llnl_gamma 3.4
log_k 2.310 #53BEL/GEO
delta_h 4.292 #kJ/mol
# Enthalpy of formation: -1448.047 #kJ/mol
-analytic 3.06193E+0 0E+0 -2.24186E+2 0E+0 0E+0
1.000Ca+2 + 1.000SeO4-2 = Ca(SeO4)
#-llnl_gamma 3.4
log_k 2.000 #05OLI/NOL
delta_h 1.475 #kJ/mol
# Enthalpy of formation: -1145.025 #kJ/mol
-analytic 2.25841E+0 0E+0 -7.70445E+1 0E+0 0E+0
1.000Ca+2 + 1.000Sm+3 - 3.000H+ + 3.000H2O = Ca(Sm(OH)3)+2
#-llnl_gamma 5.7
log_k -26.300 #07RAB/ALT
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000Succinat-2 = Ca(Succinat)
#-llnl_gamma 5.5
log_k 2.340 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.34E+0 0E+0 0E+0 0E+0 0E+0
2.000Ca+2 - 4.000H+ + 1.000Am+3 + 4.000H2O = Ca2(Am(OH)4)+3
#-llnl_gamma 8.2
log_k -37.200 #07RAB/ALT
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
2.000Ca+2 - 4.000H+ + 1.000Cm+3 + 4.000H2O = Ca2(Cm(OH)4)+3
#-llnl_gamma 8.2
log_k -37.200 #07RAB/ALT
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
2.000Ca+2 + 1.000Eu+3 - 4.000H+ + 4.000H2O = Ca2(Eu(OH)4)+3
#-llnl_gamma 8.2
log_k -37.200 #07RAB/ALT
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
2.000Ca+2 - 4.000H+ + 1.000Ho+3 + 4.000H2O = Ca2(Ho(OH)4)+3
#-llnl_gamma 8.2
log_k -37.200 #07RAB/ALT
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
2.000Ca+2 + 1.000Sm+3 - 4.000H+ + 4.000H2O = Ca2(Sm(OH)4)+3
#-llnl_gamma 8.2
log_k -37.200 #07RAB/ALT
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
2.000Ca+2 + 1.000UO2+2 + 3.000CO3-2 = Ca2UO2(CO3)3
#-llnl_gamma 3.4
log_k 30.700 #06DON/BRO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.07E+1 0E+0 0E+0 0E+0 0E+0
3.000Ca+2 - 6.000H+ + 1.000Am+3 + 6.000H2O = Ca3(Am(OH)6)+3
#-llnl_gamma 8.2
log_k -60.700 #07RAB/ALT
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
3.000Ca+2 - 6.000H+ + 1.000Cm+3 + 6.000H2O = Ca3(Cm(OH)6)+3
#-llnl_gamma 8.2
log_k -60.700 #07RAB/ALT
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
3.000Ca+2 + 1.000Eu+3 - 6.000H+ + 6.000H2O = Ca3(Eu(OH)6)+3
#-llnl_gamma 8.2
log_k -60.700 #07RAB/ALT
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
3.000Ca+2 - 6.000H+ + 1.000Ho+3 + 6.000H2O = Ca3(Ho(OH)6)+3
#-llnl_gamma 8.2
log_k -60.700 #07RAB/ALT
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
3.000Ca+2 + 1.000Sm+3 - 6.000H+ + 6.000H2O = Ca3(Sm(OH)6)+3
#-llnl_gamma 8.2
log_k -60.700 #07RAB/ALT
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
4.000Ca+2 + 1.000Th+4 - 8.000H+ + 8.000H2O = Ca4Th(OH)8+4
#-llnl_gamma 11.6
log_k -63.100 #08ALT/NEC
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.31E+1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000B(OH)4- = CaB(OH)4+
#-llnl_gamma 4.1
log_k 1.800 #97CRO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000CO3-2 = CaCO3
#-llnl_gamma 3.4
log_k 3.220 #96BOU1
delta_h 14.830 #kJ/mol
# Enthalpy of formation: -1203.4 #kJ/mol #96BOU1
-analytic 5.8181E+0 0E+0 -7.74624E+2 0E+0 0E+0
1.000Ca+2 + 1.000Cl- = CaCl+
#-llnl_gamma 4.1
log_k -0.290 #97SVE/SHO
delta_h 7.150 #kJ/mol
# Enthalpy of formation: -702.93 #kJ/mol
-analytic 9.62624E-1 0E+0 -3.7347E+2 0E+0 0E+0
1.000Ca+2 + 2.000Cl- = CaCl2
#-llnl_gamma 3.4
log_k -0.640 #97SVE/SHO
delta_h -5.857 #kJ/mol
# Enthalpy of formation: -883.016 #kJ/mol
-analytic -1.6661E+0 0E+0 3.05932E+2 0E+0 0E+0
1.000Ca+2 + 1.000CrO4-2 = CaCrO4
#-llnl_gamma 3.4
log_k 2.770 #00PER/PAL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.77E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000F- = CaF+
#-llnl_gamma 4.1
log_k 0.940 #96BOU
delta_h 17.238 #kJ/mol #96BOU
# Enthalpy of formation: -861.112 #kJ/mol
-analytic 3.95996E+0 0E+0 -9.00402E+2 0E+0 0E+0
1.000Ca+2 + 1.000I- = CaI+
#-llnl_gamma 4.1
log_k 0.140 #92JOH/OEL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.4E-1 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 2.000I- = CaI2
#-llnl_gamma 3.4
log_k -0.020 #92JOH/OEL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2E-2 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000Th+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = CaTh(OH)4(HGlu)+
#-llnl_gamma 5.5
log_k -9.000 #13COL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -9E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000Th+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = CaTh(OH)4(HIsa)+
#-llnl_gamma 5.5
log_k -9.000 #13COL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -9E+0 0E+0 0E+0 0E+0 0E+0
1.000Ca+2 + 1.000UO2+2 + 3.000CO3-2 = CaUO2(CO3)3-2
#-llnl_gamma 4.7
log_k 27.180 #06DON/BRO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.718E+1 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 + 1.000CO3-2 = Cd(CO3)
#-llnl_gamma 3.4
log_k 4.700 #91RAI/FEL1
delta_h 4.299 #kJ/mol
# Enthalpy of formation: -746.851 #kJ/mol
-analytic 5.45315E+0 0E+0 -2.24552E+2 0E+0 0E+0
1.000Cd+2 + 2.000CO3-2 = Cd(CO3)2-2
#-llnl_gamma 4.7
log_k 6.500 #91RAI/FEL1
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 + 1.000Cn- = Cd(Cn)+
#-llnl_gamma 4.1
log_k 4.350
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.35E+0 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 + 2.000Cn- = Cd(Cn)2
#-llnl_gamma 3.4
log_k 8.430
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.43E+0 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 + 3.000Cn- = Cd(Cn)3-
#-llnl_gamma 3.6
log_k 11.950
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.195E+1 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 + 4.000Cn- = Cd(Cn)4-2
#-llnl_gamma 4.7
log_k 14.440
delta_h -85.384 #kJ/mol
# Enthalpy of formation: 428.096 #kJ/mol
-analytic -5.18613E-1 0E+0 4.45991E+3 0E+0 0E+0
1.000Cd+2 + 1.000H2(PO4)- = Cd(H2PO4)+
#-llnl_gamma 4.1
log_k 1.800 #01AYA/MAD
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 + 1.000H+ + 1.000CO3-2 = Cd(HCO3)+
#-llnl_gamma 4.1
log_k 11.830 #93STI/PAR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.183E+1 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 + 2.000HS- = Cd(HS)2
#-llnl_gamma 3.4
log_k 14.430 #99WAN/TES
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.443E+1 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 + 1.000NH3 = Cd(NH3)+2
#-llnl_gamma 5.7
log_k 2.520
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.52E+0 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 + 2.000NH3 = Cd(NH3)2+2
#-llnl_gamma 5.7
log_k 4.870
delta_h -27.965 #kJ/mol
# Enthalpy of formation: -266.225 #kJ/mol
-analytic -2.92505E-2 0E+0 1.46071E+3 0E+0 0E+0
1.000Cd+2 + 3.000NH3 = Cd(NH3)3+2
#-llnl_gamma 5.7
log_k 5.930 #ANDRA report (C RP 0ENQ 02-001, Interpolated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 + 4.000NH3 = Cd(NH3)4+2
#-llnl_gamma 5.7
log_k 7.300
delta_h -49.714 #kJ/mol
# Enthalpy of formation: -450.314 #kJ/mol
-analytic -1.40951E+0 0E+0 2.59674E+3 0E+0 0E+0
1.000Cd+2 + 1.000NO3- = Cd(NO3)+
#-llnl_gamma 4.1
log_k 0.460 #74FED/ROB in 82HÖG
delta_h -21.757 #kJ/mol #74NAU/RYZ in 91BAL/NOR
# Enthalpy of formation: -304.527 #kJ/mol
-analytic -3.35166E+0 0E+0 1.13645E+3 0E+0 0E+0
1.000Cd+2 + 2.000NO3- = Cd(NO3)2
#-llnl_gamma 3.4
log_k 0.170 #97CRO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.7E-1 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 - 1.000H+ + 1.000H2O = Cd(OH)+
#-llnl_gamma 4.1
log_k -10.080 #81BAE/MES
delta_h 54.810 #kJ/mol #81BAE/MES
# Enthalpy of formation: -306.94 #kJ/mol
-analytic -4.77714E-1 0E+0 -2.86292E+3 0E+0 0E+0
1.000Cd+2 - 2.000H+ + 2.000H2O = Cd(OH)2
#-llnl_gamma 3.4
log_k -20.900 #91RAI/FEL1
delta_h 114.900 #kJ/mol
# Enthalpy of formation: -532.68 #kJ/mol
-analytic -7.70414E-1 0E+0 -6.00164E+3 0E+0 0E+0
1.000Cd+2 - 3.000H+ + 3.000H2O = Cd(OH)3-
#-llnl_gamma 3.6
log_k -33.300 #81BAE/MES
delta_h 156.416 #kJ/mol
# Enthalpy of formation: -776.994 #kJ/mol
-analytic -5.89713E+0 0E+0 -8.17016E+3 0E+0 0E+0
1.000Cd+2 - 4.000H+ + 4.000H2O = Cd(OH)4-2
#-llnl_gamma 4.7
log_k -47.480 #91RAI/FEL1
delta_h 229.570 #kJ/mol
# Enthalpy of formation: -989.669 #kJ/mol
-analytic -7.26112E+0 0E+0 -1.19913E+4 0E+0 0E+0
1.000Cd+2 + 1.000Pyrophos-4 = Cd(Pyrophos)-2
#-llnl_gamma 4.7
log_k 8.700 #92CLE/DER
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.7E+0 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 + 1.000S2O3-2 = Cd(S2O3)
#-llnl_gamma 3.4
log_k 2.460
delta_h 5.405 #kJ/mol
# Enthalpy of formation: -722.801 #kJ/mol #74NAU/RYZ
-analytic 3.40691E+0 0E+0 -2.82322E+2 0E+0 0E+0
1.000Cd+2 + 1.000SO4-2 = Cd(SO4)
#-llnl_gamma 3.4
log_k 2.370 #97MAR/SMI
delta_h 8.700 #kJ/mol #97MAR/SMI
# Enthalpy of formation: -976.56 #kJ/mol
-analytic 3.89417E+0 0E+0 -4.54432E+2 0E+0 0E+0
1.000Cd+2 + 2.000SO4-2 = Cd(SO4)2-2
#-llnl_gamma 4.7
log_k 3.440 #76SMI/MAR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.44E+0 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 - 1.000H+ - 2.000e- + 1.000Cn- + 1.000HSe- = Cd(SeCn)+
#-llnl_gamma 4.1
log_k 15.270
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.527E+1 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 - 2.000H+ - 4.000e- + 2.000Cn- + 2.000HSe- = Cd(SeCn)2
#-llnl_gamma 3.4
log_k 29.390
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.939E+1 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 - 3.000H+ - 6.000e- + 3.000Cn- + 3.000HSe- = Cd(SeCn)3-
#-llnl_gamma 3.6
log_k 42.890
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.289E+1 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 - 4.000H+ - 8.000e- + 4.000Cn- + 4.000HSe- = Cd(SeCn)4-2
#-llnl_gamma 4.7
log_k 56.710
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.671E+1 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 + 1.000SeO4-2 = Cd(SeO4)
#-llnl_gamma 3.4
log_k 2.270 #05OLI/NOL
delta_h 8.300 #kJ/mol #05OLI/NOL
# Enthalpy of formation: -671.12 #kJ/mol
-analytic 3.7241E+0 0E+0 -4.33539E+2 0E+0 0E+0
4.000Cd+2 - 4.000H+ + 4.000H2O = Cd4(OH)4+4
#-llnl_gamma 11.6
log_k -32.070
delta_h 172.135 #kJ/mol
# Enthalpy of formation: -1274.865 #kJ/mol #99YUN/GLU
-analytic -1.91329E+0 0E+0 -8.99122E+3 0E+0 0E+0
1.000Cd+2 + 1.000Br- = CdBr+
#-llnl_gamma 4.1
log_k 2.160
delta_h -7.959 #kJ/mol
# Enthalpy of formation: -205.289 #kJ/mol
-analytic 7.65645E-1 0E+0 4.15727E+2 0E+0 0E+0
1.000Cd+2 + 2.000Br- = CdBr2
#-llnl_gamma 3.4
log_k 2.920
delta_h -15.743 #kJ/mol
# Enthalpy of formation: -334.482 #kJ/mol
-analytic 1.61949E-1 0E+0 8.22313E+2 0E+0 0E+0
1.000Cd+2 + 3.000Br- = CdBr3-
#-llnl_gamma 3.6
log_k 3.190
delta_h -28.846 #kJ/mol
# Enthalpy of formation: -468.995 #kJ/mol
-analytic -1.86359E+0 0E+0 1.50673E+3 0E+0 0E+0
1.000Cd+2 + 1.000Cl- = CdCl+
#-llnl_gamma 4.1
log_k 1.970 #76BAE/MES
delta_h -5.520 #kJ/mol
# Enthalpy of formation: -248.52 #kJ/mol
-analytic 1.00294E+0 0E+0 2.88329E+2 0E+0 0E+0
1.000Cd+2 + 2.000Cl- = CdCl2
#-llnl_gamma 3.4
log_k 2.590 #76BAE/MES
delta_h -14.068 #kJ/mol
# Enthalpy of formation: -424.148 #kJ/mol
-analytic 1.25396E-1 0E+0 7.34822E+2 0E+0 0E+0
1.000Cd+2 + 3.000Cl- = CdCl3-
#-llnl_gamma 3.6
log_k 2.400 #76BAE/MES
delta_h -25.804 #kJ/mol
# Enthalpy of formation: -602.963 #kJ/mol
-analytic -2.12066E+0 0E+0 1.34783E+3 0E+0 0E+0
1.000Cd+2 + 4.000Cl- = CdCl4-2
#-llnl_gamma 4.7
log_k 1.470 #76BAE/MES
delta_h -44.765 #kJ/mol
# Enthalpy of formation: -789.004 #kJ/mol
-analytic -6.37248E+0 0E+0 2.33824E+3 0E+0 0E+0
1.000Cd+2 - 1.000H+ + 1.000H2(PO4)- = CdHPO4
#-llnl_gamma 3.4
log_k -2.380 #01AYA/MAD
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.38E+0 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 + 1.000HS- = CdHS+
#-llnl_gamma 4.1
log_k 7.380 #99WAN/TES
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7.38E+0 0E+0 0E+0 0E+0 0E+0
1.000Cd+2 + 1.000I- = CdI+
#-llnl_gamma 4.1
log_k 2.090
delta_h -8.739 #kJ/mol
# Enthalpy of formation: -141.439 #kJ/mol
-analytic 5.58995E-1 0E+0 4.56469E+2 0E+0 0E+0
1.000Cd+2 + 2.000I- = CdI2
#-llnl_gamma 3.4
log_k 3.530
delta_h -18.988 #kJ/mol
# Enthalpy of formation: -208.468 #kJ/mol
-analytic 2.0345E-1 0E+0 9.91811E+2 0E+0 0E+0
1.000Cd+2 + 3.000I- = CdI3-
#-llnl_gamma 3.6
log_k 4.640
delta_h -38.648 #kJ/mol
# Enthalpy of formation: -284.907 #kJ/mol
-analytic -2.13083E+0 0E+0 2.01872E+3 0E+0 0E+0
1.000Cd+2 + 4.000I- = CdI4-2
#-llnl_gamma 4.7
log_k 5.480
delta_h -75.610 #kJ/mol
# Enthalpy of formation: -378.649 #kJ/mol
-analytic -7.76628E+0 0E+0 3.94938E+3 0E+0 0E+0
- 2.000e- + 2.000Cl- = Cl2
#-llnl_gamma 3.4
log_k -47.210
delta_h 310.760 #kJ/mol
# Enthalpy of formation: -23.4 #kJ/mol #82WAG/EVA
-analytic 7.23274E+0 0E+0 -1.62321E+4 0E+0 0E+0
- 8.000H+ - 8.000e- + 1.000Cl- + 4.000H2O = ClO4-
#-llnl_gamma 3.6
log_k -187.790
delta_h 1182.300 #kJ/mol
# Enthalpy of formation: -128.1 #kJ/mol #89COX/WAG
-analytic 1.93398E+1 0E+0 -6.17557E+4 0E+0 0E+0
1.000Cm+3 + 1.000Acetate- = Cm(Acetate)+2
#-llnl_gamma 5.5
log_k 3.010 #11RIC/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.01E+0 0E+0 0E+0 0E+0 0E+0
1.000Cm+3 + 2.000Acetate- = Cm(Acetate)2+
#-llnl_gamma 5.5
log_k 4.960 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.96E+0 0E+0 0E+0 0E+0 0E+0
1.000Cm+3 + 3.000Acetate- = Cm(Acetate)3
#-llnl_gamma 5.5
log_k 6.300 #69MOS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.3E+0 0E+0 0E+0 0E+0 0E+0
2.000CO3-2 + 1.000Cm+3 = Cm(CO3)2-
#-llnl_gamma 3.6
log_k 12.600 #06DUR/CER
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0
3.000CO3-2 + 1.000Cm+3 = Cm(CO3)3-3
#-llnl_gamma 6.7
log_k 14.600 #06DUR/CER
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0
1.000H2(PO4)- + 1.000Cm+3 = Cm(H2PO4)+2
#-llnl_gamma 5.7
log_k 2.400 #estimated by correlation with Ln(III)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000H2(PO4)- + 1.000Cm+3 = Cm(HPO4)+
#-llnl_gamma 4.1
log_k -1.700 #estimated by correlation with Ln(III)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.7E+0 0E+0 0E+0 0E+0 0E+0
- 2.000H+ + 2.000H2(PO4)- + 1.000Cm+3 = Cm(HPO4)2-
#-llnl_gamma 3.6
log_k -5.210 #estimated by correlation with Ln(III)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.21E+0 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000Cm+3 + 1.000H2O = Cm(OH)+2
#-llnl_gamma 5.7
log_k -7.200 #03GUI/FAN
delta_h 79.365 #kJ/mol
# Enthalpy of formation: -821.465 #kJ/mol
-analytic 6.70413E+0 0E+0 -4.14552E+3 0E+0 0E+0
- 2.000H+ + 1.000Cm+3 + 2.000H2O = Cm(OH)2+
#-llnl_gamma 4.1
log_k -15.100 #03GUI/FAN
delta_h 144.956 #kJ/mol
# Enthalpy of formation: -1041.703 #kJ/mol
-analytic 1.02952E+1 0E+0 -7.57157E+3 0E+0 0E+0
- 3.000H+ + 1.000Cm+3 + 3.000H2O = Cm(OH)3
#-llnl_gamma 3.4
log_k -26.200 #03GUI/FAN
delta_h 231.675 #kJ/mol
# Enthalpy of formation: -1240.814 #kJ/mol
-analytic 1.43877E+1 0E+0 -1.21012E+4 0E+0 0E+0
- 4.000H+ + 1.000Cm+3 + 4.000H2O = Cm(OH)4-
#-llnl_gamma 3.6
log_k -40.700 #07NEC/ALT2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.07E+1 0E+0 0E+0 0E+0 0E+0
1.000Ox-2 + 1.000Cm+3 = Cm(Ox)+
#-llnl_gamma 5.5
log_k 6.480 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.48E+0 0E+0 0E+0 0E+0 0E+0
2.000Ox-2 + 1.000Cm+3 = Cm(Ox)2-
#-llnl_gamma 5.5
log_k 10.400 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.04E+1 0E+0 0E+0 0E+0 0E+0
3.000Ox-2 + 1.000Cm+3 = Cm(Ox)3-3
#-llnl_gamma 5.5
log_k 12.840 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.284E+1 0E+0 0E+0 0E+0 0E+0
- 4.000H+ + 2.000H2(PO4)- + 1.000Cm+3 = Cm(PO4)2-3
#-llnl_gamma 6.7
log_k -19.230 #estimated by corrlation with Ln(III)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.923E+1 0E+0 0E+0 0E+0 0E+0
1.000Cm+3 + 1.000Phthalat-2 = Cm(Phthalat)+
#-llnl_gamma 5.5
log_k 4.930 #11GRI/COL3 from 95PAN/KLE
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.93E+0 0E+0 0E+0 0E+0 0E+0
2.000SO4-2 + 1.000Cm+3 = Cm(SO4)2-
#-llnl_gamma 3.6
log_k 4.570 #12SKE/PAN, same as Am, revised in the 2012 update.
delta_h 20.880 #kJ/mol
# Enthalpy of formation: -2412.8 #kJ/mol #estimated by analogy with Ln
-analytic 8.22801E+0 0E+0 -1.09064E+3 0E+0 0E+0
1.000CO3-2 + 1.000Cm+3 = CmCO3+
#-llnl_gamma 4.1
log_k 7.900 #06DUR/CER
delta_h 153.981 #kJ/mol
# Enthalpy of formation: -1136.249 #kJ/mol
-analytic 3.48763E+1 0E+0 -8.04298E+3 0E+0 0E+0
1.000Cl- + 1.000Cm+3 = CmCl+2
#-llnl_gamma 5.7
log_k 0.240 #03GUI/FAN, same as Am
delta_h 22.512 #kJ/mol
# Enthalpy of formation: -759.568 #kJ/mol
-analytic 4.18393E+0 0E+0 -1.17588E+3 0E+0 0E+0
2.000Cl- + 1.000Cm+3 = CmCl2+
#-llnl_gamma 4.1
log_k -0.740 #03GUI/FAN, same as Am
delta_h 41.165 #kJ/mol
# Enthalpy of formation: -907.995 #kJ/mol
-analytic 6.47179E+0 0E+0 -2.15019E+3 0E+0 0E+0
1.000F- + 1.000Cm+3 = CmF+2
#-llnl_gamma 5.7
log_k 3.400 #03GUI/FAN, same as Am
delta_h 25.613 #kJ/mol
# Enthalpy of formation: -924.737 #kJ/mol
-analytic 7.8872E+0 0E+0 -1.33786E+3 0E+0 0E+0
2.000F- + 1.000Cm+3 = CmF2+
#-llnl_gamma 4.1
log_k 5.800 #03GUI/FAN, same as Am
delta_h 20.620 #kJ/mol
# Enthalpy of formation: -1265.079 #kJ/mol
-analytic 9.41246E+0 0E+0 -1.07706E+3 0E+0 0E+0
3.000F- + 1.000Cm+3 = CmF3
#-llnl_gamma 3.4
log_k 11.180 #69AZI/LYL
delta_h -15.485 #kJ/mol
# Enthalpy of formation: -1636.535 #kJ/mol
-analytic 8.46715E+0 0E+0 8.08837E+2 0E+0 0E+0
1.000H+ + 1.000CO3-2 + 1.000Cm+3 = CmHCO3+2
#-llnl_gamma 5.7
log_k 13.430 #03GUI/FAN, same as Am
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.343E+1 0E+0 0E+0 0E+0 0E+0
1.000NO3- + 1.000Cm+3 = CmNO3+2
#-llnl_gamma 5.7
log_k 1.330 #95SIL/BID
delta_h 1.800 #kJ/mol #09SKE/PAN
# Enthalpy of formation: -820.05 #kJ/mol
-analytic 1.64535E+0 0E+0 -9.40204E+1 0E+0 0E+0
- 2.000H+ + 1.000H2(PO4)- + 1.000Cm+3 = CmPO4
#-llnl_gamma 3.4
log_k -7.660 #estimated by correlation with Ln(III)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -7.66E+0 0E+0 0E+0 0E+0 0E+0
1.000SO4-2 + 1.000Cm+3 = CmSO4+
#-llnl_gamma 4.1
log_k 3.450 #12SKE/PAN, same as Am, revised in the 2012 update.
delta_h 15.640 #kJ/mol
# Enthalpy of formation: -1508.7 #kJ/mol #estimated by analogy with Ln
-analytic 6.19001E+0 0E+0 -8.16933E+2 0E+0 0E+0
- 1.000H+ + 1.000H4(SiO4) + 1.000Cm+3 = CmSiO(OH)3+2
#-llnl_gamma 5.7
log_k -2.310 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.31E+0 0E+0 0E+0 0E+0 0E+0
1.000Co+2 + 2.000HS- = Co(HS)2
#-llnl_gamma 3.4
log_k 8.770 #66KHO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.77E+0 0E+0 0E+0 0E+0 0E+0
1.000Co+2 - 1.000H+ + 1.000H2O = Co(OH)+
#-llnl_gamma 4.1
log_k -9.230 #98PLY/ZHA1
delta_h 45.962 #kJ/mol
# Enthalpy of formation: -297.468 #kJ/mol
-analytic -1.17782E+0 0E+0 -2.40076E+3 0E+0 0E+0
1.000Co+2 - 2.000H+ + 2.000H2O = Co(OH)2
#-llnl_gamma 3.4
log_k -18.600 #98PLY/ZHA1
delta_h 105.707 #kJ/mol
# Enthalpy of formation: -523.552 #kJ/mol
-analytic -8.09557E-2 0E+0 -5.52145E+3 0E+0 0E+0
1.000Co+2 - 3.000H+ + 3.000H2O = Co(OH)3-
#-llnl_gamma 3.6
log_k -31.700 #98PLY/ZHA1
delta_h 160.297 #kJ/mol
# Enthalpy of formation: -754.792 #kJ/mol
-analytic -3.61721E+0 0E+0 -8.37288E+3 0E+0 0E+0
1.000Co+2 - 4.000H+ + 4.000H2O = Co(OH)4-2
#-llnl_gamma 4.7
log_k -46.420 #98PLY/ZHA1
delta_h 214.483 #kJ/mol
# Enthalpy of formation: -986.435 #kJ/mol
-analytic -8.84425E+0 0E+0 -1.12032E+4 0E+0 0E+0
1.000Co+2 - 1.000H+ - 2.000e- + 1.000Cn- + 1.000HSe- = Co(SeCn)+
#-llnl_gamma 4.1
log_k 14.530 #75SAT/SAH
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.453E+1 0E+0 0E+0 0E+0 0E+0
1.000Co+2 + 1.000SeO4-2 = Co(SeO4)
#-llnl_gamma 3.4
log_k 2.700 #05OLI/NOL
delta_h -3.617 #kJ/mol
# Enthalpy of formation: -664.716 #kJ/mol
-analytic 2.06633E+0 0E+0 1.88929E+2 0E+0 0E+0
2.000Co+2 - 1.000H+ + 1.000H2O = Co2(OH)+3
#-llnl_gamma 8.2
log_k -9.830 #98PLY/ZHA1
delta_h 30.030 #kJ/mol
# Enthalpy of formation: -371 #kJ/mol #98PLY/ZHA1
-analytic -4.56898E+0 0E+0 -1.56857E+3 0E+0 0E+0
4.000Co+2 - 4.000H+ + 4.000H2O = Co4(OH)4+4
#-llnl_gamma 11.6
log_k -29.880 #98PLY/ZHA1
delta_h 149.720 #kJ/mol
# Enthalpy of formation: -1224 #kJ/mol #98PLY/ZHA1
-analytic -3.65022E+0 0E+0 -7.82041E+3 0E+0 0E+0
1.000Co+2 + 1.000CO3-2 = CoCO3
#-llnl_gamma 3.4
log_k 4.230 #97MAR/SMI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.23E+0 0E+0 0E+0 0E+0 0E+0
1.000Co+2 + 1.000Cl- = CoCl+
#-llnl_gamma 4.1
log_k 0.570 #81TUR/WHI
delta_h -2.180 #kJ/mol
# Enthalpy of formation: -226.859 #kJ/mol
-analytic 1.88081E-1 0E+0 1.13869E+2 0E+0 0E+0
1.000Co+2 + 2.000Cl- = CoCl2
#-llnl_gamma 3.4
log_k 0.020 #06BLA/IGN
delta_h 4.074 #kJ/mol #06BLA/IGN
# Enthalpy of formation: -387.686 #kJ/mol
-analytic 7.33733E-1 0E+0 -2.128E+2 0E+0 0E+0
1.000Co+2 + 3.000Cl- = CoCl3-
#-llnl_gamma 3.6
log_k -1.710 #06BLA/IGN
delta_h 6.688 #kJ/mol #06BLA/IGN
# Enthalpy of formation: -552.152 #kJ/mol
-analytic -5.38314E-1 0E+0 -3.49338E+2 0E+0 0E+0
1.000Co+2 + 4.000Cl- = CoCl4-2
#-llnl_gamma 4.7
log_k -2.090 #06BLA/IGN
delta_h 22.570 #kJ/mol #06BLA/IGN
# Enthalpy of formation: -703.35 #kJ/mol
-analytic 1.86409E+0 0E+0 -1.17891E+3 0E+0 0E+0
1.000Co+2 + 1.000F- = CoF+
#-llnl_gamma 4.1
log_k 1.500 #97MAR/SMI
delta_h -0.631 #kJ/mol
# Enthalpy of formation: -393.58 #kJ/mol
-analytic 1.38945E+0 0E+0 3.29594E+1 0E+0 0E+0
1.000Co+2 + 1.000H+ + 1.000CO3-2 = CoHCO3+
#-llnl_gamma 4.1
log_k 12.220 #97MAR/SMI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.222E+1 0E+0 0E+0 0E+0 0E+0
1.000Co+2 - 1.000H+ + 1.000H2(PO4)- = CoHPO4
#-llnl_gamma 3.4
log_k -4.150 #97MAR/SMI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.15E+0 0E+0 0E+0 0E+0 0E+0
1.000Co+2 + 1.000HS- = CoHS+
#-llnl_gamma 4.1
log_k 5.670 #66KHO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.67E+0 0E+0 0E+0 0E+0 0E+0
1.000Co+2 + 1.000S2O3-2 = CoS2O3
#-llnl_gamma 3.4
log_k 2.050 #51DEN/MON
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.05E+0 0E+0 0E+0 0E+0 0E+0
1.000Co+2 + 1.000SO4-2 = CoSO4
#-llnl_gamma 3.4
log_k 2.300 #97MAR/SMI
delta_h 2.092 #kJ/mol #74NAU/RYZ
# Enthalpy of formation: -964.848 #kJ/mol
-analytic 2.6665E+0 0E+0 -1.09273E+2 0E+0 0E+0
1.000H2(PO4)- + 1.000Cr+3 = Cr(H2PO4)+2
#-llnl_gamma 5.7
log_k 2.560 #66LAH/ADI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.56E+0 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000H2(PO4)- + 1.000Cr+3 = Cr(HPO4)+
#-llnl_gamma 4.1
log_k 2.250 #76ALE/MAS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.25E+0 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 2.000CO3-2 + 1.000Cr+3 + 1.000H2O = Cr(OH)(CO3)2-2
#-llnl_gamma 4.7
log_k 9.730 #07RAI/MOO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.73E+0 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000Cr+2 + 1.000H2O = Cr(OH)+
#-llnl_gamma 4.1
log_k -5.300 #83MIC/DEB, 04CHI
delta_h 30.327 #kJ/mol
# Enthalpy of formation: -413.117 #kJ/mol
-analytic 1.30545E-2 0E+0 -1.58409E+3 0E+0 0E+0
- 1.000H+ + 1.000Cr+3 + 1.000H2O = Cr(OH)+2
#-llnl_gamma 5.7
log_k -3.420 #04RAI/MOO
delta_h 37.222 #kJ/mol
# Enthalpy of formation: -489.108 #kJ/mol
-analytic 3.101E+0 0E+0 -1.94424E+3 0E+0 0E+0
- 2.000H+ + 1.000Cr+3 + 2.000H2O = Cr(OH)2+
#-llnl_gamma 4.1
log_k -8.900 #11GRI/COL4
delta_h 93.198 #kJ/mol
# Enthalpy of formation: -718.961 #kJ/mol
-analytic 7.42756E+0 0E+0 -4.86806E+3 0E+0 0E+0
- 3.000H+ + 1.000Cr+3 + 3.000H2O = Cr(OH)3
#-llnl_gamma 3.4
log_k -14.340 #04RAI/MOO
delta_h 143.704 #kJ/mol
# Enthalpy of formation: -954.285 #kJ/mol
-analytic 1.08358E+1 0E+0 -7.50617E+3 0E+0 0E+0
- 3.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(H2PO4)-
#-llnl_gamma 3.6
log_k -11.560 #04RAI/MOO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.156E+1 0E+0 0E+0 0E+0 0E+0
- 3.000H+ + 2.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(H2PO4)2-2
#-llnl_gamma 4.7
log_k -10.860 #04RAI/MOO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.086E+1 0E+0 0E+0 0E+0 0E+0
- 4.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(HPO4)-2
#-llnl_gamma 4.7
log_k -19.580 #04RAI/MOO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.958E+1 0E+0 0E+0 0E+0 0E+0
- 5.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(PO4)-3
#-llnl_gamma 6.7
log_k -30.240 #98ZIE/JON
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.024E+1 0E+0 0E+0 0E+0 0E+0
- 4.000H+ + 1.000CO3-2 + 1.000Cr+3 + 4.000H2O = Cr(OH)4(CO3)-3
#-llnl_gamma 6.7
log_k -25.690 #07RAI/MOO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.569E+1 0E+0 0E+0 0E+0 0E+0
- 5.000H+ + 2.000H2(PO4)- + 1.000Cr+3 + 4.000H2O = Cr(OH)4(HPO4)(H2PO4)-4
#-llnl_gamma 9.6
log_k -28.760 #98ZIE/JON
delta_h 14.000 #kJ/mol #98ZIE/JON
# Enthalpy of formation: -3975.02 #kJ/mol
-analytic -2.63073E+1 0E+0 -7.3127E+2 0E+0 0E+0
- 4.000H+ + 1.000Cr+3 + 4.000H2O = Cr(OH)4-
#-llnl_gamma 3.6
log_k -25.860 #04RAI/MOO
delta_h 193.614 #kJ/mol
# Enthalpy of formation: -1190.205 #kJ/mol
-analytic 8.05967E+0 0E+0 -1.01131E+4 0E+0 0E+0
- 1.000H+ + 1.000CO3-2 + 1.000Cr+3 + 1.000H2O = Cr(OH)CO3
#-llnl_gamma 3.4
log_k 4.000 #07RAI/MOO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4E+0 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 2.000Cl- + 1.000Cr+3 + 1.000H2O = Cr(OH)Cl2
#-llnl_gamma 3.4
log_k -5.730
delta_h 32.720 #kJ/mol
# Enthalpy of formation: -827.77 #kJ/mol #76DEL/HEP
-analytic 2.28952E-3 0E+0 -1.70908E+3 0E+0 0E+0
- 2.000H+ + 2.000Cr+3 + 2.000H2O = Cr2(OH)2+4
#-llnl_gamma 11.6
log_k -4.000 #11GRI/COL4
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4E+0 0E+0 0E+0 0E+0 0E+0
2.000H+ + 2.000CrO4-2 - 1.000H2O = Cr2O7-2
#-llnl_gamma 4.7
log_k 14.750 #87PAL/WES, 04CHI
delta_h -3.752 #kJ/mol
# Enthalpy of formation: -1475.923 #kJ/mol
-analytic 1.40927E+1 0E+0 1.9598E+2 0E+0 0E+0
- 4.000H+ + 3.000Cr+3 + 4.000H2O = Cr3(OH)4+5
#-llnl_gamma 15.9
log_k -7.600 #11GRI/COL4
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -7.6E+0 0E+0 0E+0 0E+0 0E+0
1.000Br- + 1.000Cr+3 = CrBr+2
#-llnl_gamma 5.7
log_k -0.620
delta_h 22.588 #kJ/mol
# Enthalpy of formation: -339.322 #kJ/mol #76DEL/HEP
-analytic 3.33724E+0 0E+0 -1.17985E+3 0E+0 0E+0
1.000Cl- + 1.000Cr+2 = CrCl+
#-llnl_gamma 4.1
log_k 5.600 #91ALL/BRO
delta_h -20.200 #kJ/mol #91ALL/BRO
# Enthalpy of formation: -344.894 #kJ/mol
-analytic 2.06112E+0 0E+0 1.05512E+3 0E+0 0E+0
1.000Cl- + 1.000Cr+3 = CrCl+2
#-llnl_gamma 5.7
log_k 0.620 #64SIL/MAR
delta_h 20.920 #kJ/mol #64SIL/MAR
# Enthalpy of formation: -386.66 #kJ/mol
-analytic 4.28502E+0 0E+0 -1.09273E+3 0E+0 0E+0
2.000Cl- + 1.000Cr+3 = CrCl2+
#-llnl_gamma 4.1
log_k -0.710 #64SIL/MAR
delta_h 20.920 #kJ/mol #64SIL/MAR
# Enthalpy of formation: -553.74 #kJ/mol
-analytic 2.95502E+0 0E+0 -1.09273E+3 0E+0 0E+0
1.000F- + 1.000Cr+3 = CrF+2
#-llnl_gamma 5.7
log_k 5.210 #81TUR/WHI
delta_h -2.510 #kJ/mol #53HEP/JOL
# Enthalpy of formation: -578.36 #kJ/mol
-analytic 4.77027E+0 0E+0 1.31106E+2 0E+0 0E+0
2.000F- + 1.000Cr+3 = CrF2+
#-llnl_gamma 4.1
log_k 9.310 #81TUR/WHI
delta_h -0.418 #kJ/mol #53HEP/JOL
# Enthalpy of formation: -911.618 #kJ/mol
-analytic 9.23677E+0 0E+0 2.18336E+1 0E+0 0E+0
3.000F- + 1.000Cr+3 = CrF3
#-llnl_gamma 3.4
log_k 11.910 #81TUR/WHI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.191E+1 0E+0 0E+0 0E+0 0E+0
2.000H+ + 1.000Cl- + 1.000CrO4-2 - 1.000H2O = CrO3Cl-
#-llnl_gamma 3.6
log_k 8.080
delta_h 5.450 #kJ/mol
# Enthalpy of formation: -754.8 #kJ/mol #76DEL/HEP
-analytic 9.0348E+0 0E+0 -2.84673E+2 0E+0 0E+0
1.000SO4-2 + 1.000Cr+3 = CrSO4+
#-llnl_gamma 4.1
log_k 4.610 #81TUR/WHI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.61E+0 0E+0 0E+0 0E+0 0E+0
1.000Cs+ + 1.000Cit-3 = Cs(Cit)-2
#-llnl_gamma 5.5
log_k 0.980 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.8E-1 0E+0 0E+0 0E+0 0E+0
1.000Cs+ + 1.000Edta-4 = Cs(Edta)-3
#-llnl_gamma 5.5
log_k 1.300 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0
1.000Cs+ + 1.000Nta-3 = Cs(Nta)-2
#-llnl_gamma 5.5
log_k 0.850 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.5E-1 0E+0 0E+0 0E+0 0E+0
1.000Cs+ - 1.000H+ + 1.000H2O = Cs(OH)
#-llnl_gamma 3.4
log_k -15.640
delta_h 65.736 #kJ/mol
# Enthalpy of formation: -478.094 #kJ/mol #97SHO/SAS2
-analytic -4.12356E+0 0E+0 -3.43363E+3 0E+0 0E+0
1.000Cs+ + 1.000Br- = CsBr
#-llnl_gamma 3.4
log_k 0.100
delta_h 5.912 #kJ/mol
# Enthalpy of formation: -373.497 #kJ/mol
-analytic 1.13574E+0 0E+0 -3.08805E+2 0E+0 0E+0
1.000Cs+ + 1.000Cl- = CsCl
#-llnl_gamma 3.4
log_k -0.090
delta_h 7.514 #kJ/mol
# Enthalpy of formation: -417.566 #kJ/mol
-analytic 1.22639E+0 0E+0 -3.92483E+2 0E+0 0E+0
1.000Cs+ + 1.000F- = CsF
#-llnl_gamma 3.4
log_k -0.380
delta_h 2.436 #kJ/mol
# Enthalpy of formation: -590.913 #kJ/mol
-analytic 4.67683E-2 0E+0 -1.27241E+2 0E+0 0E+0
1.000Cs+ + 1.000I- = CsI
#-llnl_gamma 3.4
log_k 1.050
delta_h -0.071 #kJ/mol
# Enthalpy of formation: -314.85 #kJ/mol
-analytic 1.03756E+0 0E+0 3.70858E+0 0E+0 0E+0
1.000Cu+2 + 1.000B(OH)4- = Cu(B(OH)4)+
#-llnl_gamma 4.1
log_k 7.130 #80BAS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7.13E+0 0E+0 0E+0 0E+0 0E+0
1.000Cu+2 + 2.000B(OH)4- = Cu(B(OH)4)2
#-llnl_gamma 3.4
log_k 12.450 #80BAS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.245E+1 0E+0 0E+0 0E+0 0E+0
1.000Cu+2 + 3.000B(OH)4- = Cu(B(OH)4)3-
#-llnl_gamma 3.6
log_k 15.170 #80BAS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.517E+1 0E+0 0E+0 0E+0 0E+0
1.000Cu+2 + 1.000SeO4-2 = Cu(SeO4)
#-llnl_gamma 3.4
log_k 2.200 #Upper value suggested in 05OLI/NOL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 + 1.000Acetate- = Eu(Acetate)+2
#-llnl_gamma 5.5
log_k 2.900 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 + 2.000Acetate- = Eu(Acetate)2+
#-llnl_gamma 5.5
log_k 4.800 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.8E+0 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 + 3.000Acetate- = Eu(Acetate)3
#-llnl_gamma 5.5
log_k 5.600 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.6E+0 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 + 1.000CO3-2 = Eu(CO3)+
#-llnl_gamma 4.1
log_k 7.900 #95SPA/BRU
delta_h 167.547 #kJ/mol
# Enthalpy of formation: -1113.008 #kJ/mol
-analytic 3.72529E+1 0E+0 -8.75158E+3 0E+0 0E+0
1.000Eu+3 + 2.000CO3-2 = Eu(CO3)2-
#-llnl_gamma 3.6
log_k 12.900 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 + 3.000CO3-2 = Eu(CO3)3-3
#-llnl_gamma 6.7
log_k 14.800 #05VER/VIT2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 + 1.000H2(PO4)- = Eu(H2PO4)+2
#-llnl_gamma 5.7
log_k 2.400 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 + 1.000H+ + 1.000CO3-2 = Eu(HCO3)+2
#-llnl_gamma 5.7
log_k 12.430 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.243E+1 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 - 1.000H+ + 1.000H2(PO4)- = Eu(HPO4)+
#-llnl_gamma 4.1
log_k -1.510 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.51E+0 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 - 2.000H+ + 2.000H2(PO4)- = Eu(HPO4)2-
#-llnl_gamma 3.6
log_k -4.820 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.82E+0 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 + 1.000Malonate-2 = Eu(Malonate)+
#-llnl_gamma 5.5
log_k 5.430 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.43E+0 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 + 2.000Malonate-2 = Eu(Malonate)2-
#-llnl_gamma 5.5
log_k 7.780 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7.78E+0 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 + 1.000NO3- = Eu(NO3)+2
#-llnl_gamma 5.7
log_k 1.210 #09RAO/TIA1 (Calculated usig SIT)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 - 1.000H+ + 1.000H2O = Eu(OH)+2
#-llnl_gamma 5.7
log_k -7.800 #95SPA/BRU
delta_h 79.824 #kJ/mol
# Enthalpy of formation: -811.331 #kJ/mol
-analytic 6.18454E+0 0E+0 -4.16949E+3 0E+0 0E+0
1.000Eu+3 - 2.000H+ + 2.000H2O = Eu(OH)2+
#-llnl_gamma 4.1
log_k -15.700 #07NEC/ALT2
delta_h 144.521 #kJ/mol
# Enthalpy of formation: -1032.464 #kJ/mol
-analytic 9.61896E+0 0E+0 -7.54885E+3 0E+0 0E+0
1.000Eu+3 - 3.000H+ + 3.000H2O = Eu(OH)3
#-llnl_gamma 3.4
log_k -26.200 #07NEC/ALT2
delta_h 226.861 #kJ/mol
# Enthalpy of formation: -1235.953 #kJ/mol
-analytic 1.35443E+1 0E+0 -1.18498E+4 0E+0 0E+0
1.000Eu+3 - 3.000H+ + 1.000HIsa- + 3.000H2O = Eu(OH)3(HIsa)-
#-llnl_gamma 5.5
log_k -20.900 #05TIT/WIE
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.09E+1 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 - 4.000H+ + 4.000H2O = Eu(OH)4-
#-llnl_gamma 3.6
log_k -40.700 #07NEC/ALT2
delta_h 296.791 #kJ/mol
# Enthalpy of formation: -1451.852 #kJ/mol
-analytic 1.12955E+1 0E+0 -1.55025E+4 0E+0 0E+0
1.000Eu+3 + 1.000Ox-2 = Eu(Ox)+
#-llnl_gamma 5.5
log_k 6.550 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.55E+0 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 + 2.000Ox-2 = Eu(Ox)2-
#-llnl_gamma 5.5
log_k 10.930 # Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.093E+1 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 + 3.000Ox-2 = Eu(Ox)3-3
#-llnl_gamma 5.5
log_k 12.480 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.248E+1 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- = Eu(PO4)
#-llnl_gamma 3.4
log_k -7.360 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -7.36E+0 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 - 4.000H+ + 2.000H2(PO4)- = Eu(PO4)2-3
#-llnl_gamma 6.7
log_k -18.460 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.846E+1 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 + 1.000Phthalat-2 = Eu(Phthalat)+
#-llnl_gamma 5.5
log_k 4.960 #11GRI/COL3
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.96E+0 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 + 2.000Phthalat-2 = Eu(Phthalat)2-
#-llnl_gamma 5.5
log_k 7.340 #11GRI/COL3
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7.34E+0 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 + 1.000SO4-2 = Eu(SO4)+
#-llnl_gamma 4.1
log_k 3.500 #95SPA/BRU
delta_h 15.577 #kJ/mol
# Enthalpy of formation: -1499.088 #kJ/mol
-analytic 6.22897E+0 0E+0 -8.13642E+2 0E+0 0E+0
1.000Eu+3 + 2.000SO4-2 = Eu(SO4)2-
#-llnl_gamma 3.6
log_k 5.200 #95SPA/BRU
delta_h 23.017 #kJ/mol
# Enthalpy of formation: -2400.987 #kJ/mol
-analytic 9.2324E+0 0E+0 -1.20226E+3 0E+0 0E+0
1.000Eu+3 + 1.000Succinat-2 = Eu(Succinat)+
#-llnl_gamma 5.5
log_k 4.360 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.36E+0 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 + 2.000Succinat-2 = Eu(Succinat)2-
#-llnl_gamma 5.5
log_k 6.500 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0
1.000Eu+3 + 1.000Br- = EuBr+2
#-llnl_gamma 5.7
log_k 0.250 #95SPA/BRU
delta_h 16.223 #kJ/mol
# Enthalpy of formation: -710.511 #kJ/mol
-analytic 3.09214E+0 0E+0 -8.47385E+2 0E+0 0E+0
1.000Eu+3 + 2.000Br- = EuBr2+
#-llnl_gamma 4.1
log_k -0.090 #95SPA/BRU
delta_h 26.498 #kJ/mol
# Enthalpy of formation: -821.646 #kJ/mol
-analytic 4.55224E+0 0E+0 -1.38408E+3 0E+0 0E+0
1.000Eu+3 + 1.000Cl- = EuCl+2
#-llnl_gamma 5.7
log_k 0.760 #Original data 01LUO/BYR and 04LUO/BYR
delta_h 21.929 #kJ/mol
# Enthalpy of formation: -750.476 #kJ/mol
-analytic 4.60179E+0 0E+0 -1.14543E+3 0E+0 0E+0
1.000Eu+3 + 2.000Cl- = EuCl2+
#-llnl_gamma 4.1
log_k -0.050 #95SPA/BRU
delta_h 35.334 #kJ/mol
# Enthalpy of formation: -904.151 #kJ/mol
-analytic 6.14024E+0 0E+0 -1.84562E+3 0E+0 0E+0
1.000Eu+3 + 1.000F- = EuF+2
#-llnl_gamma 5.7
log_k 4.330 #07LUO/BYR
delta_h 24.956 #kJ/mol
# Enthalpy of formation: -915.719 #kJ/mol
-analytic 8.7021E+0 0E+0 -1.30354E+3 0E+0 0E+0
1.000Eu+3 + 2.000F- = EuF2+
#-llnl_gamma 4.1
log_k 6.550 #Original data from 99SCH/BYR and 04LUO/BYR
delta_h 21.483 #kJ/mol
# Enthalpy of formation: -1254.542 #kJ/mol
-analytic 1.03137E+1 0E+0 -1.12213E+3 0E+0 0E+0
1.000Eu+3 + 3.000F- = EuF3
#-llnl_gamma 3.4
log_k 10.600 #95SPA/BRU
delta_h -8.343 #kJ/mol
# Enthalpy of formation: -1619.717 #kJ/mol
-analytic 9.13837E+0 0E+0 4.35785E+2 0E+0 0E+0
1.000Eu+3 - 1.000H+ + 1.000H4(SiO4) = EuSiO(OH)3+2
#-llnl_gamma 5.7
log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO1
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000B(OH)4- = Fe(B(OH)4)+2
#-llnl_gamma 5.7
log_k 8.580 #80BAS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.58E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 2.000B(OH)4- = Fe(B(OH)4)2+
#-llnl_gamma 4.1
log_k 15.540 #80BAS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.554E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 1.000CO3-2 = Fe(CO3)
#-llnl_gamma 3.4
log_k 5.690 #98KIN in 99CHI3
delta_h -5.764 #kJ/mol
# Enthalpy of formation: -770.994 #kJ/mol
-analytic 4.68019E+0 0E+0 3.01074E+2 0E+0 0E+0
1.000Fe+2 + 2.000CO3-2 = Fe(CO3)2-2
#-llnl_gamma 4.7
log_k 7.450 #98KIN in 99CHI3
delta_h 55.740 #kJ/mol
# Enthalpy of formation: -1384.72 #kJ/mol
-analytic 1.72152E+1 0E+0 -2.9115E+3 0E+0 0E+0
1.000Fe+3 + 3.000CO3-2 = Fe(CO3)3-3
#-llnl_gamma 6.7
log_k 24.240 #05GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.424E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000Cit-3 = Fe(Cit)
#-llnl_gamma 5.5
log_k 12.650 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.265E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Fe(Cit)(OH)-
#-llnl_gamma 5.5
log_k 10.330 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.033E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 1.000Cit-3 = Fe(Cit)-
#-llnl_gamma 5.5
log_k 6.100 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.1E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 - 2.000H+ + 2.000Cit-3 + 2.000H2O = Fe(Cit)2(OH)2-5
#-llnl_gamma 5.5
log_k 3.440 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.44E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 2.000Cit-3 = Fe(Cit)2-3
#-llnl_gamma 5.5
log_k 18.150 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.815E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 6.000Cn- = Fe(Cn)6-3
#-llnl_gamma 6.7
log_k 43.600 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.36E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 6.000Cn- = Fe(Cn)6-4
#-llnl_gamma 9.6
log_k 35.400 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.54E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000Edta-4 = Fe(Edta)-
#-llnl_gamma 5.5
log_k 27.700 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.77E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 1.000Edta-4 = Fe(Edta)-2
#-llnl_gamma 5.5
log_k 16.020 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.602E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 2.000H+ + 1.000Cit-3 = Fe(H2Cit)+
#-llnl_gamma 5.5
log_k 24.700 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.47E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 2.000H+ + 1.000Cit-3 = Fe(H2Cit)+2
#-llnl_gamma 5.5
log_k 30.400 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.04E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 1.000H2(PO4)- = Fe(H2PO4)+
#-llnl_gamma 4.1
log_k 2.690 #USGS original
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.69E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000H2(PO4)- = Fe(H2PO4)+2
#-llnl_gamma 5.7
log_k 5.420 #USGS original
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.42E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 - 1.000H+ + 1.000H4(SiO4) = Fe(H3SiO4)+2
#-llnl_gamma 5.7
log_k 0.360 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.6E-1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 1.000H+ + 1.000Cit-3 = Fe(HCit)
#-llnl_gamma 5.5
log_k 10.020 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.002E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000H+ + 2.000Cit-3 = Fe(HCit)(Cit)-2
#-llnl_gamma 5.5
log_k 19.300 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.93E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000H+ + 1.000Cit-3 = Fe(HCit)+
#-llnl_gamma 5.5
log_k 13.560 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.356E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 2.000H+ + 2.000Cit-3 = Fe(HCit)2-
#-llnl_gamma 5.5
log_k 24.920 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.492E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000H+ + 1.000Edta-4 = Fe(HEdta)
#-llnl_gamma 5.5
log_k 29.200 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.92E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 1.000H+ + 1.000Edta-4 = Fe(HEdta)-
#-llnl_gamma 5.5
log_k 18.300 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 1.000H+ + 1.000Nta-3 = Fe(HNta)
#-llnl_gamma 5.5
log_k 12.300 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.23E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000H+ + 1.000Ox-2 = Fe(HOx)+2
#-llnl_gamma 5.5
log_k 9.300 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.3E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 - 1.000H+ + 1.000H2(PO4)- = Fe(HPO4)
#-llnl_gamma 3.4
log_k -3.610 #USGS original
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.61E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 - 1.000H+ + 1.000H2(PO4)- = Fe(HPO4)+
#-llnl_gamma 4.1
log_k 1.630 #96BOU4
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.63E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 1.000HS- = Fe(HS)+
#-llnl_gamma 4.1
log_k 4.340 #04CHI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.34E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 2.000HS- = Fe(HS)2
#-llnl_gamma 3.4
log_k 6.450 #04CHI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.45E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 1.000H+ + 1.000SO4-2 = Fe(HSO4)+
#-llnl_gamma 4.1
log_k 3.070 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.07E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000H+ + 1.000SeO3-2 = Fe(HSeO3)+2
#-llnl_gamma 5.7
log_k 12.350 #01SEB/POT2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.235E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 1.000NH3 = Fe(NH3)+2
#-llnl_gamma 5.7
log_k 1.300 #82SCH
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 2.000NH3 = Fe(NH3)2+2
#-llnl_gamma 5.7
log_k 2.100 #82SCH
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 4.000NH3 = Fe(NH3)4+2
#-llnl_gamma 5.7
log_k 3.600 #82SCH
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.6E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000NO3- = Fe(NO3)+2
#-llnl_gamma 5.7
log_k 0.950 #HATCHES 8.0 1996
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.5E-1 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000Nta-3 = Fe(Nta)
#-llnl_gamma 5.5
log_k 18.600 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.86E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 1.000Nta-3 = Fe(Nta)-
#-llnl_gamma 5.5
log_k 10.600 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.06E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 2.000Nta-3 = Fe(Nta)2-3
#-llnl_gamma 5.5
log_k 27.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.7E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 2.000Nta-3 = Fe(Nta)2-4
#-llnl_gamma 5.5
log_k 13.500 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.35E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Fe(OH)(Cit)-2
#-llnl_gamma 5.5
log_k 1.500 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Fe(OH)(Edta)-2
#-llnl_gamma 5.5
log_k 20.840 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.084E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Fe(OH)(Edta)-3
#-llnl_gamma 5.5
log_k 6.400 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.4E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Fe(OH)(Nta)-
#-llnl_gamma 5.5
log_k 14.600 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Fe(OH)(Nta)-2
#-llnl_gamma 5.5
log_k -0.120 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.2E-1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 - 1.000H+ + 1.000H2O = Fe(OH)+
#-llnl_gamma 4.1
log_k -9.500 #76BAE/MES in 99CHI3
delta_h 55.304 #kJ/mol #76BAE/MES in 99CHI3
# Enthalpy of formation: -320.526 #kJ/mol
-analytic 1.88831E-1 0E+0 -2.88872E+3 0E+0 0E+0
1.000Fe+3 - 1.000H+ + 1.000H2O = Fe(OH)+2
#-llnl_gamma 5.7
log_k -2.190 #76BAE/MES in 98CHI
delta_h 43.514 #kJ/mol #76BAE/MES in 98CHI
# Enthalpy of formation: -291.316 #kJ/mol
-analytic 5.43331E+0 0E+0 -2.27289E+3 0E+0 0E+0
1.000Fe+2 - 2.000H+ + 2.000H2O = Fe(OH)2
#-llnl_gamma 3.4
log_k -20.600 #76BAE/MES in 99CHI3
delta_h 119.662 #kJ/mol #76BAE/MES in 99CHI3
# Enthalpy of formation: -541.998 #kJ/mol
-analytic 3.63852E-1 0E+0 -6.25037E+3 0E+0 0E+0
1.000Fe+3 - 2.000H+ + 1.000Cit-3 + 2.000H2O = Fe(OH)2(Cit)-2
#-llnl_gamma 5.5
log_k 2.900 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Fe(OH)2(Edta)-3
#-llnl_gamma 5.5
log_k 10.060 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.006E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Fe(OH)2(Edta)-4
#-llnl_gamma 5.5
log_k -4.400 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.4E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Fe(OH)2(Nta)-2
#-llnl_gamma 5.5
log_k 6.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 - 2.000H+ + 2.000H2O = Fe(OH)2+
#-llnl_gamma 4.1
log_k -5.670 #76BAE/MES in 98CHI
delta_h 71.546 #kJ/mol #76BAE/MES in 98CHI
# Enthalpy of formation: -549.114 #kJ/mol
-analytic 6.8643E+0 0E+0 -3.7371E+3 0E+0 0E+0
1.000Fe+3 - 3.000H+ + 3.000H2O = Fe(OH)3
#-llnl_gamma 3.4
log_k -12.560 #91PEA/BER in 98CHI
delta_h 103.764 #kJ/mol #91PEA/BER in 98CHI
# Enthalpy of formation: -802.726 #kJ/mol
-analytic 5.61865E+0 0E+0 -5.41996E+3 0E+0 0E+0
1.000Fe+3 - 3.000H+ + 1.000Edta-4 + 3.000H2O = Fe(OH)3(Edta)-4
#-llnl_gamma 5.5
log_k 8.300 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.3E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 - 3.000H+ + 3.000H2O = Fe(OH)3-
#-llnl_gamma 3.6
log_k -31.900 #76BAE/MES in 99CHI3
delta_h 138.072 #kJ/mol #76BAE/MES in 99CHI3
# Enthalpy of formation: -809.418 #kJ/mol
-analytic -7.71086E+0 0E+0 -7.21199E+3 0E+0 0E+0
1.000Fe+3 - 4.000H+ + 4.000H2O = Fe(OH)4-
#-llnl_gamma 3.6
log_k -21.600 #76BAE/MES in 98CHI
delta_h 133.471 #kJ/mol #76BAE/MES in 98CHI
# Enthalpy of formation: -1058.849 #kJ/mol
-analytic 1.78308E+0 0E+0 -6.97167E+3 0E+0 0E+0
1.000Fe+2 - 4.000H+ + 4.000H2O = Fe(OH)4-2
#-llnl_gamma 4.7
log_k -46.000 #76BAE/MES in 99CHI3
delta_h 158.747 #kJ/mol
# Enthalpy of formation: -1074.572 #kJ/mol
-analytic -1.81888E+1 0E+0 -8.29192E+3 0E+0 0E+0
1.000Fe+2 + 1.000Ox-2 = Fe(Ox)
#-llnl_gamma 5.5
log_k 4.100 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.1E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000Ox-2 = Fe(Ox)+
#-llnl_gamma 5.5
log_k 9.530 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.53E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 2.000Ox-2 = Fe(Ox)2-
#-llnl_gamma 5.5
log_k 15.750 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.575E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 2.000Ox-2 = Fe(Ox)2-2
#-llnl_gamma 5.5
log_k 6.200 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.2E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 3.000Ox-2 = Fe(Ox)3-3
#-llnl_gamma 5.5
log_k 20.200 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.02E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 3.000Ox-2 = Fe(Ox)3-4
#-llnl_gamma 5.5
log_k 5.220 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.22E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 1.000SO4-2 = Fe(SO4)
#-llnl_gamma 3.4
log_k 2.200 #91PEA/BER in 98CHI
delta_h 13.514 #kJ/mol #91PEA/BER in 98CHI
# Enthalpy of formation: -985.826 #kJ/mol
-analytic 4.56755E+0 0E+0 -7.05884E+2 0E+0 0E+0
1.000Fe+3 + 1.000SO4-2 = Fe(SO4)+
#-llnl_gamma 4.1
log_k 4.100 #95BOU in 98CHI
delta_h 16.359 #kJ/mol #95BOU in 98CHI
# Enthalpy of formation: -941.981 #kJ/mol
-analytic 6.96597E+0 0E+0 -8.54489E+2 0E+0 0E+0
1.000Fe+3 + 2.000SO4-2 = Fe(SO4)2-
#-llnl_gamma 3.6
log_k 5.400 #91PEA/BER in 98CHI
delta_h 19.248 #kJ/mol #91PEA/BER in 98CHI
# Enthalpy of formation: -1848.432 #kJ/mol
-analytic 8.7721E+0 0E+0 -1.00539E+3 0E+0 0E+0
1.000Fe+3 + 1.000SeO3-2 = Fe(SeO3)+
#-llnl_gamma 4.1
log_k 11.150 #05OLI/NOL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.115E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 1.000SeO4-2 = Fe(SeO4)
#-llnl_gamma 3.4
log_k 2.710 #01SEB/POT2
delta_h -12.602 #kJ/mol
# Enthalpy of formation: -706.102 #kJ/mol
-analytic 5.02228E-1 0E+0 6.58247E+2 0E+0 0E+0
2.000Fe+3 - 2.000H+ + 2.000Cit-3 + 2.000H2O = Fe2(Cit)2(OH)2-2
#-llnl_gamma 5.5
log_k 17.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.7E+1 0E+0 0E+0 0E+0 0E+0
2.000Fe+3 - 2.000H+ + 2.000Edta-4 + 2.000H2O = Fe2(OH)2(Edta)2-4
#-llnl_gamma 5.5
log_k 40.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4E+1 0E+0 0E+0 0E+0 0E+0
2.000Fe+3 - 2.000H+ + 2.000H2O = Fe2(OH)2+4
#-llnl_gamma 11.6
log_k -2.950 #91PEA/BER in 98CHI
delta_h 56.484 #kJ/mol #91PEA/BER in 98CHI
# Enthalpy of formation: -613.176 #kJ/mol
-analytic 6.94556E+0 0E+0 -2.95036E+3 0E+0 0E+0
3.000Fe+3 - 4.000H+ + 4.000H2O = Fe3(OH)4+5
#-llnl_gamma 15.9
log_k -6.300 #76BAE/MES in 98CHI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.3E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000Br- = FeBr+2
#-llnl_gamma 5.7
log_k 0.700 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7E-1 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 2.000Br- = FeBr2+
#-llnl_gamma 4.1
log_k 0.900 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9E-1 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O = FeCO3OH
#-llnl_gamma 3.4
log_k 10.760 #05GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.076E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 - 1.000H+ + 1.000CO3-2 + 1.000H2O = FeCO3OH-
#-llnl_gamma 3.6
log_k -4.030 #98KIN in 99CHI3
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.03E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 1.000Cl- = FeCl+
#-llnl_gamma 4.1
log_k 0.140 #91PEA/BER in 98CHI
delta_h -0.078 #kJ/mol #91PEA/BER in 98CHI
# Enthalpy of formation: -257.158 #kJ/mol
-analytic 1.26335E-1 0E+0 4.07422E+0 0E+0 0E+0
1.000Fe+3 + 1.000Cl- = FeCl+2
#-llnl_gamma 5.7
log_k 1.400 #95BOU in 98CHI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.4E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 2.000Cl- = FeCl2
#-llnl_gamma 3.4
log_k -0.520 #95CHI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.2E-1 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 2.000Cl- = FeCl2+
#-llnl_gamma 4.1
log_k 2.100 #95BOU in 98CHI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 3.000Cl- = FeCl3
#-llnl_gamma 3.4
log_k 1.130 #90NOR/PLU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.13E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 3.000Cl- = FeCl3-
#-llnl_gamma 3.6
log_k 1.020 #95CHI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.02E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 4.000Cl- = FeCl4-
#-llnl_gamma 3.6
log_k -0.790 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -7.9E-1 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000CrO4-2 = FeCrO4+
#-llnl_gamma 4.1
log_k 7.800 #96BAR/PAL
delta_h 19.100 #kJ/mol #96BAR/PAL
# Enthalpy of formation: -908.9 #kJ/mol
-analytic 1.11462E+1 0E+0 -9.97661E+2 0E+0 0E+0
1.000Fe+2 + 1.000F- = FeF+
#-llnl_gamma 4.1
log_k 1.000 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000F- = FeF+2
#-llnl_gamma 5.7
log_k 6.130 #92PEA/BER in 98CHI
delta_h 11.297 #kJ/mol #92PEA/BER in 98CHI
# Enthalpy of formation: -373.053 #kJ/mol
-analytic 8.10915E+0 0E+0 -5.90083E+2 0E+0 0E+0
1.000Fe+3 + 2.000F- = FeF2+
#-llnl_gamma 4.1
log_k 10.800 #92PEA/BER in 98CHI
delta_h 19.665 #kJ/mol #92PEA/BER in 98CHI
# Enthalpy of formation: -700.035 #kJ/mol
-analytic 1.42452E+1 0E+0 -1.02717E+3 0E+0 0E+0
1.000Fe+3 + 3.000F- = FeF3
#-llnl_gamma 3.4
log_k 14.000 #92PEA/BER in 98CHI
delta_h 22.595 #kJ/mol #92PEA/BER in 98CHI
# Enthalpy of formation: -1032.455 #kJ/mol
-analytic 1.79585E+1 0E+0 -1.18022E+3 0E+0 0E+0
1.000Fe+3 + 2.000H+ + 1.000Pyrophos-4 = FeH2Pyrophos+
#-llnl_gamma 4.1
log_k 26.000 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.6E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+2 + 1.000H+ + 1.000CO3-2 = FeHCO3+
#-llnl_gamma 4.1
log_k 11.770 #95CHI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.177E+1 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000H+ + 1.000SO4-2 = FeHSO4+2
#-llnl_gamma 5.7
log_k 4.470 #90NOR/PLU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.47E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000I- = FeI+2
#-llnl_gamma 5.7
log_k 2.100 #96BOU2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000S2O3-2 = FeS2O3+
#-llnl_gamma 4.1
log_k 3.900 #82SCH
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0
1.000Fe+3 + 1.000Scn- = FeScn+2
#-llnl_gamma 5.7
log_k 3.100 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.1E+0 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000Adipate-2 = H(Adipate)-
#-llnl_gamma 5.5
log_k 5.450 #04MAR/SMI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.45E+0 0E+0 0E+0 0E+0 0E+0
- 2.000H+ + 1.000H3(AsO3) = H(AsO3)-2
#-llnl_gamma 4.7
log_k -23.620 #79IVA/VOR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.362E+1 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000AsO4-3 = H(AsO4)-2
#-llnl_gamma 4.7
log_k 11.600
delta_h -18.200 #kJ/mol
# Enthalpy of formation: -906.34 #kJ/mol #09RAN/FUG
-analytic 8.4115E+0 0E+0 9.50651E+2 0E+0 0E+0
1.000H+ + 1.000Cit-3 = H(Cit)-2
#-llnl_gamma 5.5
log_k 6.360 #05HUM/AND
delta_h 3.300 #kJ/mol #05HUM/AND
# Enthalpy of formation: -1516.62 #kJ/mol
-analytic 6.93813E+0 0E+0 -1.72371E+2 0E+0 0E+0
1.000H+ + 1.000Edta-4 = H(Edta)-3
#-llnl_gamma 5.5
log_k 11.240 #05HUM/AND
delta_h -19.800 #kJ/mol #05HUM/AND
# Enthalpy of formation: -1724.6 #kJ/mol
-analytic 7.77119E+0 0E+0 1.03422E+3 0E+0 0E+0
1.000H+ + 1.000Malonate-2 = H(Malonate)-
#-llnl_gamma 5.5
log_k 5.710 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.71E+0 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000Nta-3 = H(Nta)-2
#-llnl_gamma 5.5
log_k 10.280 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.028E+1 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000Ox-2 = H(Ox)-
#-llnl_gamma 5.5
log_k 4.250 #05HUM/AND
delta_h 7.300 #kJ/mol #05HUM/AND
# Enthalpy of formation: -823.36 #kJ/mol
-analytic 5.5289E+0 0E+0 -3.81305E+2 0E+0 0E+0
1.000H+ + 1.000Pyrophos-4 = H(Pyrophos)-3
#-llnl_gamma 6.7
log_k 9.400 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.4E+0 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000S2O3-2 = H(S2O3)-
#-llnl_gamma 3.6
log_k 1.720 #04CHI
delta_h 8.253 #kJ/mol
# Enthalpy of formation: -644.033 #kJ/mol
-analytic 3.16586E+0 0E+0 -4.31084E+2 0E+0 0E+0
1.000H+ + 1.000SO3-2 = H(SO3)-
#-llnl_gamma 3.6
log_k 7.170 #85GOL/PAR
delta_h 3.668 #kJ/mol
# Enthalpy of formation: -627.392 #kJ/mol
-analytic 7.81261E+0 0E+0 -1.91593E+2 0E+0 0E+0
1.000H+ + 1.000SO4-2 = H(SO4)-
#-llnl_gamma 3.6
log_k 1.980
delta_h 22.440 #kJ/mol
# Enthalpy of formation: -886.9 #kJ/mol #92GRE/FUG
-analytic 5.91131E+0 0E+0 -1.17212E+3 0E+0 0E+0
1.000H+ + 1.000SeO3-2 = H(SeO3)-
#-llnl_gamma 3.6
log_k 8.360 #05OLI/NOL
delta_h -5.170 #kJ/mol
# Enthalpy of formation: -512.33 #kJ/mol #05OLI/NOL
-analytic 7.45426E+0 0E+0 2.70048E+2 0E+0 0E+0
1.000H+ + 1.000SeO4-2 = H(SeO4)-
#-llnl_gamma 3.6
log_k 1.750 #05OLI/NOL
delta_h 20.800 #kJ/mol #05OLI/NOL
# Enthalpy of formation: -582.7 #kJ/mol
-analytic 5.394E+0 0E+0 -1.08646E+3 0E+0 0E+0
1.000H+ + 1.000Suberate-2 = H(Suberate)-
#-llnl_gamma 5.5
log_k 5.400 #31GAN/ING
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.4E+0 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000Succinat-2 = H(Succinat)-
#-llnl_gamma 5.5
log_k 5.710 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.71E+0 0E+0 0E+0 0E+0 0E+0
2.000H+ + 1.000Adipate-2 = H2(Adipate)
#-llnl_gamma 5.5
log_k 9.890 #04MAR/SMI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.89E+0 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000H3(AsO3) = H2(AsO3)-
#-llnl_gamma 3.6
log_k -9.220
delta_h 27.410 #kJ/mol
# Enthalpy of formation: -714.79 #kJ/mol #10RAN/FUG
-analytic -4.41798E+0 0E+0 -1.43172E+3 0E+0 0E+0
2.000H+ + 1.000AsO4-3 = H2(AsO4)-
#-llnl_gamma 3.6
log_k 18.370
delta_h -21.420 #kJ/mol
# Enthalpy of formation: -909.56 #kJ/mol #09RAN/FUG
-analytic 1.46174E+1 0E+0 1.11884E+3 0E+0 0E+0
2.000H+ + 1.000Cit-3 = H2(Cit)-
#-llnl_gamma 5.5
log_k 11.140 #05HUM/AND
delta_h 0.900 #kJ/mol #05HUM/AND
# Enthalpy of formation: -1519.02 #kJ/mol
-analytic 1.12977E+1 0E+0 -4.70102E+1 0E+0 0E+0
2.000H+ + 1.000Edta-4 = H2(Edta)-2
#-llnl_gamma 5.5
log_k 18.040 #05HUM/AND
delta_h -35.000 #kJ/mol #05HUM/AND
# Enthalpy of formation: -1739.8 #kJ/mol
-analytic 1.19083E+1 0E+0 1.82817E+3 0E+0 0E+0
2.000H+ + 1.000Malonate-2 = H2(Malonate)
#-llnl_gamma 5.5
log_k 8.670 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.67E+0 0E+0 0E+0 0E+0 0E+0
2.000H+ + 1.000Nta-3 = H2(Nta)-
#-llnl_gamma 5.5
log_k 13.200 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.32E+1 0E+0 0E+0 0E+0 0E+0
2.000H+ + 1.000Ox-2 = H2(Ox)
#-llnl_gamma 5.5
log_k 5.650 #05HUM/AND
delta_h 10.600 #kJ/mol #05HUM/AND
# Enthalpy of formation: -820.06 #kJ/mol
-analytic 7.50704E+0 0E+0 -5.53676E+2 0E+0 0E+0
2.000H+ + 1.000Pyrophos-4 = H2(Pyrophos)-2
#-llnl_gamma 4.7
log_k 16.050 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.605E+1 0E+0 0E+0 0E+0 0E+0
2.000H+ + 1.000S2O3-2 = H2(S2O3)
#-llnl_gamma 3.4
log_k 2.320 #04CHI
delta_h 22.917 #kJ/mol
# Enthalpy of formation: -629.369 #kJ/mol
-analytic 6.33488E+0 0E+0 -1.19704E+3 0E+0 0E+0
2.000H+ + 1.000SO3-2 = H2(SO3)
#-llnl_gamma 3.4
log_k 9.030 #85GOL/PAR
delta_h 21.453 #kJ/mol
# Enthalpy of formation: -609.607 #kJ/mol
-analytic 1.27884E+1 0E+0 -1.12057E+3 0E+0 0E+0
2.000H+ + 1.000SeO3-2 = H2(SeO3)
#-llnl_gamma 3.4
log_k 11.000 #05OLI/NOL
delta_h 1.840 #kJ/mol
# Enthalpy of formation: -505.32 #kJ/mol #05OLI/NOL
-analytic 1.13224E+1 0E+0 -9.61098E+1 0E+0 0E+0
- 2.000H+ + 1.000H4(SiO4) = H2(SiO4)-2
#-llnl_gamma 4.7
log_k -23.140 #92GRE/FUG
delta_h 75.000 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -1386.194 #kJ/mol
-analytic -1.00006E+1 0E+0 -3.91752E+3 0E+0 0E+0
2.000H+ + 1.000Suberate-2 = H2(Suberate)
#-llnl_gamma 5.5
log_k 9.920 #31GAN/ING
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.92E+0 0E+0 0E+0 0E+0 0E+0
2.000H+ + 1.000Succinat-2 = H2(Succinat)
#-llnl_gamma 5.5
log_k 9.950 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.95E+0 0E+0 0E+0 0E+0 0E+0
2.000H+ + 1.000CrO4-2 = H2CrO4
#-llnl_gamma 3.4
log_k 6.320 #76BAE/MES, 04CHI
delta_h 39.596 #kJ/mol
# Enthalpy of formation: -839.404 #kJ/mol
-analytic 1.32569E+1 0E+0 -2.06824E+3 0E+0 0E+0
2.000H+ + 1.000H2(PO4)- + 1.000CrO4-2 - 1.000H2O = H2CrPO7-
#-llnl_gamma 3.6
log_k 9.020
delta_h -51.490 #kJ/mol
# Enthalpy of formation: -1947.26 #kJ/mol #76DEL/HAL
-analytic -6.47544E-4 0E+0 2.68951E+3 0E+0 0E+0
1.000H+ + 1.000HGlu- = H2Glu
#-llnl_gamma 5.5
log_k 3.900 #98ZUB/CAS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000HIsa- = H2Isa
#-llnl_gamma 5.5
log_k 4.000 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4E+0 0E+0 0E+0 0E+0 0E+0
2.000H+ + 1.000MoO4-2 = H2MoO4
#-llnl_gamma 3.4
log_k 8.150 #68SAS/SIL, 64AVE/ANA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.15E+0 0E+0 0E+0 0E+0 0E+0
2.000H+ + 1.000Phthalat-2 = H2Phthalat
#-llnl_gamma 5.5
log_k 8.320 #10RIC/SAB1
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.32E+0 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000HS- = H2S
#-llnl_gamma 3.4
log_k 6.990
delta_h -22.300 #kJ/mol
# Enthalpy of formation: -38.6 #kJ/mol #89COX/WAG
-analytic 3.08321E+0 0E+0 1.16481E+3 0E+0 0E+0
2.000H+ + 1.000S2O4-2 = H2S2O4
#-llnl_gamma 3.4
log_k 2.800 #04CHI
delta_h 20.193 #kJ/mol
# Enthalpy of formation: -733.307 #kJ/mol
-analytic 6.33766E+0 0E+0 -1.05475E+3 0E+0 0E+0
1.000H+ + 1.000HSe- = H2Se
#-llnl_gamma 3.4
log_k 3.850
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: 14.3 #kJ/mol #05OLI/NOL
-analytic 3.85E+0 0E+0 0E+0 0E+0 0E+0
3.000H+ + 1.000AsO4-3 = H3(AsO4)
#-llnl_gamma 3.4
log_k 20.630
delta_h -14.360 #kJ/mol
# Enthalpy of formation: -902.5 #kJ/mol #09RAN/FUG
-analytic 1.81142E+1 0E+0 7.50074E+2 0E+0 0E+0
3.000H+ + 1.000Cit-3 = H3(Cit)
#-llnl_gamma 5.5
log_k 14.270 #05HUM/AND
delta_h -3.600 #kJ/mol #05HUM/AND
# Enthalpy of formation: -1523.52 #kJ/mol
-analytic 1.36393E+1 0E+0 1.88041E+2 0E+0 0E+0
3.000H+ + 1.000Edta-4 = H3(Edta)-
#-llnl_gamma 5.5
log_k 21.190 #05HUM/AND
delta_h -27.900 #kJ/mol #05HUM/AND
# Enthalpy of formation: -1732.7 #kJ/mol
-analytic 1.63021E+1 0E+0 1.45732E+3 0E+0 0E+0
3.000H+ + 1.000Nta-3 = H3(Nta)
#-llnl_gamma 5.5
log_k 15.330 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.533E+1 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000H2(PO4)- = H3(PO4)
#-llnl_gamma 3.4
log_k 2.140 #92GRE/FUG
delta_h 8.480 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -1294.12 #kJ/mol
-analytic 3.62563E+0 0E+0 -4.42941E+2 0E+0 0E+0
3.000H+ + 1.000Pyrophos-4 = H3(Pyrophos)-
#-llnl_gamma 3.6
log_k 18.300 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000H4(SiO4) = H3(SiO4)-
#-llnl_gamma 3.6
log_k -9.840 #06BLA/PIA
delta_h 29.363 #kJ/mol
# Enthalpy of formation: -1431.831 #kJ/mol
-analytic -4.69583E+0 0E+0 -1.53373E+3 0E+0 0E+0
4.000H+ + 1.000Edta-4 = H4(Edta)
#-llnl_gamma 5.5
log_k 23.420 #05HUM/AND
delta_h -26.000 #kJ/mol #05HUM/AND
# Enthalpy of formation: -1730.8 #kJ/mol
-analytic 1.8865E+1 0E+0 1.35807E+3 0E+0 0E+0
4.000H+ + 1.000Nta-3 = H4(Nta)+
#-llnl_gamma 5.5
log_k 16.130 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.613E+1 0E+0 0E+0 0E+0 0E+0
4.000H+ + 1.000Pyrophos-4 = H4(Pyrophos)
#-llnl_gamma 3.4
log_k 19.300 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: -2280.21 #kJ/mol #92GRE/FUG
-analytic 1.93E+1 0E+0 0E+0 0E+0 0E+0
5.000H+ + 1.000Edta-4 = H5(Edta)+
#-llnl_gamma 5.5
log_k 24.720 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.472E+1 0E+0 0E+0 0E+0 0E+0
6.000H+ + 1.000Edta-4 = H6(Edta)+2
#-llnl_gamma 5.5
log_k 24.220 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.422E+1 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000Acetate- = HAcetate
#-llnl_gamma 5.5
log_k 4.760
delta_h 0.250 #kJ/mol
# Enthalpy of formation: -485.76 #kJ/mol #82WAG/EVA
-analytic 4.8038E+0 0E+0 -1.30584E+1 0E+0 0E+0
1.000H+ + 2.000B(OH)4- - 4.000H2O = HB2O4-
#-llnl_gamma 3.6
log_k 9.170 #97CRO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.17E+0 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000CO3-2 = HCO3-
#-llnl_gamma 3.6
log_k 10.330
delta_h -14.700 #kJ/mol
# Enthalpy of formation: -689.93 #kJ/mol #89COX/WAG
-analytic 7.75467E+0 0E+0 7.67833E+2 0E+0 0E+0
1.000H+ + 1.000Cl- = HCl
#-llnl_gamma 3.4
log_k -0.710 #97TAG/ZOT
delta_h -12.298 #kJ/mol
# Enthalpy of formation: -179.377 #kJ/mol
-analytic -2.86451E+0 0E+0 6.42368E+2 0E+0 0E+0
1.000H+ + 1.000CrO4-2 = HCrO4-
#-llnl_gamma 3.6
log_k 6.520 #87PAL/WES, 04CHI
delta_h 6.016 #kJ/mol
# Enthalpy of formation: -872.985 #kJ/mol
-analytic 7.57396E+0 0E+0 -3.14237E+2 0E+0 0E+0
1.000H+ + 1.000H2(PO4)- + 1.000CrO4-2 - 1.000H2O = HCrPO7-2
#-llnl_gamma 4.7
log_k 6.370
delta_h -36.390 #kJ/mol
# Enthalpy of formation: -1932.16 #kJ/mol #76DEL/HEP
-analytic -5.24498E-3 0E+0 1.90078E+3 0E+0 0E+0
1.000H+ + 1.000MoO4-2 = HMoO4-
#-llnl_gamma 3.6
log_k 4.110 #68SAS/SIL, 64AVE/ANA
delta_h 58.576 #kJ/mol #68ARN/SZI in 76BAE/MES
# Enthalpy of formation: -938.424 #kJ/mol
-analytic 1.43721E+1 0E+0 -3.05963E+3 0E+0 0E+0
- 1.000H+ + 1.000H2(PO4)- = HPO4-2
#-llnl_gamma 4.7
log_k -7.210
delta_h 3.600 #kJ/mol
# Enthalpy of formation: -1299 #kJ/mol #89COX/WAG
-analytic -6.57931E+0 0E+0 -1.88041E+2 0E+0 0E+0
1.000H+ + 1.000Phthalat-2 = HPhthalat-
#-llnl_gamma 5.5
log_k 5.340 #10RIC/SAB1
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.34E+0 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000S2O4-2 = HS2O4-
#-llnl_gamma 3.6
log_k 2.500 #04CHI
delta_h 3.818 #kJ/mol
# Enthalpy of formation: -749.683 #kJ/mol
-analytic 3.16888E+0 0E+0 -1.99428E+2 0E+0 0E+0
- 1.000H+ - 2.000e- + 1.000SO4-2 + 1.000H2O = HSO5-
#-llnl_gamma 3.6
log_k -60.210
delta_h 419.540 #kJ/mol
# Enthalpy of formation: -775.63 #kJ/mol #88SHO/HEL
-analytic 1.32901E+1 0E+0 -2.19141E+4 0E+0 0E+0
4.000CO3-2 + 1.000Hf+4 = Hf(CO3)4-4
#-llnl_gamma 9.6
log_k 42.900 #analogy with Zr
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.29E+1 0E+0 0E+0 0E+0 0E+0
2.000NO3- + 1.000Hf+4 = Hf(NO3)2+2
#-llnl_gamma 5.7
log_k 2.490 #65DES/KHO recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.49E+0 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000Hf+4 + 1.000H2O = Hf(OH)+3
#-llnl_gamma 8.2
log_k -0.200 #01RAI/XIA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2E-1 0E+0 0E+0 0E+0 0E+0
- 4.000H+ + 1.000Hf+4 + 4.000H2O = Hf(OH)4
#-llnl_gamma 3.4
log_k -11.200 #01RAI/XIA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.12E+1 0E+0 0E+0 0E+0 0E+0
- 5.000H+ + 1.000Hf+4 + 5.000H2O = Hf(OH)5-
#-llnl_gamma 3.6
log_k -20.300 #01RAI/XIA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.03E+1 0E+0 0E+0 0E+0 0E+0
- 6.000H+ + 1.000Hf+4 + 6.000H2O = Hf(OH)6-2
#-llnl_gamma 4.7
log_k -32.800 #01RAI/XIA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.28E+1 0E+0 0E+0 0E+0 0E+0
2.000SO4-2 + 1.000Hf+4 = Hf(SO4)2
#-llnl_gamma 3.4
log_k 10.110 #65DES/KHO recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.011E+1 0E+0 0E+0 0E+0 0E+0
1.000Br- + 1.000Hf+4 = HfBr+3
#-llnl_gamma 8.2
log_k 0.380 #67HAL/POH recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.8E-1 0E+0 0E+0 0E+0 0E+0
1.000Cl- + 1.000Hf+4 = HfCl+3
#-llnl_gamma 8.2
log_k 2.200 #65DES/KHO and others recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0
2.000Cl- + 1.000Hf+4 = HfCl2+2
#-llnl_gamma 5.7
log_k 2.050 #65DES/KHO and others recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.05E+0 0E+0 0E+0 0E+0 0E+0
1.000F- + 1.000Hf+4 = HfF+3
#-llnl_gamma 8.2
log_k 9.290 #05SAW/THA and others recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.29E+0 0E+0 0E+0 0E+0 0E+0
2.000F- + 1.000Hf+4 = HfF2+2
#-llnl_gamma 5.7
log_k 17.850 #05SAW/THA and others recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.785E+1 0E+0 0E+0 0E+0 0E+0
3.000F- + 1.000Hf+4 = HfF3+
#-llnl_gamma 4.1
log_k 25.080 #05SAW/THA and others recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.508E+1 0E+0 0E+0 0E+0 0E+0
4.000F- + 1.000Hf+4 = HfF4
#-llnl_gamma 3.4
log_k 31.410 #05SAW/THA and others recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.141E+1 0E+0 0E+0 0E+0 0E+0
1.000I- + 1.000Hf+4 = HfI+3
#-llnl_gamma 8.2
log_k 0.020 #67HAL/POH recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2E-2 0E+0 0E+0 0E+0 0E+0
1.000NO3- + 1.000Hf+4 = HfNO3+3
#-llnl_gamma 8.2
log_k 1.850 #65DES/KHO 69HAL/SMO recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.85E+0 0E+0 0E+0 0E+0 0E+0
1.000SO4-2 + 1.000Hf+4 = HfSO4+2
#-llnl_gamma 5.7
log_k 6.060 #65DES/KHO recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.06E+0 0E+0 0E+0 0E+0 0E+0
1.000Ho+3 + 1.000CO3-2 = Ho(CO3)+
#-llnl_gamma 4.1
log_k 8.000 #95SPA/BRU
delta_h 168.557 #kJ/mol
# Enthalpy of formation: -1213.716 #kJ/mol
-analytic 3.75299E+1 0E+0 -8.80433E+3 0E+0 0E+0
1.000Ho+3 + 2.000CO3-2 = Ho(CO3)2-
#-llnl_gamma 3.6
log_k 13.300 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.33E+1 0E+0 0E+0 0E+0 0E+0
1.000Ho+3 + 3.000CO3-2 = Ho(CO3)3-3
#-llnl_gamma 6.7
log_k 14.800 #05VER/VIT2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0
1.000Ho+3 + 1.000H2(PO4)- = Ho(H2PO4)+2
#-llnl_gamma 5.7
log_k 2.300 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000Ho+3 + 1.000CO3-2 = Ho(HCO3)+2
#-llnl_gamma 5.7
log_k 12.500 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.25E+1 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000Ho+3 + 1.000H2(PO4)- = Ho(HPO4)+
#-llnl_gamma 4.1
log_k -1.410 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.41E+0 0E+0 0E+0 0E+0 0E+0
- 2.000H+ + 1.000Ho+3 + 2.000H2(PO4)- = Ho(HPO4)2-
#-llnl_gamma 3.6
log_k -4.520 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.52E+0 0E+0 0E+0 0E+0 0E+0
1.000Ho+3 + 1.000NO3- = Ho(NO3)+2
#-llnl_gamma 5.7
log_k 0.500 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5E-1 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000Ho+3 + 1.000H2O = Ho(OH)+2
#-llnl_gamma 5.7
log_k -7.900 #95SPA/BRU
delta_h 79.900 #kJ/mol
# Enthalpy of formation: -912.972 #kJ/mol
-analytic 6.09786E+0 0E+0 -4.17346E+3 0E+0 0E+0
- 2.000H+ + 1.000Ho+3 + 2.000H2O = Ho(OH)2+
#-llnl_gamma 4.1
log_k -15.700 #07NEC/ALT2
delta_h 143.847 #kJ/mol
# Enthalpy of formation: -1134.855 #kJ/mol
-analytic 9.50088E+0 0E+0 -7.51364E+3 0E+0 0E+0
- 3.000H+ + 1.000Ho+3 + 3.000H2O = Ho(OH)3
#-llnl_gamma 3.4
log_k -26.200 #07NEC/ALT2
delta_h 226.067 #kJ/mol
# Enthalpy of formation: -1338.464 #kJ/mol
-analytic 1.34052E+1 0E+0 -1.18083E+4 0E+0 0E+0
- 4.000H+ + 1.000Ho+3 + 4.000H2O = Ho(OH)4-
#-llnl_gamma 3.6
log_k -40.700 #07NEC/ALT2
delta_h 295.819 #kJ/mol
# Enthalpy of formation: -1554.542 #kJ/mol
-analytic 1.11252E+1 0E+0 -1.54517E+4 0E+0 0E+0
- 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- = Ho(PO4)
#-llnl_gamma 3.4
log_k -6.960 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.96E+0 0E+0 0E+0 0E+0 0E+0
- 4.000H+ + 1.000Ho+3 + 2.000H2(PO4)- = Ho(PO4)2-3
#-llnl_gamma 6.7
log_k -17.820 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.782E+1 0E+0 0E+0 0E+0 0E+0
1.000Ho+3 + 1.000SO4-2 = Ho(SO4)+
#-llnl_gamma 4.1
log_k 3.400 #95SPA/BRU
delta_h 15.384 #kJ/mol
# Enthalpy of formation: -1600.998 #kJ/mol
-analytic 6.09516E+0 0E+0 -8.03561E+2 0E+0 0E+0
1.000Ho+3 + 2.000SO4-2 = Ho(SO4)2-
#-llnl_gamma 3.6
log_k 4.900 #95SPA/BRU
delta_h 23.668 #kJ/mol
# Enthalpy of formation: -2502.054 #kJ/mol
-analytic 9.04645E+0 0E+0 -1.23626E+3 0E+0 0E+0
1.000Ho+3 + 1.000Cl- = HoCl+2
#-llnl_gamma 5.7
log_k 0.740 #Original data from 01LUO/BYR and 04LUO/BYR
delta_h 22.013 #kJ/mol
# Enthalpy of formation: -852.109 #kJ/mol
-analytic 4.59651E+0 0E+0 -1.14982E+3 0E+0 0E+0
1.000Ho+3 + 2.000Cl- = HoCl2+
#-llnl_gamma 4.1
log_k -0.290 #81TUR/WHI
delta_h 36.357 #kJ/mol
# Enthalpy of formation: -1004.844 #kJ/mol
-analytic 6.07946E+0 0E+0 -1.89906E+3 0E+0 0E+0
1.000Ho+3 + 1.000F- = HoF+2
#-llnl_gamma 5.7
log_k 4.330 #07LUO/BYR
delta_h 25.761 #kJ/mol
# Enthalpy of formation: -1016.631 #kJ/mol
-analytic 8.84313E+0 0E+0 -1.34559E+3 0E+0 0E+0
1.000Ho+3 + 2.000F- = HoF2+
#-llnl_gamma 4.1
log_k 6.520 #Original data from 99SCH/BYR and 04LUO/BYR
delta_h 21.110 #kJ/mol #04LUO/MIL
# Enthalpy of formation: -1356.632 #kJ/mol
-analytic 1.02183E+1 0E+0 -1.10265E+3 0E+0 0E+0
- 1.000H+ + 1.000Ho+3 + 1.000H4(SiO4) = HoSiO(OH)3+2
#-llnl_gamma 5.7
log_k -2.620 #Original data from 07THA/SIN and 96JEN/CHO1
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0
- 2.000e- + 3.000I- = I3-
#-llnl_gamma 3.6
log_k -18.170
delta_h 118.877 #kJ/mol
# Enthalpy of formation: -51.463 #kJ/mol #92JOH/OEL
-analytic 2.65633E+0 0E+0 -6.20937E+3 0E+0 0E+0
- 2.000e- + 2.000Cl- + 1.000I- = ICl2-
#-llnl_gamma 3.6
log_k -26.800 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.68E+1 0E+0 0E+0 0E+0 0E+0
- 2.000H+ - 2.000e- + 1.000I- + 1.000H2O = IO-
#-llnl_gamma 3.6
log_k -44.000 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.4E+1 0E+0 0E+0 0E+0 0E+0
- 8.000H+ - 8.000e- + 1.000I- + 4.000H2O = IO4-
#-llnl_gamma 3.6
log_k -164.980
delta_h 1048.639 #kJ/mol
# Enthalpy of formation: -151.461 #kJ/mol #92JOH/OEL
-analytic 1.87334E+1 0E+0 -5.47741E+4 0E+0 0E+0
1.000K+ + 1.000Edta-4 = K(Edta)-3
#-llnl_gamma 5.5
log_k 1.800 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0
1.000K+ + 1.000H+ + 1.000Nta-3 = K(HNta)-
#-llnl_gamma 5.5
log_k 10.300 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.03E+1 0E+0 0E+0 0E+0 0E+0
1.000K+ - 1.000H+ + 1.000H2(PO4)- = K(HPO4)-
#-llnl_gamma 3.6
log_k -6.400 #97MAR/SMI
delta_h 31.589 #kJ/mol #97MAR/SMI
# Enthalpy of formation: -1523.151 #kJ/mol
-analytic -8.65853E-1 0E+0 -1.65001E+3 0E+0 0E+0
1.000K+ + 1.000IO3- = K(IO3)
#-llnl_gamma 3.4
log_k 0.020 #estimation NEA87 08/2/95
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2E-2 0E+0 0E+0 0E+0 0E+0
1.000K+ + 1.000NO3- = K(NO3)
#-llnl_gamma 3.4
log_k -0.150 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.5E-1 0E+0 0E+0 0E+0 0E+0
1.000K+ + 1.000Nta-3 = K(Nta)-2
#-llnl_gamma 5.5
log_k 1.300 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0
1.000K+ - 1.000H+ + 1.000H2O = K(OH)
#-llnl_gamma 3.4
log_k -14.460 #76BAE/MES
delta_h 66.438 #kJ/mol
# Enthalpy of formation: -471.532 #kJ/mol
-analytic -2.82058E+0 0E+0 -3.47029E+3 0E+0 0E+0
1.000K+ + 1.000Pyrophos-4 = K(Pyrophos)-3
#-llnl_gamma 6.7
log_k 2.100 #76MAR/SMI
delta_h 7.113 #kJ/mol #76MAR/SMI
# Enthalpy of formation: #kJ/mol
-analytic 3.34614E+0 0E+0 -3.71537E+2 0E+0 0E+0
1.000K+ + 1.000SO4-2 = K(SO4)-
#-llnl_gamma 3.6
log_k 0.880 #97SVE/SHO
delta_h 2.949 #kJ/mol
# Enthalpy of formation: -1158.53 #kJ/mol
-analytic 1.39664E+0 0E+0 -1.54037E+2 0E+0 0E+0
1.000K+ + 1.000Al+3 - 4.000H+ + 4.000H2O = KAl(OH)4
#-llnl_gamma 3.4
log_k -24.220
delta_h 211.675 #kJ/mol
# Enthalpy of formation: -1722.185 #kJ/mol #97POK/HEL2
-analytic 1.28638E+1 0E+0 -1.10565E+4 0E+0 0E+0
1.000K+ + 1.000Cl- = KCl
#-llnl_gamma 3.4
log_k -0.500 #97MAR/SMI
delta_h 4.184 #kJ/mol #97MAR/SMI
# Enthalpy of formation: -415.036 #kJ/mol
-analytic 2.33004E-1 0E+0 -2.18545E+2 0E+0 0E+0
1.000K+ + 1.000H2(PO4)- = KH2PO4
#-llnl_gamma 3.4
log_k 0.440 #97MAR/SMI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.4E-1 0E+0 0E+0 0E+0 0E+0
1.000K+ + 1.000I- = KI
#-llnl_gamma 3.4
log_k -1.570
delta_h 9.011 #kJ/mol
# Enthalpy of formation: -299.909 #kJ/mol #92JOH/OEL
-analytic 8.65712E-3 0E+0 -4.70677E+2 0E+0 0E+0
1.000K+ - 2.000H+ + 1.000H2(PO4)- = KPO4-2
#-llnl_gamma 4.7
log_k -18.260 #97MAR/SMI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.826E+1 0E+0 0E+0 0E+0 0E+0
1.000Mg+2 + 1.000CO3-2 = Mg(CO3)
#-llnl_gamma 3.4
log_k 2.980 #97SVE/SHO
delta_h 8.810 #kJ/mol
# Enthalpy of formation: -1133.42 #kJ/mol
-analytic 4.52344E+0 0E+0 -4.60178E+2 0E+0 0E+0
1.000Mg+2 + 1.000Cit-3 = Mg(Cit)-
#-llnl_gamma 5.5
log_k 4.810 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.81E+0 0E+0 0E+0 0E+0 0E+0
1.000Mg+2 + 1.000Edta-4 = Mg(Edta)-2
#-llnl_gamma 5.5
log_k 10.900 #05HUM/AND
delta_h 19.800 #kJ/mol #05HUM/AND
# Enthalpy of formation: -2152 #kJ/mol
-analytic 1.43688E+1 0E+0 -1.03422E+3 0E+0 0E+0
1.000Mg+2 + 2.000H+ + 1.000Cit-3 = Mg(H2Cit)+
#-llnl_gamma 5.5
log_k 12.450 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.245E+1 0E+0 0E+0 0E+0 0E+0
1.000Mg+2 + 1.000H2(PO4)- = Mg(H2PO4)+
#-llnl_gamma 4.1
log_k 1.170 #81TUR/WHI
delta_h 13.514 #kJ/mol #96BOU1
# Enthalpy of formation: -1756.086 #kJ/mol
-analytic 3.53755E+0 0E+0 -7.05884E+2 0E+0 0E+0
1.000Mg+2 - 1.000H+ + 1.000H4(SiO4) = Mg(H3SiO4)+
#-llnl_gamma 4.1
log_k -8.580 #97SVE/SHO
delta_h 27.114 #kJ/mol
# Enthalpy of formation: -1901.08 #kJ/mol
-analytic -3.82984E+0 0E+0 -1.41626E+3 0E+0 0E+0
1.000Mg+2 + 1.000H+ + 1.000CO3-2 = Mg(HCO3)+
#-llnl_gamma 4.1
log_k 11.370 #95SHO/KOR
delta_h -12.888 #kJ/mol
# Enthalpy of formation: -1155.118 #kJ/mol
-analytic 9.11212E+0 0E+0 6.73186E+2 0E+0 0E+0
1.000Mg+2 + 1.000H+ + 1.000Cit-3 = Mg(HCit)
#-llnl_gamma 5.5
log_k 8.960 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.96E+0 0E+0 0E+0 0E+0 0E+0
1.000Mg+2 + 1.000H+ + 1.000Edta-4 = Mg(HEdta)-
#-llnl_gamma 5.5
log_k 15.400 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.54E+1 0E+0 0E+0 0E+0 0E+0
1.000Mg+2 + 1.000H+ + 1.000Malonate-2 = Mg(HMalonate)+
#-llnl_gamma 5.5
log_k 7.050 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7.05E+0 0E+0 0E+0 0E+0 0E+0
1.000Mg+2 - 1.000H+ + 1.000H2(PO4)- = Mg(HPO4)
#-llnl_gamma 3.4
log_k -4.300 #76SMI/MAR
delta_h 16.152 #kJ/mol #76SMI/MAR
# Enthalpy of formation: -1753.448 #kJ/mol
-analytic -1.4703E+0 0E+0 -8.43676E+2 0E+0 0E+0
1.000Mg+2 + 1.000H+ + 1.000Succinat-2 = Mg(HSuccinat)+
#-llnl_gamma 5.5
log_k 6.720 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.72E+0 0E+0 0E+0 0E+0 0E+0
1.000Mg+2 + 1.000IO3- = Mg(IO3)+
#-llnl_gamma 4.1
log_k 0.700 #estimation NEA87 08/2/95 ;
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7E-1 0E+0 0E+0 0E+0 0E+0
1.000Mg+2 + 1.000Malonate-2 = Mg(Malonate)
#-llnl_gamma 5.5
log_k 2.860 #76KLA/OST
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.86E+0 0E+0 0E+0 0E+0 0E+0
1.000Mg+2 + 1.000NH3 = Mg(NH3)+2
#-llnl_gamma 5.7
log_k 0.100
delta_h 0.022 #kJ/mol
# Enthalpy of formation: -548.148 #kJ/mol #03-91 MINTEQL-PSI
-analytic 1.03854E-1 0E+0 -1.14914E+0 0E+0 0E+0
1.000Mg+2 + 3.000NH3 = Mg(NH3)3+2
#-llnl_gamma 5.7
log_k -0.300
delta_h 0.066 #kJ/mol
# Enthalpy of formation: -710.444 #kJ/mol #03-91 MINTEQL-PSI
-analytic -2.88437E-1 0E+0 -3.44742E+0 0E+0 0E+0
1.000Mg+2 + 4.000NH3 = Mg(NH3)4+2
#-llnl_gamma 5.7
log_k -1.000
delta_h 0.088 #kJ/mol
# Enthalpy of formation: -791.592 #kJ/mol #03-91 MINTEQL-PSI
-analytic -9.84583E-1 0E+0 -4.59655E+0 0E+0 0E+0
1.000Mg+2 + 1.000Nta-3 = Mg(Nta)-
#-llnl_gamma 5.5
log_k 6.790 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0
1.000Mg+2 - 1.000H+ + 1.000H2O = Mg(OH)+
#-llnl_gamma 4.1
log_k -11.680 #97SHO/SAS2
delta_h 62.834 #kJ/mol
# Enthalpy of formation: -689.995 #kJ/mol
-analytic -6.71972E-1 0E+0 -3.28204E+3 0E+0 0E+0
1.000Mg+2 + 1.000Ox-2 = Mg(Ox)
#-llnl_gamma 5.5
log_k 3.560 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.56E+0 0E+0 0E+0 0E+0 0E+0
1.000Mg+2 + 2.000Ox-2 = Mg(Ox)2-2
#-llnl_gamma 5.5
log_k 5.170 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.17E+0 0E+0 0E+0 0E+0 0E+0
1.000Mg+2 - 2.000H+ + 1.000H2(PO4)- = Mg(PO4)-
#-llnl_gamma 3.6
log_k -14.710 #81TUR/WHI
delta_h 31.170 #kJ/mol #96BOU1
# Enthalpy of formation: -1738.43 #kJ/mol
-analytic -9.24926E+0 0E+0 -1.62812E+3 0E+0 0E+0
1.000Mg+2 + 1.000Pyrophos-4 = Mg(Pyrophos)-2
#-llnl_gamma 4.7
log_k 7.200 #76SMI/MAR
delta_h 12.540 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.39691E+0 0E+0 -6.55009E+2 0E+0 0E+0
1.000Mg+2 + 1.000S2O3-2 = Mg(S2O3)
#-llnl_gamma 3.4
log_k 1.820 #76SMI/MAR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.82E+0 0E+0 0E+0 0E+0 0E+0
1.000Mg+2 + 1.000SO4-2 = Mg(SO4)
#-llnl_gamma 3.4
log_k 2.230 #76SMI/MAR
delta_h 5.858 #kJ/mol #76SMI/MAR
# Enthalpy of formation: -1370.482 #kJ/mol
-analytic 3.25628E+0 0E+0 -3.05984E+2 0E+0 0E+0
1.000Mg+2 + 1.000SeO4-2 = Mg(SeO4)
#-llnl_gamma 3.4
log_k 2.200 #05OLI/NOL
delta_h -6.614 #kJ/mol
# Enthalpy of formation: -1077.114 #kJ/mol
-analytic 1.04128E+0 0E+0 3.45473E+2 0E+0 0E+0
1.000Mg+2 + 1.000Succinat-2 = Mg(Succinat)
#-llnl_gamma 5.5
log_k 2.270 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.27E+0 0E+0 0E+0 0E+0 0E+0
4.000Mg+2 - 4.000H+ + 4.000H2O = Mg4(OH)4+4
#-llnl_gamma 11.6
log_k -39.750 #76BAE/MES
delta_h 229.186 #kJ/mol
# Enthalpy of formation: -2782.132 #kJ/mol
-analytic 4.01605E-1 0E+0 -1.19712E+4 0E+0 0E+0
1.000Mg+2 + 1.000B(OH)4- = MgB(OH)4+
#-llnl_gamma 4.1
log_k 1.600 #97CRO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.6E+0 0E+0 0E+0 0E+0 0E+0
1.000Mg+2 + 1.000Br- = MgBr+
#-llnl_gamma 4.1
log_k -0.140 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.4E-1 0E+0 0E+0 0E+0 0E+0
1.000Mg+2 + 1.000Cl- = MgCl+
#-llnl_gamma 4.1
log_k 0.350 #96BOU1
delta_h -1.728 #kJ/mol
# Enthalpy of formation: -635.808 #kJ/mol
-analytic 4.72678E-2 0E+0 9.02596E+1 0E+0 0E+0
1.000Mg+2 + 1.000F- = MgF+
#-llnl_gamma 4.1
log_k 1.800 #96BOU
delta_h 13.389 #kJ/mol #96BOU
# Enthalpy of formation: -788.961 #kJ/mol
-analytic 4.14565E+0 0E+0 -6.99355E+2 0E+0 0E+0
1.000Mg+2 + 1.000I- = MgI+
#-llnl_gamma 4.1
log_k 0.180 #92JOH/OEL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.8E-1 0E+0 0E+0 0E+0 0E+0
1.000Mg+2 + 2.000I- = MgI2
#-llnl_gamma 3.4
log_k 0.030 #92JOH/OEL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3E-2 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 1.000CO3-2 = Mn(CO3)
#-llnl_gamma 3.4
log_k 6.500 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 1.000H+ + 1.000CO3-2 = Mn(HCO3)+
#-llnl_gamma 4.1
log_k 11.610 #95CHI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.161E+1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 - 1.000H+ + 1.000H2(PO4)- = Mn(HPO4)
#-llnl_gamma 3.4
log_k -3.260 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.26E+0 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 - 2.000H+ + 2.000H2(PO4)- = Mn(HPO4)2-2
#-llnl_gamma 4.7
log_k -9.120 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -9.12E+0 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 1.000IO3- = Mn(IO3)+
#-llnl_gamma 4.1
log_k 0.840 #estimation NEA87 08/2/95
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.4E-1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 2.000IO3- = Mn(IO3)2
#-llnl_gamma 3.4
log_k 0.130 #estimation NEA87 08/2/95
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.3E-1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 1.000NH3 = Mn(NH3)+2
#-llnl_gamma 5.7
log_k 0.700 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7E-1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 2.000NH3 = Mn(NH3)2+2
#-llnl_gamma 5.7
log_k 1.200 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.2E+0 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 1.000NO3- = Mn(NO3)+
#-llnl_gamma 4.1
log_k 0.160 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.6E-1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 2.000NO3- = Mn(NO3)2
#-llnl_gamma 3.4
log_k 0.500 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5E-1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 - 1.000H+ + 1.000H2O = Mn(OH)+
#-llnl_gamma 4.1
log_k -10.590 #95CHI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.059E+1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 - 2.000H+ + 2.000H2O = Mn(OH)2
#-llnl_gamma 3.4
log_k -22.200 #95CHI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.22E+1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 - 3.000H+ + 3.000H2O = Mn(OH)3-
#-llnl_gamma 3.6
log_k -34.800 #95CHI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.48E+1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 - 4.000H+ + 4.000H2O = Mn(OH)4-2
#-llnl_gamma 4.7
log_k -48.300 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/91PEA/BER 11891 EN ; Nagra TR 91-18 (mai 1992, Hatches 3.0) (provient de la base 0391 MINEQL- PSY)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.83E+1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 1.000Pyrophos-4 = Mn(Pyrophos)-2
#-llnl_gamma 4.7
log_k 6.000 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6E+0 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 1.000S2O3-2 = Mn(S2O3)
#-llnl_gamma 3.4
log_k 1.900 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 1.000SO4-2 = Mn(SO4)
#-llnl_gamma 3.4
log_k 2.250 #95CHI
delta_h 14.100 #kJ/mol #95CHI
# Enthalpy of formation: -1116.04 #kJ/mol
-analytic 4.72021E+0 0E+0 -7.36493E+2 0E+0 0E+0
1.000Mn+2 + 1.000Scn- = Mn(Scn)+
#-llnl_gamma 4.1
log_k 1.400 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.4E+0 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 1.000SeO4-2 = Mn(SeO4)
#-llnl_gamma 3.4
log_k 2.430 #05OLI/NOL
delta_h -1.560 #kJ/mol
# Enthalpy of formation: -825.861 #kJ/mol
-analytic 2.1567E+0 0E+0 8.14844E+1 0E+0 0E+0
1.000Mn+2 - 1.000e- = Mn+3
#-llnl_gamma 8.2
log_k -25.510 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.551E+1 0E+0 0E+0 0E+0 0E+0
2.000Mn+2 - 1.000H+ + 1.000H2O = Mn2(OH)+3
#-llnl_gamma 8.2
log_k -10.100 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.01E+1 0E+0 0E+0 0E+0 0E+0
2.000Mn+2 - 3.000H+ + 3.000H2O = Mn2(OH)3+
#-llnl_gamma 4.1
log_k -24.900 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.49E+1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 1.000Br- = MnBr+
#-llnl_gamma 4.1
log_k 0.130 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.3E-1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 1.000Cl- = MnCl+
#-llnl_gamma 4.1
log_k 0.270
delta_h 18.516 #kJ/mol
# Enthalpy of formation: -369.364 #kJ/mol #97SVE/SHO
-analytic 3.51386E+0 0E+0 -9.67157E+2 0E+0 0E+0
1.000Mn+2 + 2.000Cl- = MnCl2
#-llnl_gamma 3.4
log_k 0.250 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.5E-1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 3.000Cl- = MnCl3-
#-llnl_gamma 3.6
log_k -0.310 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.1E-1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 1.000F- = MnF+
#-llnl_gamma 4.1
log_k 0.850 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.5E-1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 2.000F- = MnF2
#-llnl_gamma 3.4
log_k 9.040 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.04E+0 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 3.000F- = MnF3-
#-llnl_gamma 3.6
log_k 11.640 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.164E+1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 4.000F- = MnF4-2
#-llnl_gamma 4.7
log_k 13.400 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 5.000F- = MnF5-3
#-llnl_gamma 6.7
log_k 14.700 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.47E+1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 6.000F- = MnF6-4
#-llnl_gamma 9.6
log_k 15.500 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.55E+1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 + 1.000I- = MnI+
#-llnl_gamma 4.1
log_k 0.230 #92JOH/OEL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.3E-1 0E+0 0E+0 0E+0 0E+0
1.000Mn+2 - 8.000H+ - 5.000e- + 4.000H2O = MnO4-
#-llnl_gamma 3.6
log_k -127.810
delta_h 822.710 #kJ/mol
# Enthalpy of formation: -541.41 #kJ/mol #92JOH/OEL
-analytic 1.63224E+1 0E+0 -4.29731E+4 0E+0 0E+0
1.000Mn+2 - 8.000H+ - 4.000e- + 4.000H2O = MnO4-2
#-llnl_gamma 4.7
log_k -118.430
delta_h 711.416 #kJ/mol
# Enthalpy of formation: -652.704 #kJ/mol #92JOH/OEL
-analytic 6.20455E+0 0E+0 -3.71598E+4 0E+0 0E+0
1.000Mn+2 - 8.000H+ - 3.000e- + 4.000H2O = MnO4-3
#-llnl_gamma 6.7
log_k -113.000 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.13E+2 0E+0 0E+0 0E+0 0E+0
8.000H+ + 3.000e- + 1.000MoO4-2 - 4.000H2O = Mo+3
#-llnl_gamma 8.2
log_k 21.760 #68SAS/SIL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.176E+1 0E+0 0E+0 0E+0 0E+0
34.000H+ + 19.000MoO4-2 - 17.000H2O = Mo19O59-4
#-llnl_gamma 9.6
log_k 196.300 #68SAS/SIL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.963E+2 0E+0 0E+0 0E+0 0E+0
5.000H+ + 2.000MoO4-2 - 2.000H2O = Mo2O5(OH)+
#-llnl_gamma 4.1
log_k 19.000 #68SAS/SIL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.9E+1 0E+0 0E+0 0E+0 0E+0
11.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O21(OH)3-3
#-llnl_gamma 6.7
log_k 66.480 #68SAS/SIL, 64AVE/ANA
delta_h -222.589 #kJ/mol #68ARN/SZI in 76BAE/MES
# Enthalpy of formation: -6058.269 #kJ/mol
-analytic 2.74841E+1 0E+0 1.16266E+4 0E+0 0E+0
10.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O22(OH)2-4
#-llnl_gamma 9.6
log_k 62.710 #68SAS/SIL, 64AVE/ANA
delta_h -220.079 #kJ/mol #68ARN/SZI in 76BAE/MES
# Enthalpy of formation: -6055.759 #kJ/mol
-analytic 2.41539E+1 0E+0 1.14955E+4 0E+0 0E+0
9.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O23(OH)-5
#-llnl_gamma 13.4
log_k 57.210 #68SAS/SIL, 64AVE/ANA
delta_h -223.426 #kJ/mol #68ARN/SZI in 76BAE/MES
# Enthalpy of formation: -6059.106 #kJ/mol
-analytic 1.80675E+1 0E+0 1.16703E+4 0E+0 0E+0
8.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O24-6
#-llnl_gamma 18.1
log_k 50.350 #68SAS/SIL, 64AVE/ANA
delta_h -234.304 #kJ/mol #68ARN/SZI in 76BAE/MES
# Enthalpy of formation: -6069.984 #kJ/mol
-analytic 9.30176E+0 0E+0 1.22385E+4 0E+0 0E+0
1.000H+ + 1.000NH3 = NH4+
#-llnl_gamma 4.1
log_k 9.240
delta_h -52.090 #kJ/mol
# Enthalpy of formation: -133.26 #kJ/mol #92GRE/FUG
-analytic 1.14237E-1 0E+0 2.72085E+3 0E+0 0E+0
1.000Na+ + 1.000CO3-2 = Na(CO3)-
#-llnl_gamma 3.6
log_k 1.270 #90NOR/PLU
delta_h 37.279 #kJ/mol #90NOR/PLU
# Enthalpy of formation: -878.291 #kJ/mol
-analytic 7.80099E+0 0E+0 -1.94721E+3 0E+0 0E+0
1.000Na+ + 1.000Edta-4 = Na(Edta)-3
#-llnl_gamma 5.5
log_k 2.800 #05HUM/AND
delta_h -4.000 #kJ/mol #05HUM/AND
# Enthalpy of formation: -1949.14 #kJ/mol
-analytic 2.09923E+0 0E+0 2.08934E+2 0E+0 0E+0
1.000Na+ + 1.000H+ + 1.000CO3-2 = Na(HCO3)
#-llnl_gamma 3.4
log_k 10.080 #90NOR/PLU
delta_h -26.127 #kJ/mol
# Enthalpy of formation: -941.697 #kJ/mol
-analytic 5.50275E+0 0E+0 1.36471E+3 0E+0 0E+0
1.000Na+ + 1.000H+ + 1.000Nta-3 = Na(HNta)-
#-llnl_gamma 5.5
log_k 10.320 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.032E+1 0E+0 0E+0 0E+0 0E+0
1.000Na+ - 1.000H+ + 1.000H2(PO4)- = Na(HPO4)-
#-llnl_gamma 3.6
log_k -6.340 #97MAR/SMI
delta_h 34.936 #kJ/mol #97MAR/SMI
# Enthalpy of formation: -1508.004 #kJ/mol
-analytic -2.19485E-1 0E+0 -1.82483E+3 0E+0 0E+0
1.000Na+ + 1.000IO3- = Na(IO3)
#-llnl_gamma 3.4
log_k 0.060 #estimation NEA87 08/2/95
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6E-2 0E+0 0E+0 0E+0 0E+0
1.000Na+ + 1.000NO3- = Na(NO3)
#-llnl_gamma 3.4
log_k -0.400 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4E-1 0E+0 0E+0 0E+0 0E+0
1.000Na+ + 1.000Nta-3 = Na(Nta)-2
#-llnl_gamma 5.5
log_k 1.880 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.88E+0 0E+0 0E+0 0E+0 0E+0
1.000Na+ - 1.000H+ + 1.000H2O = Na(OH)
#-llnl_gamma 3.4
log_k -14.750 #95pok/hel
delta_h 53.395 #kJ/mol
# Enthalpy of formation: -472.774 #kJ/mol
-analytic -5.39561E+0 0E+0 -2.78901E+3 0E+0 0E+0
1.000Na+ + 1.000S2O3-2 = Na(S2O3)-
#-llnl_gamma 3.6
log_k 0.610
delta_h 4.656 #kJ/mol
# Enthalpy of formation: -887.97 #kJ/mol #82WAG/EVA
-analytic 1.42569E+0 0E+0 -2.43199E+2 0E+0 0E+0
1.000Na+ + 1.000SO4-2 = Na(SO4)-
#-llnl_gamma 3.6
log_k 0.940 #99cap/hef
delta_h -2.810 #kJ/mol
# Enthalpy of formation: -1152.49 #kJ/mol
-analytic 4.4771E-1 0E+0 1.46776E+2 0E+0 0E+0
2.000Na+ + 1.000Pyrophos-4 = Na2(Pyrophos)-2
#-llnl_gamma 4.7
log_k 2.290 #76SMI/MAR
delta_h 5.858 #kJ/mol #76SMI/MAR
# Enthalpy of formation: #kJ/mol
-analytic 3.31628E+0 0E+0 -3.05984E+2 0E+0 0E+0
1.000Na+ + 1.000Al+3 - 4.000H+ + 4.000H2O = NaAl(OH)4
#-llnl_gamma 3.4
log_k -23.630
delta_h 190.348 #kJ/mol
# Enthalpy of formation: -1731.712 #kJ/mol #95POK/HEL
-analytic 9.71749E+0 0E+0 -9.94255E+3 0E+0 0E+0
1.000Na+ + 1.000B(OH)4- = NaB(OH)4
#-llnl_gamma 3.4
log_k -0.100
delta_h 1.226 #kJ/mol
# Enthalpy of formation: -1584.23 #kJ/mol
-analytic 1.14786E-1 0E+0 -6.40383E+1 0E+0 0E+0
1.000Na+ + 1.000Cl- = NaCl
#-llnl_gamma 3.4
log_k -0.500 #04smi/mar
delta_h 2.000 #kJ/mol #04SMI/MAR
# Enthalpy of formation: -405.42 #kJ/mol
-analytic -1.49616E-1 0E+0 -1.04467E+2 0E+0 0E+0
1.000Na+ + 1.000F- = NaF
#-llnl_gamma 3.4
log_k -0.450 #96BOU
delta_h -12.552 #kJ/mol #96BOU
# Enthalpy of formation: -588.242 #kJ/mol
-analytic -2.64901E+0 0E+0 6.55636E+2 0E+0 0E+0
1.000Na+ + 1.000H2(PO4)- = NaH2PO4
#-llnl_gamma 3.4
log_k 0.410 #97MAR/SMI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.1E-1 0E+0 0E+0 0E+0 0E+0
1.000Na+ + 1.000I- = NaI
#-llnl_gamma 3.4
log_k -1.520
delta_h 7.252 #kJ/mol
# Enthalpy of formation: -289.868 #kJ/mol #92JOH/OEL
-analytic -2.49506E-1 0E+0 -3.78798E+2 0E+0 0E+0
1.000Na+ - 2.000H+ + 1.000H2(PO4)- = NaPO4-2
#-llnl_gamma 4.7
log_k -18.070 #97MAR/SMI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.807E+1 0E+0 0E+0 0E+0 0E+0
3.000H+ + 1.000Nb(OH)6- - 3.000H2O = Nb(OH)3+2
#-llnl_gamma 5.7
log_k 7.500 #97PEI/NGU
delta_h -10.230 #kJ/mol #97PEI/NGU
# Enthalpy of formation: -1078.405 #kJ/mol
-analytic 5.70778E+0 0E+0 5.34349E+2 0E+0 0E+0
2.000H+ + 1.000Nb(OH)6- - 2.000H2O = Nb(OH)4+
#-llnl_gamma 4.1
log_k 6.640 #97PEI/NGU
delta_h -35.350 #kJ/mol #97PEI/NGU
# Enthalpy of formation: -1389.355 #kJ/mol
-analytic 4.46955E-1 0E+0 1.84646E+3 0E+0 0E+0
1.000H+ + 1.000Nb(OH)6- - 1.000H2O = Nb(OH)5
#-llnl_gamma 3.4
log_k 5.080 #97PEI/NGU
delta_h -13.390 #kJ/mol #97PEI/NGU
# Enthalpy of formation: -1653.225 #kJ/mol
-analytic 2.73418E+0 0E+0 6.99407E+2 0E+0 0E+0
- 1.000H+ + 1.000Nb(OH)6- + 1.000H2O = Nb(OH)7-2
#-llnl_gamma 4.7
log_k -8.880 #97PEI/NGU
delta_h 10.170 #kJ/mol #97PEI/NGU
# Enthalpy of formation: -2201.325 #kJ/mol
-analytic -7.0983E+0 0E+0 -5.31215E+2 0E+0 0E+0
5.000H+ + 1.000Nb(OH)6- + 1.000Cit-3 - 4.000H2O = NbO2(H3Cit)+
#-llnl_gamma 5.5
log_k 25.640 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.564E+1 0E+0 0E+0 0E+0 0E+0
3.000H+ + 1.000Nb(OH)6- + 1.000Ox-2 - 4.000H2O = NbO2(HOx)
#-llnl_gamma 5.5
log_k 13.700 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.37E+1 0E+0 0E+0 0E+0 0E+0
4.000H+ + 1.000Nb(OH)6- + 2.000Ox-2 - 4.000H2O = NbO2(HOx)2-
#-llnl_gamma 5.5
log_k 20.960 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.096E+1 0E+0 0E+0 0E+0 0E+0
2.000H+ + 1.000Nb(OH)6- + 1.000Ox-2 - 4.000H2O = NbO2(Ox)-
#-llnl_gamma 5.5
log_k 10.940 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.094E+1 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000Acetate- = Ni(Acetate)+
#-llnl_gamma 5.5
log_k 1.340 #11RIC/GRI
delta_h -8.761 #kJ/mol
# Enthalpy of formation: -549.783 #kJ/mol
-analytic -1.94859E-1 0E+0 4.57618E+2 0E+0 0E+0
1.000Ni+2 + 1.000CO3-2 = Ni(CO3)
#-llnl_gamma 3.4
log_k 4.200 #03BAE/BRA in 05GAM/BUG
delta_h 3.546 #kJ/mol
# Enthalpy of formation: -726.696 #kJ/mol
-analytic 4.82123E+0 0E+0 -1.8522E+2 0E+0 0E+0
1.000Ni+2 + 2.000CO3-2 = Ni(CO3)2-2
#-llnl_gamma 4.7
log_k 6.200 #03BAE/BRA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.2E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000Cit-3 = Ni(Cit)-
#-llnl_gamma 5.5
log_k 6.760 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.76E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 2.000Cit-3 = Ni(Cit)2-4
#-llnl_gamma 5.5
log_k 8.500 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 4.000Cn- = Ni(Cn)4-2
#-llnl_gamma 4.7
log_k 30.200
delta_h -180.700 #kJ/mol #05GAM/BUG
# Enthalpy of formation: 353.688 #kJ/mol
-analytic -1.45723E+0 0E+0 9.4386E+3 0E+0 0E+0
1.000Ni+2 + 5.000Cn- = Ni(Cn)5-3
#-llnl_gamma 6.7
log_k 28.500
delta_h -191.100 #kJ/mol #05GAM/BUG
# Enthalpy of formation: 490.638 #kJ/mol
-analytic -4.97923E+0 0E+0 9.98183E+3 0E+0 0E+0
1.000Ni+2 + 1.000Edta-4 = Ni(Edta)-2
#-llnl_gamma 5.5
log_k 20.540 #05HUM/AND
delta_h -26.100 #kJ/mol #05HUM/AND
# Enthalpy of formation: -1785.912 #kJ/mol
-analytic 1.59675E+1 0E+0 1.3633E+3 0E+0 0E+0
1.000Ni+2 + 2.000H+ + 1.000Cit-3 = Ni(H2Cit)+
#-llnl_gamma 5.5
log_k 13.190 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.319E+1 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000H+ + 1.000CO3-2 = Ni(HCO3)+
#-llnl_gamma 4.1
log_k 11.730 #03BAE/BRA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.173E+1 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000H+ + 1.000Cit-3 = Ni(HCit)
#-llnl_gamma 5.5
log_k 10.520 #05HUM/BER
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.052E+1 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000H+ + 1.000Edta-4 = Ni(HEdta)-
#-llnl_gamma 5.5
log_k 24.200 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.42E+1 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000HIsa- = Ni(HIsa)+
#-llnl_gamma 5.5
log_k 2.800 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 - 1.000H+ + 1.000H2(PO4)- = Ni(HPO4)
#-llnl_gamma 3.4
log_k -4.160 #05GAM/BUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.16E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 2.000HS- = Ni(HS)2
#-llnl_gamma 3.4
log_k 11.100 #02HUM/BER
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.11E+1 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000Malonate-2 = Ni(Malonate)
#-llnl_gamma 5.5
log_k 4.390 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.39E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 2.000Malonate-2 = Ni(Malonate)2-2
#-llnl_gamma 5.5
log_k 8.150 #98KHA/RAD
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.15E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000NH3 = Ni(NH3)+2
#-llnl_gamma 5.7
log_k 2.610 #70LET
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.61E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 2.000NH3 = Ni(NH3)2+2
#-llnl_gamma 5.7
log_k 4.760 #70LET
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.76E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 3.000NH3 = Ni(NH3)3+2
#-llnl_gamma 5.7
log_k 6.790 #70LET
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 4.000NH3 = Ni(NH3)4+2
#-llnl_gamma 5.7
log_k 8.340 #70LET
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.34E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000NO3- = Ni(NO3)+
#-llnl_gamma 4.1
log_k 0.500 #05GAM/BUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5E-1 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 2.000NO3- = Ni(NO3)2
#-llnl_gamma 3.4
log_k -0.600 #76SMI/MAR in 89BAE/McK
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6E-1 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000Nta-3 = Ni(Nta)-
#-llnl_gamma 5.5
log_k 12.750 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.275E+1 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 2.000Nta-3 = Ni(Nta)2-4
#-llnl_gamma 5.5
log_k 16.950 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.695E+1 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Ni(OH)(Nta)-2
#-llnl_gamma 5.5
log_k 1.470 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.47E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 - 1.000H+ + 1.000H2O = Ni(OH)+
#-llnl_gamma 4.1
log_k -9.540 #05GAM/BUG
delta_h 53.800 #kJ/mol #05GAM/BUG
# Enthalpy of formation: -287.042 #kJ/mol
-analytic -1.14658E-1 0E+0 -2.81017E+3 0E+0 0E+0
1.000Ni+2 - 2.000H+ + 2.000H2O = Ni(OH)2
#-llnl_gamma 3.4
log_k -18.000 #49GAY/GAR reevaluated in 05GAM/BUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.8E+1 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 - 3.000H+ + 1.000H2(PO4)- + 2.000H2O = Ni(OH)2(HPO4)-2
#-llnl_gamma 4.7
log_k -23.240 #95LEM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.324E+1 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 - 3.000H+ + 1.000HIsa- + 3.000H2O = Ni(OH)3(HIsa)-2
#-llnl_gamma 5.5
log_k -26.500 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.65E+1 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 - 3.000H+ + 3.000H2O = Ni(OH)3-
#-llnl_gamma 3.6
log_k -29.380 #49GAY/GAR reevaluated in 05GAM/BUG
delta_h 121.200 #kJ/mol #05GAM/BUG
# Enthalpy of formation: -791.302 #kJ/mol
-analytic -8.1467E+0 0E+0 -6.33071E+3 0E+0 0E+0
1.000Ni+2 + 1.000Ox-2 = Ni(Ox)
#-llnl_gamma 5.5
log_k 5.190 #05HUM/AND
# delta_h 0.000 #kJ/mol #05HUM/AND
# Enthalpy of formation: -885.672 #kJ/mol
-analytic 5.19E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 2.000Ox-2 = Ni(Ox)2-2
#-llnl_gamma 5.5
log_k 7.640 #05HUM/AND
delta_h -7.800 #kJ/mol #05HUM/AND
# Enthalpy of formation: -1724.132 #kJ/mol
-analytic 6.2735E+0 0E+0 4.07422E+2 0E+0 0E+0
1.000Ni+2 + 1.000Phthalat-2 = Ni(Phthalat)
#-llnl_gamma 5.5
log_k 3.000 #11GRI/COL3
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000Pyrophos-4 = Ni(Pyrophos)-2
#-llnl_gamma 4.7
log_k 8.730 #05GAM/BUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.73E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000S2O3-2 = Ni(S2O3)
#-llnl_gamma 3.4
log_k 2.060 #51DEU/HEI in 64SIL/MAR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.06E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000SO4-2 = Ni(SO4)
#-llnl_gamma 3.4
log_k 2.350 #05GAM/BUG
delta_h 5.660 #kJ/mol #05GAM/BUG
# Enthalpy of formation: -958.692 #kJ/mol
-analytic 3.34159E+0 0E+0 -2.95642E+2 0E+0 0E+0
1.000Ni+2 + 2.000SO4-2 = Ni(SO4)2-2
#-llnl_gamma 4.7
log_k 3.010 #89BAE/McK
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.01E+0 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000Scn- = Ni(Scn)+
#-llnl_gamma 4.1
log_k 1.810
delta_h -11.800 #kJ/mol #05GAM/BUG
# Enthalpy of formation: 9.588 #kJ/mol
-analytic -2.57268E-1 0E+0 6.16356E+2 0E+0 0E+0
1.000Ni+2 + 2.000Scn- = Ni(Scn)2
#-llnl_gamma 3.4
log_k 2.690
delta_h -21.000 #kJ/mol #05GAM/BUG
# Enthalpy of formation: 76.788 #kJ/mol
-analytic -9.89037E-1 0E+0 1.0969E+3 0E+0 0E+0
1.000Ni+2 + 3.000Scn- = Ni(Scn)3-
#-llnl_gamma 3.6
log_k 3.020
delta_h -29.000 #kJ/mol #05GAM/BUG
# Enthalpy of formation: 145.188 #kJ/mol
-analytic -2.06057E+0 0E+0 1.51477E+3 0E+0 0E+0
1.000Ni+2 - 1.000H+ - 2.000e- + 1.000Cn- + 1.000HSe- = Ni(SeCn)+
#-llnl_gamma 4.1
log_k 14.800
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 - 2.000H+ - 4.000e- + 2.000Cn- + 2.000HSe- = Ni(SeCn)2
#-llnl_gamma 3.4
log_k 28.290
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.829E+1 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000SeO4-2 = Ni(SeO4)
#-llnl_gamma 3.4
log_k 2.670 #05OLI/NOL
delta_h -0.680 #kJ/mol
# Enthalpy of formation: -659.192 #kJ/mol
-analytic 2.55087E+0 0E+0 3.55188E+1 0E+0 0E+0
2.000Ni+2 - 1.000H+ + 1.000H2O = Ni2(OH)+3
#-llnl_gamma 8.2
log_k -10.600 #05GAM/BUG
delta_h 45.900 #kJ/mol #05GAM/BUG
# Enthalpy of formation: -349.954 #kJ/mol
-analytic -2.55868E+0 0E+0 -2.39752E+3 0E+0 0E+0
4.000Ni+2 - 4.000H+ + 4.000H2O = Ni4(OH)4+4
#-llnl_gamma 11.6
log_k -27.520 #05GAM/BUG
delta_h 190.000 #kJ/mol #05GAM/BUG
# Enthalpy of formation: -1173.368 #kJ/mol
-analytic 5.76652E+0 0E+0 -9.92438E+3 0E+0 0E+0
1.000Ni+2 + 1.000Cl- = NiCl+
#-llnl_gamma 4.1
log_k 0.080 #05GAM/BUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8E-2 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000F- = NiF+
#-llnl_gamma 4.1
log_k 1.430 #05GAM/BUG
delta_h 9.500 #kJ/mol #05GAM/BUG
# Enthalpy of formation: -380.862 #kJ/mol
-analytic 3.09433E+0 0E+0 -4.96219E+2 0E+0 0E+0
1.000Ni+2 + 1.000H+ + 1.000AsO4-3 = NiHAsO4
#-llnl_gamma 3.4
log_k 14.500
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.45E+1 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000H+ + 1.000Pyrophos-4 = NiHPyrophos-
#-llnl_gamma 3.6
log_k 14.540 #05GAM/BUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.454E+1 0E+0 0E+0 0E+0 0E+0
1.000Ni+2 + 1.000HS- = NiHS+
#-llnl_gamma 4.1
log_k 5.500 #02HUM/BER
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.5E+0 0E+0 0E+0 0E+0 0E+0
1.000Np+4 + 1.000Acetate- = Np(Acetate)+3
#-llnl_gamma 5.5
log_k 5.830 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.83E+0 0E+0 0E+0 0E+0 0E+0
1.000Np+4 + 2.000Acetate- = Np(Acetate)2+2
#-llnl_gamma 5.5
log_k 10.000 #11RIC/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1E+1 0E+0 0E+0 0E+0 0E+0
1.000Np+4 - 3.000H+ + 1.000CO3-2 + 3.000H2O = Np(CO3)(OH)3-
#-llnl_gamma 3.6
log_k 3.820 #93ERI/NDA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.82E+0 0E+0 0E+0 0E+0 0E+0
1.000Np+3 + 1.000CO3-2 = Np(CO3)+
#-llnl_gamma 4.1
log_k 7.670 #Estimated by correlation with An(III) in function of ionic radii
delta_h 156.368 #kJ/mol
# Enthalpy of formation: -1046.047 #kJ/mol
-analytic 3.50645E+1 0E+0 -8.16766E+3 0E+0 0E+0
1.000Np+3 + 2.000CO3-2 = Np(CO3)2-
#-llnl_gamma 3.6
log_k 12.600 #Estimated by correlation with An(III) in function of ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0
1.000Np+3 + 3.000CO3-2 = Np(CO3)3-3
#-llnl_gamma 6.7
log_k 15.660 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.566E+1 0E+0 0E+0 0E+0 0E+0
1.000Np+4 + 4.000CO3-2 = Np(CO3)4-4
#-llnl_gamma 9.6
log_k 36.680 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.668E+1 0E+0 0E+0 0E+0 0E+0
1.000Np+4 + 5.000CO3-2 = Np(CO3)5-6
#-llnl_gamma 18.1
log_k 35.610 #01LEM/FUG
delta_h -2.193 #kJ/mol
# Enthalpy of formation: -3934.366 #kJ/mol
-analytic 3.52258E+1 0E+0 1.14548E+2 0E+0 0E+0
1.000Np+4 + 1.000Edta-4 = Np(Edta)
#-llnl_gamma 5.5
log_k 31.200 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.12E+1 0E+0 0E+0 0E+0 0E+0
1.000Np+3 + 1.000Edta-4 = Np(Edta)-
#-llnl_gamma 5.5
log_k 19.900 #Recommended in 05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.99E+1 0E+0 0E+0 0E+0 0E+0
1.000Np+3 - 2.000H+ + 2.000H2(PO4)- = Np(HPO4)2-
#-llnl_gamma 3.6
log_k -5.380 #Estimated by correlation with An(III) in function of ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.38E+0 0E+0 0E+0 0E+0 0E+0
1.000Np+4 + 1.000NO3- = Np(NO3)+3
#-llnl_gamma 8.2
log_k 1.900 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0
1.000Np+3 + 1.000Nta-3 = Np(Nta)
#-llnl_gamma 5.5
log_k 13.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0
1.000Np+4 + 1.000Nta-3 = Np(Nta)+
#-llnl_gamma 5.5
log_k 20.700 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.07E+1 0E+0 0E+0 0E+0 0E+0
1.000Np+4 + 2.000Nta-3 = Np(Nta)2-2
#-llnl_gamma 5.5
log_k 36.300 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.63E+1 0E+0 0E+0 0E+0 0E+0
1.000Np+3 - 1.000H+ + 1.000H2O = Np(OH)+2
#-llnl_gamma 5.7
log_k -6.800 #01LEM/FUG
delta_h 77.089 #kJ/mol
# Enthalpy of formation: -735.925 #kJ/mol
-analytic 6.70539E+0 0E+0 -4.02663E+3 0E+0 0E+0
1.000Np+4 - 1.000H+ + 1.000H2O = Np(OH)+3
#-llnl_gamma 8.2
log_k 0.550 #03GUI/FAN
delta_h 37.594 #kJ/mol
# Enthalpy of formation: -804.258 #kJ/mol
-analytic 7.13618E+0 0E+0 -1.96367E+3 0E+0 0E+0
1.000Np+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Np(OH)2(CO3)2-2
#-llnl_gamma 4.7
log_k 15.170 #99RAI/HES2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.517E+1 0E+0 0E+0 0E+0 0E+0
1.000Np+3 - 2.000H+ + 2.000H2O = Np(OH)2+
#-llnl_gamma 4.1
log_k -17.000 #80ALL/KIP
delta_h 155.528 #kJ/mol
# Enthalpy of formation: -943.315 #kJ/mol
-analytic 1.02473E+1 0E+0 -8.12378E+3 0E+0 0E+0
1.000Np+4 - 2.000H+ + 2.000H2O = Np(OH)2+2
#-llnl_gamma 5.7
log_k 0.350 #03GUI/FAN
delta_h 53.932 #kJ/mol
# Enthalpy of formation: -1073.749 #kJ/mol
-analytic 9.79847E+0 0E+0 -2.81706E+3 0E+0 0E+0
1.000Np+3 - 3.000H+ + 3.000H2O = Np(OH)3
#-llnl_gamma 3.4
log_k -27.000 #80ALL/KIP
delta_h 235.822 #kJ/mol
# Enthalpy of formation: -1148.851 #kJ/mol
-analytic 1.43142E+1 0E+0 -1.23178E+4 0E+0 0E+0
1.000Np+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Np(OH)3(HGlu)
#-llnl_gamma 5.5
log_k 3.270 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0
1.000Np+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Np(OH)3(HIsa)
#-llnl_gamma 5.5
log_k 3.270 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0
1.000Np+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Np(OH)3(HIsa)2-
#-llnl_gamma 5.5
log_k 5.380 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.38E+0 0E+0 0E+0 0E+0 0E+0
1.000Np+4 - 3.000H+ + 3.000H2O = Np(OH)3+
#-llnl_gamma 4.1
log_k -2.800 #01NEC/KIM, 99NEC
delta_h 74.333 #kJ/mol
# Enthalpy of formation: -1339.178 #kJ/mol
-analytic 1.02226E+1 0E+0 -3.88268E+3 0E+0 0E+0
1.000Np+4 - 4.000H+ + 4.000H2O = Np(OH)4
#-llnl_gamma 3.4
log_k -8.300 #03GUI/FAN
delta_h 100.844 #kJ/mol
# Enthalpy of formation: -1598.497 #kJ/mol
-analytic 9.36708E+0 0E+0 -5.26744E+3 0E+0 0E+0
1.000Np+4 - 4.000H+ + 1.000CO3-2 + 4.000H2O = Np(OH)4(CO3)-2
#-llnl_gamma 4.7
log_k -6.830 #93ERI/NDA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.83E+0 0E+0 0E+0 0E+0 0E+0
1.000Np+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Np(OH)4(HGlu)-
#-llnl_gamma 5.5
log_k -3.700 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.7E+0 0E+0 0E+0 0E+0 0E+0
1.000Np+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Np(OH)4(HIsa)-
#-llnl_gamma 5.5
log_k -4.060 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.06E+0 0E+0 0E+0 0E+0 0E+0
1.000Np+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Np(OH)4(HIsa)2-2
#-llnl_gamma 5.5
log_k -2.200 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.2E+0 0E+0 0E+0 0E+0 0E+0
1.000Np+4 + 1.000Ox-2 = Np(Ox)+2
#-llnl_gamma 5.5
log_k 11.160 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.116E+1 0E+0 0E+0 0E+0 0E+0
1.000Np+4 + 2.000Ox-2 = Np(Ox)2
#-llnl_gamma 5.5
log_k 19.940 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.994E+1 0E+0 0E+0 0E+0 0E+0
1.000Np+4 + 3.000Ox-2 = Np(Ox)3-2
#-llnl_gamma 5.5
log_k 25.190 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.519E+1 0E+0 0E+0 0E+0 0E+0
1.000Np+3 - 4.000H+ + 2.000H2(PO4)- = Np(PO4)2-3
#-llnl_gamma 6.7
log_k -19.570 #Estimated by correlation with An(III) in function of ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.957E+1 0E+0 0E+0 0E+0 0E+0
1.000Np+3 + 1.000SO4-2 = Np(SO4)+
#-llnl_gamma 4.1
log_k 3.860 #Estimated by correlation with An(III) in function of ionic radii
delta_h 17.889 #kJ/mol
# Enthalpy of formation: -1418.634 #kJ/mol
-analytic 6.99401E+0 0E+0 -9.34406E+2 0E+0 0E+0
1.000Np+4 + 1.000SO4-2 = Np(SO4)+2
#-llnl_gamma 5.7
log_k 6.850 #01LEM/FUG
delta_h 29.840 #kJ/mol #01LEM/FUG
# Enthalpy of formation: -1435.522 #kJ/mol
-analytic 1.20777E+1 0E+0 -1.55865E+3 0E+0 0E+0
1.000Np+4 + 2.000SO4-2 = Np(SO4)2
#-llnl_gamma 3.4
log_k 11.050 #01LEM/FUG
delta_h 55.380 #kJ/mol #01LEM/FUG
# Enthalpy of formation: -2319.322 #kJ/mol
-analytic 2.07521E+1 0E+0 -2.89269E+3 0E+0 0E+0
1.000Np+3 + 2.000SO4-2 = Np(SO4)2-
#-llnl_gamma 3.6
log_k 5.560 #Estimated by correlation with An(III) in function of ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.56E+0 0E+0 0E+0 0E+0 0E+0
1.000Np+4 + 1.000Br- = NpBr+3
#-llnl_gamma 8.2
log_k 1.550 #Estimated by correlation with An(IV) in function of ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.55E+0 0E+0 0E+0 0E+0 0E+0
1.000Np+4 + 1.000Cl- = NpCl+3
#-llnl_gamma 8.2
log_k 1.500 #01LEM/FUG
delta_h 23.576 #kJ/mol
# Enthalpy of formation: -699.526 #kJ/mol
-analytic 5.63033E+0 0E+0 -1.23146E+3 0E+0 0E+0
1.000Np+4 + 1.000F- = NpF+3
#-llnl_gamma 8.2
log_k 8.960 #01LEM/FUG
delta_h 1.500 #kJ/mol #01LEM/FUG
# Enthalpy of formation: -889.872 #kJ/mol
-analytic 9.22279E+0 0E+0 -7.83503E+1 0E+0 0E+0
1.000Np+4 + 2.000F- = NpF2+2
#-llnl_gamma 5.7
log_k 15.700 #01LEM/FUG
delta_h 15.330 #kJ/mol
# Enthalpy of formation: -1211.391 #kJ/mol
-analytic 1.83857E+1 0E+0 -8.0074E+2 0E+0 0E+0
1.000Np+4 + 3.000F- = NpF3+
#-llnl_gamma 4.1
log_k 20.050 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.005E+1 0E+0 0E+0 0E+0 0E+0
1.000Np+4 + 4.000F- = NpF4
#-llnl_gamma 3.4
log_k 25.950 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.595E+1 0E+0 0E+0 0E+0 0E+0
1.000Np+3 - 1.000H+ + 1.000H2(PO4)- = NpHPO4+
#-llnl_gamma 4.1
log_k -1.780 #Estimated by correlation with An(III) in function of ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0
1.000Np+4 + 1.000I- = NpI+3
#-llnl_gamma 8.2
log_k 1.500 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0
1.000NpO2+ + 1.000Acetate- = NpO2(Acetate)
#-llnl_gamma 5.5
log_k 1.320 #11RIC/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.32E+0 0E+0 0E+0 0E+0 0E+0
1.000NpO2+ + 2.000Acetate- = NpO2(Acetate)2-
#-llnl_gamma 5.5
log_k 3.420 #09TAK/TAK
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.42E+0 0E+0 0E+0 0E+0 0E+0
1.000NpO2+ + 3.000Acetate- = NpO2(Acetate)3-2
#-llnl_gamma 5.5
log_k 3.570 #09TAK/TAK
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.57E+0 0E+0 0E+0 0E+0 0E+0
1.000NpO2+2 + 1.000CO3-2 = NpO2(CO3)
#-llnl_gamma 3.4
log_k 9.320 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.32E+0 0E+0 0E+0 0E+0 0E+0
1.000NpO2+2 - 2.000H+ + 1.000CO3-2 + 2.000H2O = NpO2(CO3)(OH)2-2
#-llnl_gamma 4.7
log_k -7.690 #99CHO/BRO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -7.69E+0 0E+0 0E+0 0E+0 0E+0
1.000NpO2+ + 1.000CO3-2 = NpO2(CO3)-
#-llnl_gamma 3.6
log_k 4.960 #01LEM/FUG
delta_h 59.912 #kJ/mol
# Enthalpy of formation: -1593.499 #kJ/mol
-analytic 1.54561E+1 0E+0 -3.12942E+3 0E+0 0E+0
1.000NpO2+2 + 2.000CO3-2 = NpO2(CO3)2-2
#-llnl_gamma 4.7
log_k 16.520 #01LEM/FUG
delta_h 13.750 #kJ/mol
# Enthalpy of formation: -2197.444 #kJ/mol
-analytic 1.89289E+1 0E+0 -7.18211E+2 0E+0 0E+0
1.000NpO2+ + 2.000CO3-2 = NpO2(CO3)2-3
#-llnl_gamma 6.7
log_k 6.530 #01LEM/FUG
delta_h 39.024 #kJ/mol
# Enthalpy of formation: -2289.617 #kJ/mol
-analytic 1.33667E+1 0E+0 -2.03836E+3 0E+0 0E+0
1.000NpO2+ - 1.000H+ + 2.000CO3-2 + 1.000H2O = NpO2(CO3)2OH-4
#-llnl_gamma 9.6
log_k -5.310 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.31E+0 0E+0 0E+0 0E+0 0E+0
1.000NpO2+2 + 3.000CO3-2 = NpO2(CO3)3-4
#-llnl_gamma 9.6
log_k 19.370
delta_h -41.900 #kJ/mol
# Enthalpy of formation: -2928.323 #kJ/mol #01LEM/FUG
-analytic 1.20294E+1 0E+0 2.18859E+3 0E+0 0E+0
1.000NpO2+ + 3.000CO3-2 = NpO2(CO3)3-5
#-llnl_gamma 13.4
log_k 5.500
delta_h -13.249 #kJ/mol
# Enthalpy of formation: -3017.12 #kJ/mol #01LEM/FUG
-analytic 3.17888E+0 0E+0 6.92042E+2 0E+0 0E+0
1.000NpO2+ + 1.000Cit-3 = NpO2(Cit)-2
#-llnl_gamma 5.5
log_k 3.680 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.68E+0 0E+0 0E+0 0E+0 0E+0
1.000NpO2+ + 1.000Edta-4 = NpO2(Edta)-3
#-llnl_gamma 5.5
log_k 9.230 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.23E+0 0E+0 0E+0 0E+0 0E+0
1.000NpO2+ + 2.000H+ + 1.000Edta-4 = NpO2(H2Edta)-
#-llnl_gamma 5.5
log_k 22.510 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.251E+1 0E+0 0E+0 0E+0 0E+0
1.000NpO2+ + 1.000H+ + 1.000Edta-4 = NpO2(HEdta)-2
#-llnl_gamma 5.5
log_k 17.060 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.706E+1 0E+0 0E+0 0E+0 0E+0
1.000NpO2+ + 1.000H+ + 1.000Nta-3 = NpO2(HNta)-
#-llnl_gamma 5.5
log_k 11.700 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.17E+1 0E+0 0E+0 0E+0 0E+0
1.000NpO2+2 - 1.000H+ + 1.000H2(PO4)- = NpO2(HPO4)
#-llnl_gamma 3.4
log_k -1.010 #01LEM/FUG
delta_h 92.195 #kJ/mol
# Enthalpy of formation: -2071.137 #kJ/mol
-analytic 1.51418E+1 0E+0 -4.81567E+3 0E+0 0E+0
1.000NpO2+2 - 2.000H+ + 2.000H2(PO4)- = NpO2(HPO4)2-2
#-llnl_gamma 4.7
log_k -4.920 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.92E+0 0E+0 0E+0 0E+0 0E+0
1.000NpO2+2 + 1.000NO3- = NpO2(NO3)+
#-llnl_gamma 4.1
log_k 0.100 #12GRI/GAR2 in analogy to UO2(NO3)+
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1E-1 0E+0 0E+0 0E+0 0E+0
1.000NpO2+2 + 1.000Nta-3 = NpO2(Nta)-
#-llnl_gamma 5.5
log_k 11.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0
1.000NpO2+ + 1.000Nta-3 = NpO2(Nta)-2
#-llnl_gamma 5.5
log_k 7.460 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7.46E+0 0E+0 0E+0 0E+0 0E+0
1.000NpO2+ - 1.000H+ + 1.000H2O = NpO2(OH)
#-llnl_gamma 3.4
log_k -11.300 #01LEM/FUG
delta_h 64.785 #kJ/mol
# Enthalpy of formation: -1199.226 #kJ/mol
-analytic 4.98281E-2 0E+0 -3.38395E+3 0E+0 0E+0
1.000NpO2+ - 1.000H+ + 1.000Nta-3 + 1.000H2O = NpO2(OH)(Nta)-3
#-llnl_gamma 5.5
log_k -4.700 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.7E+0 0E+0 0E+0 0E+0 0E+0
1.000NpO2+2 - 1.000H+ + 1.000H2O = NpO2(OH)+
#-llnl_gamma 4.1
log_k -5.100 #01LEM/FUG
delta_h 42.956 #kJ/mol
# Enthalpy of formation: -1103.606 #kJ/mol
-analytic 2.42556E+0 0E+0 -2.24374E+3 0E+0 0E+0
1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2
#-llnl_gamma 3.4
log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0
1.000NpO2+ - 2.000H+ + 2.000H2O = NpO2(OH)2-
#-llnl_gamma 3.6
log_k -23.600 #01LEM/FUG
delta_h 118.610 #kJ/mol
# Enthalpy of formation: -1431.23 #kJ/mol
-analytic -2.82045E+0 0E+0 -6.19542E+3 0E+0 0E+0
1.000NpO2+ + 1.000Ox-2 = NpO2(Ox)-
#-llnl_gamma 5.5
log_k 3.900 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0
1.000NpO2+ + 2.000Ox-2 = NpO2(Ox)2-3
#-llnl_gamma 5.5
log_k 5.800 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.8E+0 0E+0 0E+0 0E+0 0E+0
1.000NpO2+2 + 1.000SO4-2 = NpO2(SO4)
#-llnl_gamma 3.4
log_k 3.280 #01LEM/FUG
delta_h 16.700 #kJ/mol #01LEM/FUG
# Enthalpy of formation: -1753.373 #kJ/mol
-analytic 6.20571E+0 0E+0 -8.723E+2 0E+0 0E+0
1.000NpO2+ + 1.000SO4-2 = NpO2(SO4)-
#-llnl_gamma 3.6
log_k 0.440 #01LEM/FUG
delta_h 23.200 #kJ/mol #01LEM/FUG
# Enthalpy of formation: -1864.321 #kJ/mol
-analytic 4.50446E+0 0E+0 -1.21182E+3 0E+0 0E+0
1.000NpO2+2 + 2.000SO4-2 = NpO2(SO4)2-2
#-llnl_gamma 4.7
log_k 4.700 #01LEM/FUG
delta_h 26.000 #kJ/mol #01LEM/FUG
# Enthalpy of formation: -2653.413 #kJ/mol
-analytic 9.255E+0 0E+0 -1.35807E+3 0E+0 0E+0
1.000NpO2+ + 1.000Cl- = NpO2Cl
#-llnl_gamma 3.4
log_k -0.930 #94NEC/KIM
delta_h 25.971 #kJ/mol
# Enthalpy of formation: -1119.289 #kJ/mol
-analytic 3.61992E+0 0E+0 -1.35656E+3 0E+0 0E+0
1.000NpO2+2 + 1.000Cl- = NpO2Cl+
#-llnl_gamma 4.1
log_k 0.400 #01LEM/FUG
delta_h 8.387 #kJ/mol
# Enthalpy of formation: -1019.426 #kJ/mol
-analytic 1.86934E+0 0E+0 -4.38083E+2 0E+0 0E+0
1.000NpO2+ + 1.000F- = NpO2F
#-llnl_gamma 3.4
log_k 1.200 #01LEM/FUG
delta_h 40.766 #kJ/mol
# Enthalpy of formation: -1272.764 #kJ/mol
-analytic 8.34189E+0 0E+0 -2.12935E+3 0E+0 0E+0
1.000NpO2+2 + 1.000F- = NpO2F+
#-llnl_gamma 4.1
log_k 4.570 #01LEM/FUG
delta_h 1.400 #kJ/mol
# Enthalpy of formation: -1194.682 #kJ/mol
-analytic 4.81527E+0 0E+0 -7.3127E+1 0E+0 0E+0
1.000NpO2+2 + 2.000F- = NpO2F2
#-llnl_gamma 3.4
log_k 7.600 #01LEM/FUG
delta_h 4.320 #kJ/mol
# Enthalpy of formation: -1527.113 #kJ/mol
-analytic 8.35683E+0 0E+0 -2.25649E+2 0E+0 0E+0
1.000NpO2+2 + 1.000H2(PO4)- = NpO2H2PO4+
#-llnl_gamma 4.1
log_k 3.320 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.32E+0 0E+0 0E+0 0E+0 0E+0
1.000NpO2+ - 1.000H+ + 1.000H2(PO4)- = NpO2HPO4-
#-llnl_gamma 3.6
log_k -4.260 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.26E+0 0E+0 0E+0 0E+0 0E+0
1.000Np+3 - 2.000H+ + 1.000H2(PO4)- = NpPO4
#-llnl_gamma 3.4
log_k -7.830 #Estimated by correlation with An(III) in function of ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -7.83E+0 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000H2O = OH-
#-llnl_gamma 3.6
log_k -14.000
delta_h 55.815 #kJ/mol
# Enthalpy of formation: -230.015 #kJ/mol #89COX/WAG
-analytic -4.22165E+0 0E+0 -2.91542E+3 0E+0 0E+0
- 2.000H+ + 1.000H2(PO4)- = PO4-3
#-llnl_gamma 6.7
log_k -19.560 #89COX/WAG
delta_h 18.200 #kJ/mol
# Enthalpy of formation: -1284.4 #kJ/mol #89COX/WAG
-analytic -1.63715E+1 0E+0 -9.50651E+2 0E+0 0E+0
- 1.000H+ + 1.000Pa+4 + 1.000H2O = Pa(OH)+3
#-llnl_gamma 8.2
log_k 0.840 #76BAE/MES
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.4E-1 0E+0 0E+0 0E+0 0E+0
- 2.000H+ + 1.000Pa+4 + 2.000H2O = Pa(OH)2+2
#-llnl_gamma 5.7
log_k -0.020 #76BAE/MES
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2E-2 0E+0 0E+0 0E+0 0E+0
- 3.000H+ + 1.000Pa+4 + 3.000H2O = Pa(OH)3+
#-llnl_gamma 4.1
log_k -1.500 #76BAE/MES
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000PaO2+ = PaO(OH)+2
#-llnl_gamma 5.7
log_k 1.250 #Original data 03TRU/LEN and 04FOU/PER
delta_h -5.700 #kJ/mol #03TRU/LEN
# Enthalpy of formation: #kJ/mol
-analytic 2.51404E-1 0E+0 2.97731E+2 0E+0 0E+0
2.000H+ + 1.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)+
#-llnl_gamma 4.1
log_k 5.130 #07GIA/TRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.13E+0 0E+0 0E+0 0E+0 0E+0
2.000H+ + 2.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)2-
#-llnl_gamma 3.6
log_k 8.240 #07GIA/TRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.24E+0 0E+0 0E+0 0E+0 0E+0
2.000H+ + 3.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)3-3
#-llnl_gamma 6.7
log_k 9.830 #07GIA/TRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.83E+0 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000PaO2+ + 1.000H2O = PaO2(OH)
#-llnl_gamma 3.4
log_k -7.000 #Original data 03TRU/LEN and 04FOU/PER
delta_h 61.000 #kJ/mol #03TRU/LEN
# Enthalpy of formation: #kJ/mol
-analytic 3.68673E+0 0E+0 -3.18625E+3 0E+0 0E+0
- 2.000H+ + 1.000PaO2+ + 2.000H2O = PaO2(OH)2-
#-llnl_gamma 3.6
log_k -16.400 #04FOU/PER
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.64E+1 0E+0 0E+0 0E+0 0E+0
1.000Pb+2 + 1.000B(OH)4- = Pb(B(OH)4)+
#-llnl_gamma 4.1
log_k 5.200 #80BAS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.2E+0 0E+0 0E+0 0E+0 0E+0
1.000Pb+2 + 3.000B(OH)4- = Pb(B(OH)4)3-
#-llnl_gamma 3.6
log_k 11.180 #80BAS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.118E+1 0E+0 0E+0 0E+0 0E+0
1.000Pb+2 + 1.000CO3-2 = Pb(CO3)
#-llnl_gamma 3.4
log_k 7.000 #06BLA/PIA
delta_h -3.015 #kJ/mol
# Enthalpy of formation: -677.326 #kJ/mol
-analytic 6.4718E+0 0E+0 1.57484E+2 0E+0 0E+0
1.000Pb+2 + 2.000CO3-2 = Pb(CO3)2-2
#-llnl_gamma 4.7
log_k 10.130 #99LOT/OCH
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.013E+1 0E+0 0E+0 0E+0 0E+0
1.000Pb+2 + 1.000H2(PO4)- = Pb(H2PO4)+
#-llnl_gamma 4.1
log_k 1.500 #74NRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0
1.000Pb+2 + 2.000HS- = Pb(HS)2
#-llnl_gamma 3.4
log_k 15.010 #06BLA/PIA
delta_h -65.579 #kJ/mol
# Enthalpy of formation: -97.259 #kJ/mol
-analytic 3.52107E+0 0E+0 3.42542E+3 0E+0 0E+0
1.000Pb+2 + 3.000HS- = Pb(HS)3-
#-llnl_gamma 3.6
log_k 16.260 #06BLA/PIA
delta_h -73.329 #kJ/mol
# Enthalpy of formation: -121.309 #kJ/mol
-analytic 3.41333E+0 0E+0 3.83023E+3 0E+0 0E+0
1.000Pb+2 + 1.000NO3- = Pb(NO3)+
#-llnl_gamma 4.1
log_k 1.060 #99LOT/OCH
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.06E+0 0E+0 0E+0 0E+0 0E+0
1.000Pb+2 + 2.000NO3- = Pb(NO3)2
#-llnl_gamma 3.4
log_k 1.480 #99LOT/OCH
delta_h -11.012 #kJ/mol
# Enthalpy of formation: -423.792 #kJ/mol
-analytic -4.49217E-1 0E+0 5.75196E+2 0E+0 0E+0
1.000Pb+2 - 1.000H+ + 1.000H2O = Pb(OH)+
#-llnl_gamma 4.1
log_k -7.510 #99LOT/OCH
delta_h 53.920 #kJ/mol
# Enthalpy of formation: -230.99 #kJ/mol
-analytic 1.93636E+0 0E+0 -2.81643E+3 0E+0 0E+0
1.000Pb+2 - 2.000H+ + 2.000H2O = Pb(OH)2
#-llnl_gamma 3.4
log_k -16.950 #99LOT/OCH
delta_h 97.824 #kJ/mol
# Enthalpy of formation: -472.915 #kJ/mol
-analytic 1.88004E-1 0E+0 -5.1097E+3 0E+0 0E+0
1.000Pb+2 - 3.000H+ + 3.000H2O = Pb(OH)3-
#-llnl_gamma 3.6
log_k -27.200 #01PER/HEF
delta_h 130.485 #kJ/mol
# Enthalpy of formation: -726.085 #kJ/mol
-analytic -4.34004E+0 0E+0 -6.8157E+3 0E+0 0E+0
1.000Pb+2 - 4.000H+ + 4.000H2O = Pb(OH)4-2
#-llnl_gamma 4.7
log_k -38.900 #01PER/HEF
delta_h 197.474 #kJ/mol
# Enthalpy of formation: -944.925 #kJ/mol
-analytic -4.30409E+0 0E+0 -1.03148E+4 0E+0 0E+0
1.000Pb+2 + 1.000SO4-2 = Pb(SO4)
#-llnl_gamma 3.4
log_k 2.820 #99LOT/OCH
delta_h 6.861 #kJ/mol
# Enthalpy of formation: -901.559 #kJ/mol
-analytic 4.02199E+0 0E+0 -3.58374E+2 0E+0 0E+0
1.000Pb+2 + 2.000SO4-2 = Pb(SO4)2-2
#-llnl_gamma 4.7
log_k 3.470 #97MAR/SMI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.47E+0 0E+0 0E+0 0E+0 0E+0
1.000Pb+2 + 1.000SeO3-2 = Pb(SeO3)
#-llnl_gamma 3.4
log_k 5.730 #01SEB/POT2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.73E+0 0E+0 0E+0 0E+0 0E+0
2.000Pb+2 - 1.000H+ + 1.000H2O = Pb2(OH)+3
#-llnl_gamma 8.2
log_k -7.180 #99LOT/OCH
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -7.18E+0 0E+0 0E+0 0E+0 0E+0
4.000Pb+2 - 4.000H+ + 4.000H2O = Pb4(OH)4+4
#-llnl_gamma 11.6
log_k -20.630 #99LOT/OCH
delta_h 82.038 #kJ/mol
# Enthalpy of formation: -1057.601 #kJ/mol
-analytic -6.25758E+0 0E+0 -4.28514E+3 0E+0 0E+0
6.000Pb+2 - 8.000H+ + 8.000H2O = Pb6(OH)8+4
#-llnl_gamma 11.6
log_k -42.680 #99LOT/OCH
delta_h 192.157 #kJ/mol
# Enthalpy of formation: -2088.961 #kJ/mol
-analytic -9.01559E+0 0E+0 -1.0037E+4 0E+0 0E+0
1.000Pb+2 + 1.000Br- = PbBr+
#-llnl_gamma 4.1
log_k 1.700 #82HÖG
delta_h 4.220 #kJ/mol
# Enthalpy of formation: -116.27 #kJ/mol
-analytic 2.43931E+0 0E+0 -2.20426E+2 0E+0 0E+0
1.000Pb+2 + 2.000Br- = PbBr2
#-llnl_gamma 3.4
log_k 1.900 #82HÖG
delta_h 10.979 #kJ/mol
# Enthalpy of formation: -230.92 #kJ/mol
-analytic 3.82344E+0 0E+0 -5.73472E+2 0E+0 0E+0
1.000Pb+2 + 3.000Br- = PbBr3-
#-llnl_gamma 3.6
log_k 2.900 #82HÖG
delta_h 10.653 #kJ/mol
# Enthalpy of formation: -352.656 #kJ/mol
-analytic 4.76632E+0 0E+0 -5.56444E+2 0E+0 0E+0
1.000Pb+2 + 1.000Cl- = PbCl+
#-llnl_gamma 4.1
log_k 1.440 #97SVE/SHO
delta_h 4.318 #kJ/mol
# Enthalpy of formation: -161.841 #kJ/mol
-analytic 2.19648E+0 0E+0 -2.25545E+2 0E+0 0E+0
1.000Pb+2 + 2.000Cl- = PbCl2
#-llnl_gamma 3.4
log_k 2.000 #97SVE/SHO
delta_h 7.948 #kJ/mol
# Enthalpy of formation: -325.291 #kJ/mol
-analytic 3.39243E+0 0E+0 -4.15152E+2 0E+0 0E+0
1.000Pb+2 + 3.000Cl- = PbCl3-
#-llnl_gamma 3.6
log_k 1.690 #97SVE/SHO
delta_h 7.812 #kJ/mol
# Enthalpy of formation: -492.507 #kJ/mol
-analytic 3.0586E+0 0E+0 -4.08049E+2 0E+0 0E+0
1.000Pb+2 + 4.000Cl- = PbCl4-2
#-llnl_gamma 4.7
log_k 1.400 #97SVE/SHO
delta_h 1.324 #kJ/mol
# Enthalpy of formation: -666.074 #kJ/mol
-analytic 1.63195E+0 0E+0 -6.91572E+1 0E+0 0E+0
1.000Pb+2 + 1.000F- = PbF+
#-llnl_gamma 4.1
log_k 2.270 #99LOT/OCH
delta_h -4.054 #kJ/mol
# Enthalpy of formation: -338.484 #kJ/mol
-analytic 1.55977E+0 0E+0 2.11755E+2 0E+0 0E+0
1.000Pb+2 + 2.000F- = PbF2
#-llnl_gamma 3.4
log_k 3.010 #99LOT/OCH
delta_h -8.879 #kJ/mol
# Enthalpy of formation: -678.659 #kJ/mol
-analytic 1.45447E+0 0E+0 4.63782E+2 0E+0 0E+0
1.000Pb+2 - 1.000H+ + 1.000H2(PO4)- = PbHPO4
#-llnl_gamma 3.4
log_k -4.110 #74NRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.11E+0 0E+0 0E+0 0E+0 0E+0
1.000Pb+2 + 1.000I- = PbI+
#-llnl_gamma 4.1
log_k 1.980 #82HÖG
delta_h 3.874 #kJ/mol
# Enthalpy of formation: -51.986 #kJ/mol
-analytic 2.65869E+0 0E+0 -2.02353E+2 0E+0 0E+0
1.000Pb+2 + 2.000I- = PbI2
#-llnl_gamma 3.4
log_k 3.150 #82HÖG
delta_h 7.106 #kJ/mol
# Enthalpy of formation: -105.533 #kJ/mol
-analytic 4.39492E+0 0E+0 -3.71172E+2 0E+0 0E+0
1.000Pb+2 + 3.000I- = PbI3-
#-llnl_gamma 3.6
log_k 3.810 #82HÖG
delta_h 3.163 #kJ/mol
# Enthalpy of formation: -166.256 #kJ/mol
-analytic 4.36413E+0 0E+0 -1.65215E+2 0E+0 0E+0
1.000Pb+2 + 4.000I- = PbI4-2
#-llnl_gamma 4.7
log_k 3.750 #82HÖG
delta_h -15.561 #kJ/mol
# Enthalpy of formation: -241.76 #kJ/mol
-analytic 1.02383E+0 0E+0 8.12806E+2 0E+0 0E+0
1.000Pb+2 + 1.000Pyrophos-4 = PbPyrophos-2
#-llnl_gamma 4.7
log_k 8.330 #82WAG/EVA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.33E+0 0E+0 0E+0 0E+0 0E+0
1.000Pd+2 + 1.000CO3-2 = Pd(CO3)
#-llnl_gamma 3.4
log_k 6.830 #87BRO/WAN
delta_h -8.843 #kJ/mol
# Enthalpy of formation: -494.184 #kJ/mol
-analytic 5.28078E+0 0E+0 4.61901E+2 0E+0 0E+0
1.000Pd+2 + 2.000CO3-2 = Pd(CO3)2-2
#-llnl_gamma 4.7
log_k 12.530 #87BRO/WAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.253E+1 0E+0 0E+0 0E+0 0E+0
1.000Pd+2 + 1.000NH3 = Pd(NH3)+2
#-llnl_gamma 5.7
log_k 9.600 #68RAS/JOR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.6E+0 0E+0 0E+0 0E+0 0E+0
1.000Pd+2 + 2.000NH3 = Pd(NH3)2+2
#-llnl_gamma 5.7
log_k 18.500 #68RAS/JOR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.85E+1 0E+0 0E+0 0E+0 0E+0
1.000Pd+2 + 3.000NH3 = Pd(NH3)3+2
#-llnl_gamma 5.7
log_k 26.000 #68RAS/JOR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.6E+1 0E+0 0E+0 0E+0 0E+0
1.000Pd+2 + 4.000NH3 = Pd(NH3)4+2
#-llnl_gamma 5.7
log_k 32.800 #68RAS/JOR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.28E+1 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000Pd+2 + 1.000H2O = Pd(OH)+
#-llnl_gamma 4.1
log_k -1.860 #70NAB/KAL
delta_h 11.908 #kJ/mol
# Enthalpy of formation: -84.032 #kJ/mol
-analytic 2.26189E-1 0E+0 -6.21997E+2 0E+0 0E+0
- 2.000H+ + 1.000Pd+2 + 2.000H2O = Pd(OH)2
#-llnl_gamma 3.4
log_k -3.790 #70NAB/KAL
delta_h 15.288 #kJ/mol
# Enthalpy of formation: -366.482 #kJ/mol
-analytic -1.11166E+0 0E+0 -7.98547E+2 0E+0 0E+0
- 3.000H+ + 1.000Pd+2 + 3.000H2O = Pd(OH)3-
#-llnl_gamma 3.6
log_k -15.930 #70NAB/KAL
delta_h 54.858 #kJ/mol
# Enthalpy of formation: -612.742 #kJ/mol
-analytic -6.31931E+0 0E+0 -2.86543E+3 0E+0 0E+0
- 4.000H+ + 1.000Pd+2 + 4.000H2O = Pd(OH)4-2
#-llnl_gamma 4.7
log_k -29.360 #70NAB/KAL
delta_h 118.558 #kJ/mol
# Enthalpy of formation: -834.872 #kJ/mol
-analytic -8.58956E+0 0E+0 -6.19271E+3 0E+0 0E+0
1.000Pd+2 + 1.000SO4-2 = Pd(SO4)
#-llnl_gamma 3.4
log_k 2.910 #87BRO/WAN
delta_h 4.588 #kJ/mol
# Enthalpy of formation: -714.862 #kJ/mol
-analytic 3.71378E+0 0E+0 -2.39648E+2 0E+0 0E+0
1.000Pd+2 + 2.000SO4-2 = Pd(SO4)2-2
#-llnl_gamma 4.7
log_k 4.170 #82HOG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.17E+0 0E+0 0E+0 0E+0 0E+0
1.000Pd+2 + 1.000Br- = PdBr+
#-llnl_gamma 4.1
log_k 5.770 #72ELD
delta_h -30.145 #kJ/mol
# Enthalpy of formation: 38.334 #kJ/mol
-analytic 4.8883E-1 0E+0 1.57458E+3 0E+0 0E+0
1.000Pd+2 + 2.000Br- = PdBr2
#-llnl_gamma 3.4
log_k 10.060 #72ELD
delta_h -57.714 #kJ/mol
# Enthalpy of formation: -110.644 #kJ/mol
-analytic -5.10439E-2 0E+0 3.01461E+3 0E+0 0E+0
1.000Pd+2 + 3.000Br- = PdBr3-
#-llnl_gamma 3.6
log_k 13.750 #72ELD
delta_h -92.390 #kJ/mol
# Enthalpy of formation: -266.73 #kJ/mol
-analytic -2.43601E+0 0E+0 4.82586E+3 0E+0 0E+0
1.000Pd+2 + 4.000Br- = PdBr4-2
#-llnl_gamma 4.7
log_k 15.110 #72ELD
delta_h -126.688 #kJ/mol
# Enthalpy of formation: -422.437 #kJ/mol
-analytic -7.08475E+0 0E+0 6.61737E+3 0E+0 0E+0
1.000Pd+2 + 1.000Cl- = PdCl+
#-llnl_gamma 4.1
log_k 5.100 #99LOT/OCH
delta_h -24.525 #kJ/mol
# Enthalpy of formation: -1.715 #kJ/mol
-analytic 8.03411E-1 0E+0 1.28103E+3 0E+0 0E+0
1.000Pd+2 + 2.000Cl- = PdCl2
#-llnl_gamma 3.4
log_k 8.300 #99LOT/OCH
delta_h -47.352 #kJ/mol
# Enthalpy of formation: -191.622 #kJ/mol
-analytic 4.29787E-3 0E+0 2.47336E+3 0E+0 0E+0
- 1.000H+ + 1.000Pd+2 + 3.000Cl- + 1.000H2O = PdCl3(OH)-2
#-llnl_gamma 4.7
log_k 2.310 #00BYR/YAO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.31E+0 0E+0 0E+0 0E+0 0E+0
1.000Pd+2 + 3.000Cl- = PdCl3-
#-llnl_gamma 3.6
log_k 10.900 #99LOT/OCH
delta_h -77.577 #kJ/mol
# Enthalpy of formation: -388.927 #kJ/mol
-analytic -2.69089E+0 0E+0 4.05212E+3 0E+0 0E+0
1.000Pd+2 + 4.000Cl- = PdCl4-2
#-llnl_gamma 4.7
log_k 11.700 #99LOT/OCH
delta_h -112.475 #kJ/mol
# Enthalpy of formation: -590.904 #kJ/mol
-analytic -8.00475E+0 0E+0 5.87497E+3 0E+0 0E+0
1.000Pd+2 + 1.000I- = PdI+
#-llnl_gamma 4.1
log_k 10.400 #89BAE/McK
delta_h -58.206 #kJ/mol
# Enthalpy of formation: 74.903 #kJ/mol
-analytic 2.02761E-1 0E+0 3.04031E+3 0E+0 0E+0
1.000Pd+2 + 2.000I- = PdI2
#-llnl_gamma 3.4
log_k 14.500 #97BOU
delta_h -83.425 #kJ/mol
# Enthalpy of formation: -7.096 #kJ/mol
-analytic -1.15411E-1 0E+0 4.35758E+3 0E+0 0E+0
1.000Pd+2 + 3.000I- = PdI3-
#-llnl_gamma 3.6
log_k 18.600 #97BOU
delta_h -121.755 #kJ/mol
# Enthalpy of formation: -102.205 #kJ/mol
-analytic -2.73053E+0 0E+0 6.3597E+3 0E+0 0E+0
1.000Pd+2 + 4.000I- = PdI4-2
#-llnl_gamma 4.7
log_k 24.640
delta_h -190.061 #kJ/mol
# Enthalpy of formation: -227.291 #kJ/mol
-analytic -8.65721E+0 0E+0 9.92756E+3 0E+0 0E+0
1.000Pu+3 + 1.000Acetate- = Pu(Acetate)+2
#-llnl_gamma 5.5
log_k 2.850 #69MOS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.85E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 + 1.000Acetate- = Pu(Acetate)+3
#-llnl_gamma 5.5
log_k 5.930 #62SCH/NEB
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 + 2.000Acetate- = Pu(Acetate)2+
#-llnl_gamma 5.5
log_k 5.060 #69MOS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.06E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 + 2.000Acetate- = Pu(Acetate)2+2
#-llnl_gamma 5.5
log_k 10.090 #62SCH/NEB
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.009E+1 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 + 3.000Acetate- = Pu(Acetate)3
#-llnl_gamma 5.5
log_k 6.570 #69MOS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.57E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 + 1.000CO3-2 = Pu(CO3)+
#-llnl_gamma 4.1
log_k 7.640 #Estimated by correlation with An(III) in function of ionic radii
delta_h 152.752 #kJ/mol
# Enthalpy of formation: -1114.268 #kJ/mol
-analytic 3.4401E+1 0E+0 -7.97878E+3 0E+0 0E+0
1.000Pu+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Pu(CO3)2(OH)2-2
#-llnl_gamma 4.7
log_k 16.760 #99RAI/HES1
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.676E+1 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 + 2.000CO3-2 = Pu(CO3)2-
#-llnl_gamma 3.6
log_k 12.540 #Estimated by correlation with An(III) in function of ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.254E+1 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 + 3.000CO3-2 = Pu(CO3)3-3
#-llnl_gamma 6.7
log_k 16.400 #Estimated by correlation with An(III) in function of ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.64E+1 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 + 4.000CO3-2 = Pu(CO3)4-4
#-llnl_gamma 9.6
log_k 37.000 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.7E+1 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 + 5.000CO3-2 = Pu(CO3)5-6
#-llnl_gamma 18.1
log_k 35.650 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.565E+1 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 + 1.000Edta-4 = Pu(Edta)
#-llnl_gamma 5.5
log_k 31.800 #Recommended in 05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.18E+1 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 + 1.000Edta-4 = Pu(Edta)-
#-llnl_gamma 5.5
log_k 20.180 #05HUM/AND
delta_h -8.700 #kJ/mol #05HUM/AND
# Enthalpy of formation: -2305.29 #kJ/mol
-analytic 1.86558E+1 0E+0 4.54432E+2 0E+0 0E+0
1.000Pu+3 + 1.000H2(PO4)- = Pu(H2PO4)+2
#-llnl_gamma 5.7
log_k 2.200 #10RAI/MOO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 + 1.000H+ + 1.000Edta-4 = Pu(HEdta)
#-llnl_gamma 5.5
log_k 22.020 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.202E+1 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 - 1.000H+ + 1.000H2(PO4)- = Pu(HPO4)+
#-llnl_gamma 4.1
log_k -1.820 #Estimated by correlation with An(III) in function of ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.82E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 - 2.000H+ + 2.000H2(PO4)- = Pu(HPO4)2-
#-llnl_gamma 3.6
log_k -5.460 #Estimated by correlation with An(III) in function of ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.46E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 + 1.000NO3- = Pu(NO3)+2
#-llnl_gamma 5.7
log_k 1.330 #95SIL/BID, LogK selected in analogy to Am (NEA recommendation 95SIL/BID)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 + 1.000NO3- = Pu(NO3)+3
#-llnl_gamma 8.2
log_k 1.950 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.95E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 + 1.000Nta-3 = Pu(Nta)
#-llnl_gamma 5.5
log_k 13.100 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.31E+1 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 + 1.000Nta-3 = Pu(Nta)+
#-llnl_gamma 5.5
log_k 21.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.1E+1 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 - 1.000H+ + 1.000H2O = Pu(OH)+2
#-llnl_gamma 5.7
log_k -6.900 #01LEM/FUG
delta_h 78.273 #kJ/mol
# Enthalpy of formation: -799.347 #kJ/mol
-analytic 6.81282E+0 0E+0 -4.08848E+3 0E+0 0E+0
1.000Pu+4 - 1.000H+ + 1.000H2O = Pu(OH)+3
#-llnl_gamma 8.2
log_k 0.600 #99NEC, 01NEC/KIM, 03GUI/FAN
delta_h 36.000 #kJ/mol #01LEM/FUG
# Enthalpy of formation: -789.725 #kJ/mol
-analytic 6.90692E+0 0E+0 -1.88041E+3 0E+0 0E+0
1.000Pu+3 - 2.000H+ + 2.000H2O = Pu(OH)2+
#-llnl_gamma 4.1
log_k -15.900 #80ALL/KIP
delta_h 150.341 #kJ/mol
# Enthalpy of formation: -1013.109 #kJ/mol
-analytic 1.04386E+1 0E+0 -7.85285E+3 0E+0 0E+0
1.000Pu+4 - 2.000H+ + 2.000H2O = Pu(OH)2+2
#-llnl_gamma 5.7
log_k 0.600 #99NEC, 01NEC/KIM, 03GUI/FAN
delta_h 49.567 #kJ/mol
# Enthalpy of formation: -1061.987 #kJ/mol
-analytic 9.28375E+0 0E+0 -2.58906E+3 0E+0 0E+0
1.000Pu+3 - 3.000H+ + 3.000H2O = Pu(OH)3
#-llnl_gamma 3.4
log_k -25.300 #80ALL/KIP
delta_h 227.538 #kJ/mol
# Enthalpy of formation: -1221.741 #kJ/mol
-analytic 1.45629E+1 0E+0 -1.18851E+4 0E+0 0E+0
1.000Pu+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Pu(OH)3(HGlu)
#-llnl_gamma 5.5
log_k 4.750 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.75E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Pu(OH)3(HIsa)
#-llnl_gamma 5.5
log_k 4.750 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.75E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Pu(OH)3(HIsa)2-
#-llnl_gamma 5.5
log_k 6.860 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.86E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 - 3.000H+ + 3.000H2O = Pu(OH)3+
#-llnl_gamma 4.1
log_k -2.300 #99NEC, 01NEC/KIM, 03GUI/FAN
delta_h 68.542 #kJ/mol
# Enthalpy of formation: -1328.842 #kJ/mol
-analytic 9.70803E+0 0E+0 -3.58019E+3 0E+0 0E+0
1.000Pu+4 - 4.000H+ + 4.000H2O = Pu(OH)4
#-llnl_gamma 3.4
log_k -8.500 #03GUI/FAN
delta_h 99.048 #kJ/mol
# Enthalpy of formation: -1584.166 #kJ/mol
-analytic 8.85244E+0 0E+0 -5.17363E+3 0E+0 0E+0
1.000Pu+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Pu(OH)4(HGlu)-
#-llnl_gamma 5.5
log_k -2.700 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.7E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Pu(OH)4(HIsa)-
#-llnl_gamma 5.5
log_k -3.600 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.6E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Pu(OH)4(HIsa)2-2
#-llnl_gamma 5.5
log_k 0.700 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7E-1 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 + 1.000Ox-2 = Pu(Ox)+2
#-llnl_gamma 5.5
log_k 11.400 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.14E+1 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 + 2.000Ox-2 = Pu(Ox)2
#-llnl_gamma 5.5
log_k 20.600 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 + 2.000Ox-2 = Pu(Ox)2-
#-llnl_gamma 5.5
log_k 10.620 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.062E+1 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 + 3.000Ox-2 = Pu(Ox)3-2
#-llnl_gamma 5.5
log_k 25.690 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.569E+1 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 + 3.000Ox-2 = Pu(Ox)3-3
#-llnl_gamma 5.5
log_k 13.220 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.322E+1 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 - 4.000H+ + 2.000H2(PO4)- = Pu(PO4)2-3
#-llnl_gamma 6.7
log_k -19.730 #Estimated by correlation with An(III) in function of ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.973E+1 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 + 1.000SO4-2 = Pu(SO4)+
#-llnl_gamma 4.1
log_k 3.910 #01LEM/FUG
delta_h 17.240 #kJ/mol #01LEM/FUG
# Enthalpy of formation: -1483.89 #kJ/mol
-analytic 6.93031E+0 0E+0 -9.00507E+2 0E+0 0E+0
1.000Pu+4 + 1.000SO4-2 = Pu(SO4)+2
#-llnl_gamma 5.7
log_k 6.890 #01LEM/FUG
delta_h 13.754 #kJ/mol
# Enthalpy of formation: -1435.481 #kJ/mol
-analytic 9.29959E+0 0E+0 -7.1842E+2 0E+0 0E+0
1.000Pu+4 + 2.000SO4-2 = Pu(SO4)2
#-llnl_gamma 3.4
log_k 11.140 #01LEM/FUG
delta_h 43.907 #kJ/mol
# Enthalpy of formation: -2314.667 #kJ/mol
-analytic 1.88322E+1 0E+0 -2.29342E+3 0E+0 0E+0
1.000Pu+3 + 2.000SO4-2 = Pu(SO4)2-
#-llnl_gamma 3.6
log_k 5.700 #01LEM/FUG
delta_h 11.880 #kJ/mol #01LEM/FUG
# Enthalpy of formation: -2398.59 #kJ/mol
-analytic 7.78128E+0 0E+0 -6.20535E+2 0E+0 0E+0
1.000Pu+4 + 1.000Br- = PuBr+3
#-llnl_gamma 8.2
log_k 1.600 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.6E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 + 1.000Cl- = PuCl+3
#-llnl_gamma 8.2
log_k 1.800 #01LEM/FUG
delta_h 19.820 #kJ/mol
# Enthalpy of formation: -687.155 #kJ/mol
-analytic 5.27231E+0 0E+0 -1.03527E+3 0E+0 0E+0
1.000Pu+4 + 1.000F- = PuF+3
#-llnl_gamma 8.2
log_k 8.840 #01LEM/FUG
delta_h 9.100 #kJ/mol #01LEM/FUG
# Enthalpy of formation: -866.145 #kJ/mol
-analytic 1.04342E+1 0E+0 -4.75325E+2 0E+0 0E+0
1.000Pu+4 + 2.000F- = PuF2+2
#-llnl_gamma 5.7
log_k 15.700 #01LEM/FUG
delta_h 11.000 #kJ/mol #01LEM/FUG
# Enthalpy of formation: -1199.595 #kJ/mol
-analytic 1.76271E+1 0E+0 -5.74569E+2 0E+0 0E+0
1.000Pu+4 + 3.000F- = PuF3+
#-llnl_gamma 4.1
log_k 20.110 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.011E+1 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 + 1.000H+ + 1.000H2(PO4)- = PuH3PO4+4
#-llnl_gamma 11.6
log_k 4.540 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.54E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 + 1.000I- = PuI+2
#-llnl_gamma 5.7
log_k 1.100 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.1E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+4 + 1.000I- = PuI+3
#-llnl_gamma 8.2
log_k 1.620 #ANDRA report (C RP 0ENQ 02-001,Estimated by correlation with An(IV) in function of ionic radii)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.62E+0 0E+0 0E+0 0E+0 0E+0
1.000PuO2+2 + 1.000Acetate- = PuO2(Acetate)+
#-llnl_gamma 5.5
log_k 2.870 #11RIC/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.87E+0 0E+0 0E+0 0E+0 0E+0
1.000PuO2+2 + 2.000Acetate- = PuO2(Acetate)2
#-llnl_gamma 5.5
log_k 4.770 #11RIC/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.77E+0 0E+0 0E+0 0E+0 0E+0
1.000PuO2+2 + 3.000Acetate- = PuO2(Acetate)3-
#-llnl_gamma 5.5
log_k 6.190 #11RIC/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.19E+0 0E+0 0E+0 0E+0 0E+0
1.000PuO2+2 + 1.000CO3-2 = PuO2(CO3)
#-llnl_gamma 3.4
log_k 9.500 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.5E+0 0E+0 0E+0 0E+0 0E+0
1.000PuO2+2 + 2.000CO3-2 = PuO2(CO3)2-2
#-llnl_gamma 4.7
log_k 14.700 #03GUI/FAN
delta_h -27.000 #kJ/mol #03GUI/FAN
# Enthalpy of formation: -2199.496 #kJ/mol
-analytic 9.96981E+0 0E+0 1.41031E+3 0E+0 0E+0
1.000PuO2+2 + 3.000CO3-2 = PuO2(CO3)3-4
#-llnl_gamma 9.6
log_k 18.000 #03GUI/FAN
delta_h -38.600 #kJ/mol #03GUI/FAN
# Enthalpy of formation: -2886.326 #kJ/mol
-analytic 1.12376E+1 0E+0 2.01622E+3 0E+0 0E+0
1.000PuO2+ + 3.000CO3-2 = PuO2(CO3)3-5
#-llnl_gamma 13.4
log_k 5.030
delta_h -19.110 #kJ/mol #01LEM/FUG
# Enthalpy of formation: -2954.927 #kJ/mol
-analytic 1.68208E+0 0E+0 9.98183E+2 0E+0 0E+0
2.000UO2+2 + 1.000PuO2+2 + 6.000CO3-2 = PuO2(CO3)6(UO2)2-6
#-llnl_gamma 18.1
log_k 53.480 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.348E+1 0E+0 0E+0 0E+0 0E+0
1.000PuO2+ - 1.000H+ + 1.000H2(PO4)- = PuO2(HPO4)-
#-llnl_gamma 3.6
log_k -4.860 #NEA Guidelines in 01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.86E+0 0E+0 0E+0 0E+0 0E+0
1.000PuO2+2 + 1.000Nta-3 = PuO2(Nta)-
#-llnl_gamma 5.5
log_k 11.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0
1.000PuO2+ + 1.000Nta-3 = PuO2(Nta)-2
#-llnl_gamma 5.5
log_k 7.500 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0
1.000PuO2+2 - 1.000H+ + 1.000H2O = PuO2(OH)+
#-llnl_gamma 4.1
log_k -5.500 #01LEM/FUG
delta_h 28.000 #kJ/mol #01LEM/FUG
# Enthalpy of formation: -1079.866 #kJ/mol
-analytic -5.94618E-1 0E+0 -1.46254E+3 0E+0 0E+0
1.000PuO2+2 - 2.000H+ + 2.000H2O = PuO2(OH)2
#-llnl_gamma 3.4
log_k -13.200 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.32E+1 0E+0 0E+0 0E+0 0E+0
1.000PuO2+2 - 1.000H+ + 1.000H4(SiO4) = PuO2(OSi(OH)3)+
#-llnl_gamma 4.1
log_k -3.640 #03YUS/FED
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.64E+0 0E+0 0E+0 0E+0 0E+0
1.000PuO2+2 + 1.000Ox-2 = PuO2(Ox)
#-llnl_gamma 5.5
log_k 7.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7E+0 0E+0 0E+0 0E+0 0E+0
1.000PuO2+2 + 2.000Ox-2 = PuO2(Ox)2-2
#-llnl_gamma 5.5
log_k 10.500 #73POR/DEP in 95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.05E+1 0E+0 0E+0 0E+0 0E+0
1.000PuO2+2 + 1.000Phthalat-2 = PuO2(Phthalat)
#-llnl_gamma 5.5
log_k 5.760 #11GRI/COL3
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.76E+0 0E+0 0E+0 0E+0 0E+0
1.000PuO2+2 + 1.000SO4-2 = PuO2(SO4)
#-llnl_gamma 3.4
log_k 3.380 #01LEM/FUG
delta_h 16.100 #kJ/mol #01LEM/FUG
# Enthalpy of formation: -1715.276 #kJ/mol
-analytic 6.20059E+0 0E+0 -8.4096E+2 0E+0 0E+0
1.000PuO2+ + 1.000SO4-2 = PuO2(SO4)-
#-llnl_gamma 3.6
log_k 0.440 #Duro et al. (2006), In analogy to NpO2(SO4)-
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.4E-1 0E+0 0E+0 0E+0 0E+0
1.000PuO2+2 + 2.000SO4-2 = PuO2(SO4)2-2
#-llnl_gamma 4.7
log_k 4.400 #01LEM/FUG
delta_h 43.000 #kJ/mol #01LEM/FUG
# Enthalpy of formation: -2597.716 #kJ/mol
-analytic 1.19333E+1 0E+0 -2.24604E+3 0E+0 0E+0
1.000PuO2+ + 1.000CO3-2 = PuO2CO3-
#-llnl_gamma 3.6
log_k 5.120 #01LEM/FUG
delta_h 44.871 #kJ/mol
# Enthalpy of formation: -1540.486 #kJ/mol
-analytic 1.29811E+1 0E+0 -2.34377E+3 0E+0 0E+0
1.000PuO2+2 + 1.000Cl- = PuO2Cl+
#-llnl_gamma 4.1
log_k 0.230 #03GUI/FAN
delta_h 4.187 #kJ/mol
# Enthalpy of formation: -984.929 #kJ/mol
-analytic 9.6353E-1 0E+0 -2.18702E+2 0E+0 0E+0
1.000PuO2+2 + 2.000Cl- = PuO2Cl2
#-llnl_gamma 3.4
log_k -1.150 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.15E+0 0E+0 0E+0 0E+0 0E+0
1.000PuO2+ + 1.000F- = PuO2F
#-llnl_gamma 3.4
log_k 1.200 #In analogy to NpO2)F
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.2E+0 0E+0 0E+0 0E+0 0E+0
1.000PuO2+2 + 1.000F- = PuO2F+
#-llnl_gamma 4.1
log_k 4.560 #01LEM/FUG
delta_h -3.654 #kJ/mol
# Enthalpy of formation: -1161.039 #kJ/mol
-analytic 3.91985E+0 0E+0 1.90861E+2 0E+0 0E+0
1.000PuO2+2 + 2.000F- = PuO2F2
#-llnl_gamma 3.4
log_k 7.250 #01LEM/FUG
delta_h 1.206 #kJ/mol
# Enthalpy of formation: -1491.529 #kJ/mol
-analytic 7.46128E+0 0E+0 -6.29937E+1 0E+0 0E+0
1.000PuO2+2 + 3.000F- = PuO2F3-
#-llnl_gamma 3.6
log_k 9.590 #85SAW/CHA
delta_h 2.399 #kJ/mol
# Enthalpy of formation: -1825.686 #kJ/mol
-analytic 1.00103E+1 0E+0 -1.25308E+2 0E+0 0E+0
1.000PuO2+2 + 1.000NO3- = PuO2NO3+
#-llnl_gamma 4.1
log_k 0.100 #12GRI/GAR1 (LogK selected in analogy to U (NEA recommendation), logK(UO2NO3 +))
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1E-1 0E+0 0E+0 0E+0 0E+0
1.000PuO2+ - 1.000H+ + 1.000H2O = PuO2OH
#-llnl_gamma 3.4
log_k -11.300 #01LEM/FUG
delta_h 71.826 #kJ/mol
# Enthalpy of formation: -1124.131 #kJ/mol
-analytic 1.28336E+0 0E+0 -3.75173E+3 0E+0 0E+0
1.000Pu+3 + 1.000Ox-2 = PuOx+
#-llnl_gamma 5.5
log_k 6.490 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.49E+0 0E+0 0E+0 0E+0 0E+0
1.000Pu+3 - 2.000H+ + 1.000H2(PO4)- = PuPO4
#-llnl_gamma 3.4
log_k -7.920 #Estimated by correlation with An(III) in function of ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -7.92E+0 0E+0 0E+0 0E+0 0E+0
1.000Ra+2 + 1.000CO3-2 = Ra(CO3)
#-llnl_gamma 3.4
log_k 2.500 #99SCH
delta_h 4.496 #kJ/mol
# Enthalpy of formation: -1198.76 #kJ/mol
-analytic 3.28766E+0 0E+0 -2.34842E+2 0E+0 0E+0
1.000H+ + 1.000Ra+2 + 1.000CO3-2 = Ra(HCO3)+
#-llnl_gamma 4.1
log_k 10.920 #02ILE/TWE
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.092E+1 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000Ra+2 + 1.000H2O = Ra(OH)+
#-llnl_gamma 4.1
log_k -13.490
delta_h 60.417 #kJ/mol #85LAN/RIE
# Enthalpy of formation: -753.438 #kJ/mol
-analytic -2.90541E+0 0E+0 -3.1558E+3 0E+0 0E+0
- 2.000H+ + 1.000Ra+2 + 2.000H2O = Ra(OH)2
#-llnl_gamma 3.4
log_k -28.070
delta_h 112.197 #kJ/mol
# Enthalpy of formation: -987.488 #kJ/mol
-analytic -8.41396E+0 0E+0 -5.86045E+3 0E+0 0E+0
1.000Ra+2 + 1.000SO4-2 = Ra(SO4)
#-llnl_gamma 3.4
log_k 2.760
delta_h 5.472 #kJ/mol
# Enthalpy of formation: -1431.892 #kJ/mol
-analytic 3.71865E+0 0E+0 -2.85822E+2 0E+0 0E+0
1.000Ra+2 + 1.000Cl- = RaCl+
#-llnl_gamma 4.1
log_k -0.100 #85LAN/RIE
delta_h 2.479 #kJ/mol
# Enthalpy of formation: -692.626 #kJ/mol
-analytic 3.34302E-1 0E+0 -1.29487E+2 0E+0 0E+0
1.000Ra+2 + 2.000Cl- = RaCl2
#-llnl_gamma 3.4
log_k -0.100
delta_h 0.495 #kJ/mol
# Enthalpy of formation: -861.689 #kJ/mol
-analytic -1.32798E-2 0E+0 -2.58556E+1 0E+0 0E+0
1.000Ra+2 + 1.000F- = RaF+
#-llnl_gamma 4.1
log_k 0.480 #87BRO/WAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.8E-1 0E+0 0E+0 0E+0 0E+0
1.000Br- + 1.000Rb+ = RbBr
#-llnl_gamma 3.4
log_k -1.240
delta_h 13.836 #kJ/mol
# Enthalpy of formation: -358.694 #kJ/mol #97SVE/SHO
-analytic 1.18396E+0 0E+0 -7.22704E+2 0E+0 0E+0
1.000Cl- + 1.000Rb+ = RbCl
#-llnl_gamma 3.4
log_k -1.010
delta_h 13.189 #kJ/mol
# Enthalpy of formation: -405.011 #kJ/mol #97SVE/SHO
-analytic 1.30061E+0 0E+0 -6.88908E+2 0E+0 0E+0
1.000F- + 1.000Rb+ = RbF
#-llnl_gamma 3.4
log_k 0.940
delta_h 1.923 #kJ/mol
# Enthalpy of formation: -584.547 #kJ/mol #97SVE/SHO
-analytic 1.27689E+0 0E+0 -1.00445E+2 0E+0 0E+0
1.000I- + 1.000Rb+ = RbI
#-llnl_gamma 3.4
log_k -0.840
delta_h 6.987 #kJ/mol
# Enthalpy of formation: -300.913 #kJ/mol #97SVE/SHO
-analytic 3.84068E-1 0E+0 -3.64956E+2 0E+0 0E+0
- 1.000H+ + 1.000Rb+ + 1.000H2O = RbOH
#-llnl_gamma 3.4
log_k -14.260
delta_h 64.158 #kJ/mol
# Enthalpy of formation: -472.792 #kJ/mol #97SHO/SAS2
-analytic -3.02002E+0 0E+0 -3.3512E+3 0E+0 0E+0
- 1.000H+ + 1.000HS- = S-2
#-llnl_gamma 4.7
log_k -17.100 #04CHI
delta_h 73.278 #kJ/mol
# Enthalpy of formation: 56.978 #kJ/mol
-analytic -4.26226E+0 0E+0 -3.82757E+3 0E+0 0E+0
- 2.000H+ - 2.000e- + 2.000HS- = S2-2
#-llnl_gamma 4.7
log_k -10.540
delta_h 67.640 #kJ/mol
# Enthalpy of formation: 35.04 #kJ/mol #04CHI
-analytic 1.31E+0 0E+0 -3.53308E+3 0E+0 0E+0
2.000H+ + 2.000SO3-2 - 1.000H2O = S2O5-2
#-llnl_gamma 4.7
log_k 12.850 #85GOL/PAR
delta_h 2.606 #kJ/mol
# Enthalpy of formation: -973.684 #kJ/mol
-analytic 1.33066E+1 0E+0 -1.36121E+2 0E+0 0E+0
- 2.000e- + 2.000SO4-2 = S2O8-2
#-llnl_gamma 4.7
log_k -65.380
delta_h 473.980 #kJ/mol
# Enthalpy of formation: -1344.7 #kJ/mol #82WAG/EVA
-analytic 1.76576E+1 0E+0 -2.47577E+4 0E+0 0E+0
- 3.000H+ - 4.000e- + 3.000HS- = S3-2
#-llnl_gamma 4.7
log_k -6.510
delta_h 74.840 #kJ/mol
# Enthalpy of formation: 25.94 #kJ/mol #74NAU/RYZ
-analytic 6.60139E+0 0E+0 -3.90916E+3 0E+0 0E+0
6.000H+ + 2.000e- + 3.000SO3-2 - 3.000H2O = S3O6-2
#-llnl_gamma 4.7
log_k 36.820
delta_h -131.646 #kJ/mol
# Enthalpy of formation: -1167.336 #kJ/mol #04CHI
-analytic 1.37566E+1 0E+0 6.87634E+3 0E+0 0E+0
- 4.000H+ - 6.000e- + 4.000HS- = S4-2
#-llnl_gamma 4.7
log_k -3.580
delta_h 88.210 #kJ/mol
# Enthalpy of formation: 23.01 #kJ/mol #74NAU/RYZ
-analytic 1.18737E+1 0E+0 -4.60752E+3 0E+0 0E+0
12.000H+ + 6.000e- + 4.000SO3-2 - 6.000H2O = S4O6-2
#-llnl_gamma 4.7
log_k 90.800
delta_h -414.978 #kJ/mol
# Enthalpy of formation: -1224.238 #kJ/mol #04CHI
-analytic 1.80991E+1 0E+0 2.16758E+4 0E+0 0E+0
- 5.000H+ - 8.000e- + 5.000HS- = S5-2
#-llnl_gamma 4.7
log_k -0.870
delta_h 102.840 #kJ/mol
# Enthalpy of formation: 21.34 #kJ/mol #74NAU/RYZ
-analytic 1.71468E+1 0E+0 -5.3717E+3 0E+0 0E+0
18.000H+ + 10.000e- + 5.000SO3-2 - 9.000H2O = S5O6-2
#-llnl_gamma 4.7
log_k 115.390
delta_h -592.874 #kJ/mol
# Enthalpy of formation: -1175.704 #kJ/mol #04CHI
-analytic 1.15231E+1 0E+0 3.09679E+4 0E+0 0E+0
2.000H+ + 1.000SO3-2 - 1.000H2O = SO2
#-llnl_gamma 3.4
log_k 9.030
delta_h 21.450 #kJ/mol
# Enthalpy of formation: -323.78 #kJ/mol #85GOL/PAR
-analytic 1.27879E+1 0E+0 -1.12041E+3 0E+0 0E+0
2.000H+ + 1.000Sb(OH)3 - 2.000H2O = Sb(OH)+2
#-llnl_gamma 5.7
log_k 0.740 #99LOT/OCH
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7.4E-1 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000Sb(OH)3 - 1.000H2O = Sb(OH)2+
#-llnl_gamma 4.1
log_k 1.330 #77ANT/NEV and others recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0
1.000H+ + 1.000Sb(OH)5 - 1.000H2O = Sb(OH)4+
#-llnl_gamma 4.1
log_k -3.260 #57PIT/POU in 99LOT/OCH
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.26E+0 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000Sb(OH)3 + 1.000H2O = Sb(OH)4-
#-llnl_gamma 3.6
log_k -11.820 #52GAY/GAR recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.182E+1 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000Sb(OH)5 + 1.000H2O = Sb(OH)6-
#-llnl_gamma 3.6
log_k -2.720 #63LEF/MAR in 76BAE/MES
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.72E+0 0E+0 0E+0 0E+0 0E+0
3.000H+ + 1.000Sb(OH)3 - 3.000H2O = Sb+3
#-llnl_gamma 8.2
log_k -0.730 #99LOT/OCH
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -7.3E-1 0E+0 0E+0 0E+0 0E+0
- 4.000H+ + 12.000Sb(OH)5 + 4.000H2O = Sb12(OH)64-4
#-llnl_gamma 9.6
log_k 20.340 #63LEF/MAR in 76BAE/MES
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.034E+1 0E+0 0E+0 0E+0 0E+0
- 5.000H+ + 12.000Sb(OH)5 + 5.000H2O = Sb12(OH)65-5
#-llnl_gamma 13.4
log_k 16.720 #63LEF/MAR in 76BAE/MES
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.672E+1 0E+0 0E+0 0E+0 0E+0
- 6.000H+ + 12.000Sb(OH)5 + 6.000H2O = Sb12(OH)66-6
#-llnl_gamma 18.1
log_k 11.890 #63LEF/MAR in 76BAE/MES
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.189E+1 0E+0 0E+0 0E+0 0E+0
- 7.000H+ + 12.000Sb(OH)5 + 7.000H2O = Sb12(OH)67-7
#-llnl_gamma 23.7
log_k 6.070 #63LEF/MAR in 76BAE/MES
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.07E+0 0E+0 0E+0 0E+0 0E+0
4.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2H2S4
#-llnl_gamma 3.4
log_k 57.810 #88KRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.781E+1 0E+0 0E+0 0E+0 0E+0
3.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2HS4-
#-llnl_gamma 3.6
log_k 52.900 #88KRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.29E+1 0E+0 0E+0 0E+0 0E+0
2.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2S4-2
#-llnl_gamma 4.7
log_k 43.380 #88KRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.338E+1 0E+0 0E+0 0E+0 0E+0
3.000H+ + 1.000Cl- + 1.000Sb(OH)3 - 3.000H2O = SbCl+2
#-llnl_gamma 5.7
log_k 2.800 #70BON/WAU and others recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0
3.000H+ + 2.000Cl- + 1.000Sb(OH)3 - 3.000H2O = SbCl2+
#-llnl_gamma 4.1
log_k 3.270 #70BON/WAU and others recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0
3.000H+ + 1.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF+2
#-llnl_gamma 5.7
log_k 6.370 #70BON recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.37E+0 0E+0 0E+0 0E+0 0E+0
3.000H+ + 2.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF2+
#-llnl_gamma 4.1
log_k 12.420 #70BON recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.242E+1 0E+0 0E+0 0E+0 0E+0
3.000H+ + 3.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF3
#-llnl_gamma 3.4
log_k 18.200 #70BON recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.82E+1 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000HSe- = Se-2
#-llnl_gamma 4.7
log_k -14.910
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.491E+1 0E+0 0E+0 0E+0 0E+0
- 2.000H+ - 2.000e- + 2.000HSe- = Se2-2
#-llnl_gamma 4.7
log_k -4.500 #05OLI/NOL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.5E+0 0E+0 0E+0 0E+0 0E+0
- 3.000H+ - 4.000e- + 3.000HSe- = Se3-2
#-llnl_gamma 4.7
log_k 5.240 #05OLI/NOL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.24E+0 0E+0 0E+0 0E+0 0E+0
- 4.000H+ - 6.000e- + 4.000HSe- = Se4-2
#-llnl_gamma 4.7
log_k 13.380 #05OLI/NOL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.338E+1 0E+0 0E+0 0E+0 0E+0
- 1.000H+ - 2.000e- + 1.000Cn- + 1.000HSe- = SeCn-
#-llnl_gamma 3.6
log_k 13.030
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.303E+1 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 2.000H4(SiO4) - 1.000H2O = Si2O2(OH)5-
#-llnl_gamma 3.6
log_k -8.500 #01FEL/CHO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -8.5E+0 0E+0 0E+0 0E+0 0E+0
- 2.000H+ + 2.000H4(SiO4) - 1.000H2O = Si2O3(OH)4-2
#-llnl_gamma 4.7
log_k -19.400 #01FEL/CHO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.94E+1 0E+0 0E+0 0E+0 0E+0
- 3.000H+ + 3.000H4(SiO4) - 2.000H2O = Si3O5(OH)5-3
#-llnl_gamma 6.7
log_k -29.400 #01FEL/CHO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.94E+1 0E+0 0E+0 0E+0 0E+0
- 3.000H+ + 3.000H4(SiO4) - 3.000H2O = Si3O6(OH)3-3
#-llnl_gamma 6.7
log_k -29.300 #01FEL/CHO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.93E+1 0E+0 0E+0 0E+0 0E+0
- 2.000H+ + 4.000H4(SiO4) - 4.000H2O = Si4O6(OH)6-2
#-llnl_gamma 4.7
log_k -15.600 #01FEL/CHO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.56E+1 0E+0 0E+0 0E+0 0E+0
- 4.000H+ + 4.000H4(SiO4) - 3.000H2O = Si4O7(OH)6-4
#-llnl_gamma 9.6
log_k -39.100 #01FEL/CHO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.91E+1 0E+0 0E+0 0E+0 0E+0
- 4.000H+ + 4.000H4(SiO4) - 4.000H2O = Si4O8(OH)4-4
#-llnl_gamma 9.6
log_k -39.200 #01FEL/CHO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.92E+1 0E+0 0E+0 0E+0 0E+0
- 6.000H+ + 6.000H4(SiO4) - 9.000H2O = Si6O15-6
#-llnl_gamma 18.1
log_k -61.800 #01FEL/CHO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.18E+1 0E+0 0E+0 0E+0 0E+0
1.000Sm+3 + 1.000CO3-2 = Sm(CO3)+
#-llnl_gamma 4.1
log_k 7.800 #95SPA/BRU
delta_h 163.378 #kJ/mol
# Enthalpy of formation: -1203.051 #kJ/mol
-analytic 3.64226E+1 0E+0 -8.53381E+3 0E+0 0E+0
1.000Sm+3 + 2.000CO3-2 = Sm(CO3)2-
#-llnl_gamma 3.6
log_k 12.800 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.28E+1 0E+0 0E+0 0E+0 0E+0
1.000Sm+3 + 3.000CO3-2 = Sm(CO3)3-3
#-llnl_gamma 6.7
log_k 14.800 #05VER/VIT2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0
1.000Sm+3 + 1.000H2(PO4)- = Sm(H2PO4)+2
#-llnl_gamma 5.7
log_k 2.350 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.35E+0 0E+0 0E+0 0E+0 0E+0
1.000Sm+3 + 1.000H+ + 1.000CO3-2 = Sm(HCO3)+2
#-llnl_gamma 5.7
log_k 12.430 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.243E+1 0E+0 0E+0 0E+0 0E+0
1.000Sm+3 - 1.000H+ + 1.000H2(PO4)- = Sm(HPO4)+
#-llnl_gamma 4.1
log_k -1.610 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.61E+0 0E+0 0E+0 0E+0 0E+0
1.000Sm+3 - 2.000H+ + 2.000H2(PO4)- = Sm(HPO4)2-
#-llnl_gamma 3.6
log_k -5.020 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.02E+0 0E+0 0E+0 0E+0 0E+0
1.000Sm+3 + 1.000NO3- = Sm(NO3)+2
#-llnl_gamma 5.7
log_k 0.900 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9E-1 0E+0 0E+0 0E+0 0E+0
1.000Sm+3 - 1.000H+ + 1.000H2O = Sm(OH)+2
#-llnl_gamma 5.7
log_k -7.900 #95SPA/BRU
delta_h 81.312 #kJ/mol
# Enthalpy of formation: -895.716 #kJ/mol
-analytic 6.34523E+0 0E+0 -4.24722E+3 0E+0 0E+0
1.000Sm+3 - 2.000H+ + 2.000H2O = Sm(OH)2+
#-llnl_gamma 4.1
log_k -15.700 #07NEC/ALT2
delta_h 145.706 #kJ/mol
# Enthalpy of formation: -1117.151 #kJ/mol
-analytic 9.82656E+0 0E+0 -7.61074E+3 0E+0 0E+0
1.000Sm+3 - 3.000H+ + 3.000H2O = Sm(OH)3
#-llnl_gamma 3.4
log_k -26.200 #07NEC/ALT2
delta_h 228.404 #kJ/mol
# Enthalpy of formation: -1320.283 #kJ/mol
-analytic 1.38146E+1 0E+0 -1.19304E+4 0E+0 0E+0
1.000Sm+3 - 4.000H+ + 4.000H2O = Sm(OH)4-
#-llnl_gamma 3.6
log_k -40.700 #07NEC/ALT2
delta_h 298.603 #kJ/mol
# Enthalpy of formation: -1535.914 #kJ/mol
-analytic 1.16129E+1 0E+0 -1.55971E+4 0E+0 0E+0
1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- = Sm(PO4)
#-llnl_gamma 3.4
log_k -7.460 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -7.46E+0 0E+0 0E+0 0E+0 0E+0
1.000Sm+3 - 4.000H+ + 2.000H2(PO4)- = Sm(PO4)2-3
#-llnl_gamma 6.7
log_k -18.720 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.872E+1 0E+0 0E+0 0E+0 0E+0
1.000Sm+3 + 1.000SO4-2 = Sm(SO4)+
#-llnl_gamma 4.1
log_k 3.500 #95SPA/BRU
delta_h 16.584 #kJ/mol
# Enthalpy of formation: -1583.954 #kJ/mol
-analytic 6.40539E+0 0E+0 -8.66241E+2 0E+0 0E+0
1.000Sm+3 + 2.000SO4-2 = Sm(SO4)2-
#-llnl_gamma 3.6
log_k 5.200 #95SPA/BRU
delta_h 24.918 #kJ/mol
# Enthalpy of formation: -2484.959 #kJ/mol
-analytic 9.56544E+0 0E+0 -1.30156E+3 0E+0 0E+0
1.000Sm+3 + 1.000Br- = SmBr+2
#-llnl_gamma 5.7
log_k 0.230 #96FAL/REA
delta_h 17.023 #kJ/mol
# Enthalpy of formation: -795.584 #kJ/mol
-analytic 3.2123E+0 0E+0 -8.89172E+2 0E+0 0E+0
1.000Sm+3 + 1.000Cl- = SmCl+2
#-llnl_gamma 5.7
log_k 0.720 #Original data 01LUO/BYR and 07LUO/BYR
delta_h 22.277 #kJ/mol
# Enthalpy of formation: -836.001 #kJ/mol
-analytic 4.62276E+0 0E+0 -1.16361E+3 0E+0 0E+0
1.000Sm+3 + 1.000F- = SmF+2
#-llnl_gamma 5.7
log_k 4.210 #07LUO/BYR
delta_h 24.180 #kJ/mol
# Enthalpy of formation: -1002.368 #kJ/mol
-analytic 8.44615E+0 0E+0 -1.26301E+3 0E+0 0E+0
1.000Sm+3 + 2.000F- = SmF2+
#-llnl_gamma 4.1
log_k 6.430 #Original data 99SCH/BYR and 04LUO/BYR
delta_h 18.850 #kJ/mol #04LOU/MIL
# Enthalpy of formation: -1343.048 #kJ/mol
-analytic 9.73237E+0 0E+0 -9.84603E+2 0E+0 0E+0
1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2
#-llnl_gamma 5.7
log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO1
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 1.000Cit-3 = Sn(Cit)-
#-llnl_gamma 5.5
log_k 8.700 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.7E+0 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 2.000Cit-3 = Sn(Cit)2-4
#-llnl_gamma 5.5
log_k 11.900 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.19E+1 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 1.000Edta-4 = Sn(Edta)-2
#-llnl_gamma 5.5
log_k 24.600 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 2.000H+ + 1.000Edta-4 = Sn(H2Edta)
#-llnl_gamma 5.5
log_k 24.300 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.43E+1 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 1.000H+ + 1.000Edta-4 = Sn(HEdta)-
#-llnl_gamma 5.5
log_k 23.400 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.34E+1 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 1.000Nta-3 = Sn(Nta)-
#-llnl_gamma 5.5
log_k 13.400 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 - 1.000H+ + 1.000H2O = Sn(OH)+
#-llnl_gamma 4.1
log_k -3.530 #12GAM/GAJ
delta_h 18.611 #kJ/mol
# Enthalpy of formation: -276.835 #kJ/mol
-analytic -2.69498E-1 0E+0 -9.72119E+2 0E+0 0E+0
1.000Sn+2 - 2.000H+ + 2.000H2O = Sn(OH)2
#-llnl_gamma 3.4
log_k -7.680 #12GAM/GAJ
delta_h 40.762 #kJ/mol
# Enthalpy of formation: -540.515 #kJ/mol
-analytic -5.38815E-1 0E+0 -2.12914E+3 0E+0 0E+0
1.000Sn+2 - 3.000H+ + 3.000H2O = Sn(OH)3-
#-llnl_gamma 3.6
log_k -16.430
delta_h 89.189 #kJ/mol
# Enthalpy of formation: -777.917 #kJ/mol
-analytic -8.04781E-1 0E+0 -4.65866E+3 0E+0 0E+0
1.000Sn+4 - 4.000H+ + 4.000H2O = Sn(OH)4
#-llnl_gamma 3.4
log_k 7.540
delta_h -49.205 #kJ/mol
# Enthalpy of formation: -1224.035 #kJ/mol
-analytic -1.08033E+0 0E+0 2.57015E+3 0E+0 0E+0
1.000Sn+4 - 5.000H+ + 5.000H2O = Sn(OH)5-
#-llnl_gamma 3.6
log_k -1.060
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.06E+0 0E+0 0E+0 0E+0 0E+0
1.000Sn+4 - 6.000H+ + 6.000H2O = Sn(OH)6-2
#-llnl_gamma 4.7
log_k -11.130
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.113E+1 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 - 1.000H+ + 1.000Cl- + 1.000H2O = Sn(OH)Cl
#-llnl_gamma 3.4
log_k -3.100 #52VAN/RHO recalculated in 02HUM/BER
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.1E+0 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 1.000Ox-2 = Sn(Ox)
#-llnl_gamma 5.5
log_k 6.500 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 2.000Ox-2 = Sn(Ox)2-2
#-llnl_gamma 5.5
log_k 12.900 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 3.000Ox-2 = Sn(Ox)3-4
#-llnl_gamma 5.5
log_k 17.100 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.71E+1 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 1.000SO4-2 = Sn(SO4)
#-llnl_gamma 3.4
log_k 3.430 #12GAM/GAJ
delta_h 16.900 #kJ/mol #Suggested but not selected in 12GAM/GAJ
# Enthalpy of formation: -902.057 #kJ/mol
-analytic 6.39075E+0 0E+0 -8.82747E+2 0E+0 0E+0
3.000Sn+2 - 4.000H+ + 4.000H2O = Sn3(OH)4+2
#-llnl_gamma 5.7
log_k -5.600 #12GAM/GAJ
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.6E+0 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 1.000Br- = SnBr+
#-llnl_gamma 4.1
log_k 1.330 #12GAM/GAJ
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 2.000Br- = SnBr2
#-llnl_gamma 3.4
log_k 1.970 #12GAM/GAJ
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.97E+0 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 3.000Br- = SnBr3-
#-llnl_gamma 3.6
log_k 1.930 #12GAM/GAJ
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.93E+0 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 1.000Cl- = SnCl+
#-llnl_gamma 4.1
log_k 1.520 #12GAM/GAJ
delta_h 12.700 #kJ/mol #12GAM/GAJ
# Enthalpy of formation: -163.997 #kJ/mol
-analytic 3.74494E+0 0E+0 -6.63366E+2 0E+0 0E+0
1.000Sn+2 + 2.000Cl- = SnCl2
#-llnl_gamma 3.4
log_k 2.170 #12GAM/GAJ
delta_h 19.700 #kJ/mol #12GAM/GAJ
# Enthalpy of formation: -324.077 #kJ/mol
-analytic 5.62129E+0 0E+0 -1.029E+3 0E+0 0E+0
1.000Sn+2 + 3.000Cl- = SnCl3-
#-llnl_gamma 3.6
log_k 2.130 #12GAM/GAJ
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.13E+0 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 4.000Cl- = SnCl4-2
#-llnl_gamma 4.7
log_k 2.030 #12GAM/GAJ
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.03E+0 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 1.000F- = SnF+
#-llnl_gamma 4.1
log_k 5.250 #12GAM/GAJ
delta_h -9.580 #kJ/mol
# Enthalpy of formation: -354.546 #kJ/mol
-analytic 3.57166E+0 0E+0 5.00398E+2 0E+0 0E+0
1.000Sn+2 + 2.000F- = SnF2
#-llnl_gamma 3.4
log_k 8.890 #12GAM/GAJ
delta_h -9.969 #kJ/mol
# Enthalpy of formation: -690.285 #kJ/mol
-analytic 7.14351E+0 0E+0 5.20716E+2 0E+0 0E+0
1.000Sn+2 + 3.000F- = SnF3-
#-llnl_gamma 3.6
log_k 11.500 #12GAM/GAJ
delta_h -4.479 #kJ/mol
# Enthalpy of formation: -1020.145 #kJ/mol
-analytic 1.07153E+1 0E+0 2.33954E+2 0E+0 0E+0
1.000Sn+2 - 1.000H+ + 1.000H2(PO4)- = SnHPO4
#-llnl_gamma 3.4
log_k 2.290 #00CIA/IUL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.29E+0 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 1.000I- = SnI+
#-llnl_gamma 4.1
log_k 1.740 #68HAI/JOH1 recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.74E+0 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 + 2.000I- = SnI2
#-llnl_gamma 3.4
log_k 2.690 #68HAI/JOH1 recalculated
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.69E+0 0E+0 0E+0 0E+0 0E+0
1.000Sn+2 - 2.000H+ + 1.000H2(PO4)- = SnPO4-
#-llnl_gamma 3.6
log_k -1.560 #00CIA/IUL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.56E+0 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 1.000CO3-2 = Sr(CO3)
#-llnl_gamma 3.4
log_k 2.810 #84BUS/PLU
delta_h 21.796 #kJ/mol
# Enthalpy of formation: -1204.335 #kJ/mol
-analytic 6.62849E+0 0E+0 -1.13848E+3 0E+0 0E+0
1.000Sr+2 + 1.000Cit-3 = Sr(Cit)-
#-llnl_gamma 5.5
log_k 4.240 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.24E+0 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 - 1.000H+ + 2.000Cit-3 + 1.000H2O = Sr(Cit)2(OH)-5
#-llnl_gamma 5.5
log_k -1.780 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 2.000Cit-3 = Sr(Cit)2-4
#-llnl_gamma 5.5
log_k 4.840 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.84E+0 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 1.000Cn- = Sr(Cn)+
#-llnl_gamma 4.1
log_k 0.710 #estimation NEA87 08/02/95
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7.1E-1 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 2.000Cn- = Sr(Cn)2
#-llnl_gamma 3.4
log_k 0.200 #estimation NEA87 08/02/95
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2E-1 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 1.000Edta-4 = Sr(Edta)-2
#-llnl_gamma 5.5
log_k 10.300 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.03E+1 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 2.000H+ + 1.000Cit-3 = Sr(H2Cit)+
#-llnl_gamma 5.5
log_k 12.460 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.246E+1 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 1.000H2(PO4)- = Sr(H2PO4)+
#-llnl_gamma 4.1
log_k 0.830 #97MAR/SMI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.3E-1 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 1.000H+ + 1.000CO3-2 = Sr(HCO3)+
#-llnl_gamma 4.1
log_k 11.510 #84BUS/PLUS
delta_h 10.597 #kJ/mol
# Enthalpy of formation: -1215.533 #kJ/mol
-analytic 1.33665E+1 0E+0 -5.53519E+2 0E+0 0E+0
1.000Sr+2 + 1.000H+ + 1.000Cit-3 = Sr(HCit)
#-llnl_gamma 5.5
log_k 9.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9E+0 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 1.000H+ + 1.000Edta-4 = Sr(HEdta)-
#-llnl_gamma 5.5
log_k 14.700 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.47E+1 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 1.000H+ + 1.000Ox-2 = Sr(HOx)+
#-llnl_gamma 5.5
log_k 5.800 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.8E+0 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 2.000H+ + 2.000Ox-2 = Sr(HOx)2
#-llnl_gamma 5.5
log_k 10.800 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.08E+1 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 - 1.000H+ + 1.000H2(PO4)- = Sr(HPO4)
#-llnl_gamma 3.4
log_k -4.700 #97MAR/SMI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.7E+0 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 1.000IO3- = Sr(IO3)+
#-llnl_gamma 4.1
log_k 0.330 #estimation NEA87 01/02/95
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.3E-1 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 2.000IO3- = Sr(IO3)2
#-llnl_gamma 3.4
log_k -0.550 #estimation NEA87 01/02/95
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.5E-1 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 1.000NH3 = Sr(NH3)+2
#-llnl_gamma 5.7
log_k -0.550 #estimation NEA87 08/02/95
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.5E-1 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 1.000NO3- = Sr(NO3)+
#-llnl_gamma 4.1
log_k 0.600 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6E-1 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 2.000NO3- = Sr(NO3)2
#-llnl_gamma 3.4
log_k 0.310 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.1E-1 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 1.000Nta-3 = Sr(Nta)-
#-llnl_gamma 5.5
log_k 6.250 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.25E+0 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 - 1.000H+ + 1.000H2O = Sr(OH)+
#-llnl_gamma 4.1
log_k -13.290 #76BAE/MES
delta_h 82.608 #kJ/mol
# Enthalpy of formation: -754.122 #kJ/mol
-analytic 1.18228E+0 0E+0 -4.31491E+3 0E+0 0E+0
1.000Sr+2 + 1.000Ox-2 = Sr(Ox)
#-llnl_gamma 5.5
log_k 2.540 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.54E+0 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 2.000Ox-2 = Sr(Ox)2-2
#-llnl_gamma 5.5
log_k 3.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3E+0 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 - 2.000H+ + 1.000H2(PO4)- = Sr(PO4)-
#-llnl_gamma 3.6
log_k -13.560 #96BOU1
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.356E+1 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 1.000Pyrophos-4 = Sr(Pyrophos)-2
#-llnl_gamma 4.7
log_k 5.400 #76SMI/MAR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.4E+0 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 1.000S2O3-2 = Sr(S2O3)
#-llnl_gamma 3.4
log_k 2.040 #76SMI/MAR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.04E+0 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 1.000SO4-2 = Sr(SO4)
#-llnl_gamma 3.4
log_k 2.300 #06BLA/IGN
delta_h 7.029 #kJ/mol #06BLA/IGN
# Enthalpy of formation: -1453.211 #kJ/mol
-analytic 3.53143E+0 0E+0 -3.6715E+2 0E+0 0E+0
2.000Sr+2 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Sr2(Cit)(OH)
#-llnl_gamma 5.5
log_k 0.380 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.8E-1 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 1.000B(OH)4- = SrB(OH)4+
#-llnl_gamma 4.1
log_k 1.550 #80BAS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.55E+0 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 1.000Cl- = SrCl+
#-llnl_gamma 4.1
log_k 0.230 #96BOU1
delta_h 4.926 #kJ/mol
# Enthalpy of formation: -713.054 #kJ/mol
-analytic 1.093E+0 0E+0 -2.57303E+2 0E+0 0E+0
1.000Sr+2 + 1.000F- = SrF+
#-llnl_gamma 4.1
log_k 0.300 #96BOU
delta_h 16.740 #kJ/mol #96BOU
# Enthalpy of formation: -869.51 #kJ/mol
-analytic 3.23272E+0 0E+0 -8.7439E+2 0E+0 0E+0
1.000Sr+2 + 2.000F- = SrF2
#-llnl_gamma 3.4
log_k 2.020 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.02E+0 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 1.000I- = SrI+
#-llnl_gamma 4.1
log_k 0.140 #estimation NEA87 01/02/95
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.4E-1 0E+0 0E+0 0E+0 0E+0
1.000Sr+2 + 2.000I- = SrI2
#-llnl_gamma 3.4
log_k -0.040 #estimation NEA87 01/02/95
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4E-2 0E+0 0E+0 0E+0 0E+0
1.000TcO(OH)2 + 2.000H+ + 1.000CO3-2 - 1.000H2O = Tc(OH)2CO3
#-llnl_gamma 3.4
log_k 19.260 #99RAR/RAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.926E+1 0E+0 0E+0 0E+0 0E+0
1.000TcO(OH)2 + 1.000H+ + 1.000CO3-2 = Tc(OH)3CO3-
#-llnl_gamma 3.6
log_k 10.960 #99RAR/RAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.096E+1 0E+0 0E+0 0E+0 0E+0
1.000TcO(OH)2 + 1.000H+ - 1.000H2O + 1.000Acetate- = TcO(OH)(Acetate)
#-llnl_gamma 5.5
log_k 5.550 #11RIC/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.55E+0 0E+0 0E+0 0E+0 0E+0
1.000TcO(OH)2 + 1.000H+ + 1.000Edta-4 - 1.000H2O = TcO(OH)(Edta)-3
#-llnl_gamma 5.5
log_k 19.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.9E+1 0E+0 0E+0 0E+0 0E+0
1.000TcO(OH)2 + 1.000H+ + 1.000Nta-3 - 1.000H2O = TcO(OH)(Nta)-2
#-llnl_gamma 5.5
log_k 13.300 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.33E+1 0E+0 0E+0 0E+0 0E+0
1.000TcO(OH)2 + 1.000H+ + 2.000Nta-3 - 1.000H2O = TcO(OH)(Nta)2-5
#-llnl_gamma 5.5
log_k 11.700 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.17E+1 0E+0 0E+0 0E+0 0E+0
1.000TcO(OH)2 + 1.000H+ - 1.000H2O = TcO(OH)+
#-llnl_gamma 4.1
log_k 2.790
delta_h 4.020 #kJ/mol #97NGU/LAN
# Enthalpy of formation: -459.408 #kJ/mol
-analytic 3.49427E+0 0E+0 -2.09979E+2 0E+0 0E+0
1.000TcO(OH)2 + 2.000H+ + 1.000Ox-2 - 2.000H2O = TcO(Ox)
#-llnl_gamma 5.5
log_k 9.800 #06XIA/HES
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.8E+0 0E+0 0E+0 0E+0 0E+0
1.000TcO(OH)2 + 2.000H+ + 2.000Ox-2 - 2.000H2O = TcO(Ox)2-2
#-llnl_gamma 5.5
log_k 13.660 #06XIA/HES
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.366E+1 0E+0 0E+0 0E+0 0E+0
1.000TcO(OH)2 + 2.000H+ - 2.000H2O = TcO+2
#-llnl_gamma 5.7
log_k 2.580 #97NGU/LAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.58E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 1.000Acetate- = Th(Acetate)+3
#-llnl_gamma 5.5
log_k 5.240 #11RIC/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.24E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 2.000Acetate- = Th(Acetate)2+2
#-llnl_gamma 5.5
log_k 9.440 #11RIC/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.44E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 3.000Acetate- = Th(Acetate)3+
#-llnl_gamma 5.5
log_k 12.560 #11RIC/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.256E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 4.000Acetate- = Th(Acetate)4
#-llnl_gamma 5.5
log_k 14.380 #11RIC/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.438E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 5.000Acetate- = Th(Acetate)5-
#-llnl_gamma 5.5
log_k 15.370 #11RIC/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.537E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 5.000CO3-2 = Th(CO3)5-6
#-llnl_gamma 18.1
log_k 31.000 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.1E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 1.000Cit-3 = Th(Cit)+
#-llnl_gamma 5.5
log_k 16.800 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.68E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 2.000Cit-3 = Th(Cit)2-2
#-llnl_gamma 5.5
log_k 25.800 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.58E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 1.000Edta-4 = Th(Edta)
#-llnl_gamma 5.5
log_k 26.950 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.695E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 1.000H2(PO4)- = Th(H2PO4)+3
#-llnl_gamma 8.2
log_k 5.590 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.59E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 2.000H2(PO4)- = Th(H2PO4)2+2
#-llnl_gamma 5.7
log_k 10.480 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.048E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 1.000H+ + 2.000H2(PO4)- = Th(H3PO4)(H2PO4)+3
#-llnl_gamma 8.2
log_k 9.700 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.7E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 1.000H+ + 1.000H2(PO4)- = Th(H3PO4)+4
#-llnl_gamma 11.6
log_k 4.030 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.03E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 1.000H+ + 1.000Edta-4 = Th(HEdta)+
#-llnl_gamma 5.5
log_k 28.700 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.87E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 1.000H+ + 1.000Ox-2 = Th(HOx)+3
#-llnl_gamma 5.5
log_k 11.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 2.000H+ + 2.000Ox-2 = Th(HOx)2+2
#-llnl_gamma 5.5
log_k 18.130 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.813E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 4.000H+ + 4.000Ox-2 = Th(HOx)4
#-llnl_gamma 5.5
log_k 24.300 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.43E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 1.000Malonate-2 = Th(Malonate)+2
#-llnl_gamma 5.5
log_k 9.320 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.32E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 2.000Malonate-2 = Th(Malonate)2
#-llnl_gamma 5.5
log_k 16.070 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.607E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 3.000Malonate-2 = Th(Malonate)3-2
#-llnl_gamma 5.5
log_k 19.630 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.963E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 1.000NO3- = Th(NO3)+3
#-llnl_gamma 8.2
log_k 1.300 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 2.000NO3- = Th(NO3)2+2
#-llnl_gamma 5.7
log_k 2.300 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 1.000Nta-3 = Th(Nta)+
#-llnl_gamma 5.5
log_k 17.150 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.715E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 - 1.000H+ + 4.000CO3-2 + 1.000H2O = Th(OH)(CO3)4-5
#-llnl_gamma 13.4
log_k 21.600 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.16E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Th(OH)(Edta)-
#-llnl_gamma 5.5
log_k 19.500 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.95E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Th(OH)(Nta)
#-llnl_gamma 5.5
log_k 11.200 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.12E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 - 1.000H+ + 1.000H2O = Th(OH)+3
#-llnl_gamma 8.2
log_k -2.500 #09RAN/FUG
delta_h 44.200 #kJ/mol #09RAN/FUG
# Enthalpy of formation: -1010.33 #kJ/mol
-analytic 5.2435E+0 0E+0 -2.30872E+3 0E+0 0E+0
1.000Th+4 - 2.000H+ + 1.000CO3-2 + 2.000H2O = Th(OH)2(CO3)
#-llnl_gamma 3.4
log_k 2.500 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.5E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Th(OH)2(CO3)2-2
#-llnl_gamma 4.7
log_k 8.800 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.8E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Th(OH)2(Nta)-
#-llnl_gamma 5.5
log_k 7.200 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7.2E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 - 2.000H+ + 2.000H2O = Th(OH)2+2
#-llnl_gamma 5.7
log_k -6.200 #09RAN/FUG
delta_h 85.700 #kJ/mol #09RAN/FUG
# Enthalpy of formation: -1254.66 #kJ/mol
-analytic 8.81397E+0 0E+0 -4.47642E+3 0E+0 0E+0
1.000Th+4 - 3.000H+ + 1.000CO3-2 + 3.000H2O = Th(OH)3(CO3)-
#-llnl_gamma 3.6
log_k -3.700 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.7E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Th(OH)3(HGlu)
#-llnl_gamma 5.5
log_k -6.700 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.7E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Th(OH)3(HIsa)
#-llnl_gamma 5.5
log_k -5.650 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.65E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Th(OH)3(HIsa)2-
#-llnl_gamma 5.5
log_k -4.900 #09RAI/YUI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.9E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 - 3.000H+ + 3.000H2O = Th(OH)3+
#-llnl_gamma 4.1
log_k -11.000 #10GRI/RIB
delta_h 125.623 #kJ/mol
# Enthalpy of formation: -1500.566 #kJ/mol
-analytic 1.10082E+1 0E+0 -6.56174E+3 0E+0 0E+0
1.000Th+4 - 4.000H+ + 4.000H2O = Th(OH)4
#-llnl_gamma 3.4
log_k -17.400 #09RAN/FUG
delta_h 152.688 #kJ/mol
# Enthalpy of formation: -1759.331 #kJ/mol
-analytic 9.34975E+0 0E+0 -7.97544E+3 0E+0 0E+0
1.000Th+4 - 4.000H+ + 1.000CO3-2 + 4.000H2O = Th(OH)4(CO3)-2
#-llnl_gamma 4.7
log_k -15.600 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.56E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Th(OH)4(HGlu)-
#-llnl_gamma 5.5
log_k -11.800 #13COL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.18E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 - 4.000H+ + 2.000HGlu- + 4.000H2O = Th(OH)4(HGlu)2-2
#-llnl_gamma 5.5
log_k -9.900 #13COL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -9.9E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Th(OH)4(HIsa)-
#-llnl_gamma 5.5
log_k -13.200 #13COL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.32E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Th(OH)4(HIsa)2-2
#-llnl_gamma 5.5
log_k -10.400 #13COL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 1.000Ox-2 = Th(Ox)+2
#-llnl_gamma 5.5
log_k 9.700 #08SAS/TAK; 09KOB/SAS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.7E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 2.000Ox-2 = Th(Ox)2
#-llnl_gamma 5.5
log_k 16.000 #08SAS/TAK; 09KOB/SAS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 3.000Ox-2 = Th(Ox)3-2
#-llnl_gamma 5.5
log_k 22.200 #08SAS/TAK; 09KOB/SAS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.22E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 1.000SO4-2 = Th(SO4)+2
#-llnl_gamma 5.7
log_k 6.170 #09RAN/FUG
delta_h 20.920 #kJ/mol #09RAN/FUG
# Enthalpy of formation: -1657.12 #kJ/mol
-analytic 9.83502E+0 0E+0 -1.09273E+3 0E+0 0E+0
1.000Th+4 + 2.000SO4-2 = Th(SO4)2
#-llnl_gamma 3.4
log_k 9.690 #09RAN/FUG
delta_h 40.380 #kJ/mol #09RAN/FUG
# Enthalpy of formation: -2547 #kJ/mol
-analytic 1.67643E+1 0E+0 -2.10919E+3 0E+0 0E+0
1.000Th+4 + 3.000SO4-2 = Th(SO4)3-2
#-llnl_gamma 4.7
log_k 10.750 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.075E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 1.000Succinat-2 = Th(Succinat)+2
#-llnl_gamma 5.5
log_k 8.490 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.49E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 2.000Succinat-2 = Th(Succinat)2
#-llnl_gamma 5.5
log_k 12.920 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.292E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 3.000Succinat-2 = Th(Succinat)3-2
#-llnl_gamma 5.5
log_k 16.620 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.662E+1 0E+0 0E+0 0E+0 0E+0
2.000Th+4 - 2.000H+ + 2.000H2O = Th2(OH)2+6
#-llnl_gamma 21.1
log_k -5.900 #09RAN/FUG
delta_h 58.300 #kJ/mol #09RAN/FUG
# Enthalpy of formation: -2050.76 #kJ/mol
-analytic 4.31371E+0 0E+0 -3.04522E+3 0E+0 0E+0
2.000Th+4 - 3.000H+ + 3.000H2O = Th2(OH)3+5
#-llnl_gamma 15.9
log_k -6.800 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.8E+0 0E+0 0E+0 0E+0 0E+0
2.000Th+4 - 1.000H+ + 1.000Ox-2 + 1.000H2O = Th2(Ox)(OH)+5
#-llnl_gamma 5.5
log_k 26.240 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.624E+1 0E+0 0E+0 0E+0 0E+0
4.000Th+4 - 12.000H+ + 12.000H2O = Th4(OH)12+4
#-llnl_gamma 11.6
log_k -26.600 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.66E+1 0E+0 0E+0 0E+0 0E+0
4.000Th+4 - 8.000H+ + 8.000H2O = Th4(OH)8+8
#-llnl_gamma 34.2
log_k -20.400 #09RAN/FUG
delta_h 243.000 #kJ/mol #09RAN/FUG
# Enthalpy of formation: -5118.44 #kJ/mol
-analytic 2.21717E+1 0E+0 -1.26928E+4 0E+0 0E+0
6.000Th+4 - 14.000H+ + 14.000H2O = Th6(OH)14+10
#-llnl_gamma 51.0
log_k -36.800 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.68E+1 0E+0 0E+0 0E+0 0E+0
6.000Th+4 - 15.000H+ + 15.000H2O = Th6(OH)15+9
#-llnl_gamma 42.1
log_k -36.800 #09RAN/FUG
delta_h 472.800 #kJ/mol #09RAN/FUG
# Enthalpy of formation: -8426.85 #kJ/mol
-analytic 4.60309E+1 0E+0 -2.4696E+4 0E+0 0E+0
1.000Th+4 + 1.000Cl- = ThCl+3
#-llnl_gamma 8.2
log_k 1.700 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.7E+0 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 1.000F- = ThF+3
#-llnl_gamma 8.2
log_k 8.870 #09RAN/FUG
delta_h -0.400 #kJ/mol #09RAN/FUG
# Enthalpy of formation: -1104.45 #kJ/mol
-analytic 8.79992E+0 0E+0 2.08934E+1 0E+0 0E+0
1.000Th+4 + 2.000F- = ThF2+2
#-llnl_gamma 5.7
log_k 15.630 #09RAN/FUG
delta_h -3.300 #kJ/mol #09RAN/FUG
# Enthalpy of formation: -1442.7 #kJ/mol
-analytic 1.50519E+1 0E+0 1.72371E+2 0E+0 0E+0
1.000Th+4 + 3.000F- = ThF3+
#-llnl_gamma 4.1
log_k 20.670 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.067E+1 0E+0 0E+0 0E+0 0E+0
1.000Th+4 + 4.000F- = ThF4
#-llnl_gamma 3.4
log_k 25.580 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.558E+1 0E+0 0E+0 0E+0 0E+0
1.000U+4 + 1.000Acetate- = U(Acetate)+3
#-llnl_gamma 5.5
log_k 5.640 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.64E+0 0E+0 0E+0 0E+0 0E+0
1.000U+4 + 2.000Acetate- = U(Acetate)2+2
#-llnl_gamma 5.5
log_k 9.810 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.81E+0 0E+0 0E+0 0E+0 0E+0
1.000U+4 + 4.000CO3-2 = U(CO3)4-4
#-llnl_gamma 9.6
log_k 35.120 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.512E+1 0E+0 0E+0 0E+0 0E+0
1.000U+4 + 5.000CO3-2 = U(CO3)5-6
#-llnl_gamma 18.1
log_k 34.000 #03GUI/FAN
delta_h -20.000 #kJ/mol #03GUI/FAN
# Enthalpy of formation: -3987.35 #kJ/mol
-analytic 3.04962E+1 0E+0 1.04467E+3 0E+0 0E+0
1.000U+4 + 1.000Edta-4 = U(Edta)
#-llnl_gamma 5.5
log_k 29.500 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.95E+1 0E+0 0E+0 0E+0 0E+0
1.000U+4 + 1.000NO3- = U(NO3)+3
#-llnl_gamma 8.2
log_k 1.470 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.47E+0 0E+0 0E+0 0E+0 0E+0
1.000U+4 + 2.000NO3- = U(NO3)2+2
#-llnl_gamma 5.7
log_k 2.300 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0
1.000U+4 + 1.000Nta-3 = U(Nta)+
#-llnl_gamma 5.5
log_k 20.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2E+1 0E+0 0E+0 0E+0 0E+0
1.000U+4 - 1.000H+ + 1.000Edta-4 + 1.000H2O = U(OH)(Edta)-
#-llnl_gamma 5.5
log_k 24.600 #63ERM/KRO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0
1.000U+4 - 1.000H+ + 1.000H2O = U(OH)+3
#-llnl_gamma 8.2
log_k -0.540 #92GRE/FUG
delta_h 46.910 #kJ/mol
# Enthalpy of formation: -830.119 #kJ/mol
-analytic 7.67827E+0 0E+0 -2.45028E+3 0E+0 0E+0
1.000U+4 - 2.000H+ + 1.000Edta-4 + 2.000H2O = U(OH)2(Edta)-2
#-llnl_gamma 5.5
log_k 16.500 #63ERM/KRO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.65E+1 0E+0 0E+0 0E+0 0E+0
1.000U+4 - 2.000H+ + 2.000H2O = U(OH)2+2
#-llnl_gamma 5.7
log_k -1.100 #01NEC/KIM
delta_h 59.963 #kJ/mol
# Enthalpy of formation: -1102.896 #kJ/mol
-analytic 9.40505E+0 0E+0 -3.13208E+3 0E+0 0E+0
1.000U+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = U(OH)3(HGlu)
#-llnl_gamma 5.5
log_k 0.290 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.9E-1 0E+0 0E+0 0E+0 0E+0
1.000U+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = U(OH)3(HIsa)
#-llnl_gamma 5.5
log_k 0.290 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.9E-1 0E+0 0E+0 0E+0 0E+0
1.000U+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = U(OH)3(HIsa)2-
#-llnl_gamma 5.5
log_k 2.400 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0
1.000U+4 - 3.000H+ + 3.000H2O = U(OH)3+
#-llnl_gamma 4.1
log_k -4.700 #01NEC/KIM
delta_h 82.942 #kJ/mol
# Enthalpy of formation: -1365.747 #kJ/mol
-analytic 9.83079E+0 0E+0 -4.33236E+3 0E+0 0E+0
1.000U+4 - 4.000H+ + 4.000H2O = U(OH)4
#-llnl_gamma 3.4
log_k -10.000 #03GUI/FAN
delta_h 109.870 #kJ/mol
# Enthalpy of formation: -1624.649 #kJ/mol
-analytic 9.24837E+0 0E+0 -5.7389E+3 0E+0 0E+0
1.000U+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = U(OH)4(HGlu)-
#-llnl_gamma 5.5
log_k -5.940 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.94E+0 0E+0 0E+0 0E+0 0E+0
1.000U+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = U(OH)4(HIsa)-
#-llnl_gamma 5.5
log_k -6.700 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.7E+0 0E+0 0E+0 0E+0 0E+0
1.000U+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = U(OH)4(HIsa)2-2
#-llnl_gamma 5.5
log_k -5.100 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.1E+0 0E+0 0E+0 0E+0 0E+0
1.000U+4 + 2.000Ox-2 = U(Ox)2
#-llnl_gamma 5.5
log_k 18.630 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.863E+1 0E+0 0E+0 0E+0 0E+0
1.000U+4 + 3.000Ox-2 = U(Ox)3-2
#-llnl_gamma 5.5
log_k 24.190 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.419E+1 0E+0 0E+0 0E+0 0E+0
1.000U+4 + 1.000SO4-2 = U(SO4)+2
#-llnl_gamma 5.7
log_k 6.580 #92GRE/FUG
delta_h 8.000 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -1492.54 #kJ/mol
-analytic 7.98154E+0 0E+0 -4.17868E+2 0E+0 0E+0
1.000U+4 + 2.000SO4-2 = U(SO4)2
#-llnl_gamma 3.4
log_k 10.510 #92GRE/FUG
delta_h 32.700 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -2377.18 #kJ/mol
-analytic 1.62388E+1 0E+0 -1.70804E+3 0E+0 0E+0
1.000U+4 + 1.000Br- = UBr+3
#-llnl_gamma 8.2
log_k 1.460 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.46E+0 0E+0 0E+0 0E+0 0E+0
1.000U+4 + 1.000Cl- = UCl+3
#-llnl_gamma 8.2
log_k 1.720 #92GRE/FUG
delta_h -19.000 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -777.28 #kJ/mol
-analytic -1.60865E+0 0E+0 9.92438E+2 0E+0 0E+0
1.000U+4 + 1.000F- = UF+3
#-llnl_gamma 8.2
log_k 9.420 #03GUI/FAN
delta_h -5.600 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -932.15 #kJ/mol
-analytic 8.43892E+0 0E+0 2.92508E+2 0E+0 0E+0
1.000U+4 + 2.000F- = UF2+2
#-llnl_gamma 5.7
log_k 16.560 #03GUI/FAN
delta_h -3.500 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -1265.4 #kJ/mol
-analytic 1.59468E+1 0E+0 1.82817E+2 0E+0 0E+0
1.000U+4 + 3.000F- = UF3+
#-llnl_gamma 4.1
log_k 21.890 #03GUI/FAN
delta_h 0.500 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -1596.75 #kJ/mol
-analytic 2.19776E+1 0E+0 -2.61168E+1 0E+0 0E+0
1.000U+4 + 4.000F- = UF4
#-llnl_gamma 3.4
log_k 26.340 #03GUI/FAN
delta_h -8.430 #kJ/mol
# Enthalpy of formation: -1941.028 #kJ/mol
-analytic 2.48631E+1 0E+0 4.40329E+2 0E+0 0E+0
1.000U+4 + 5.000F- = UF5-
#-llnl_gamma 3.6
log_k 27.730 #03GUI/FAN
delta_h -11.636 #kJ/mol
# Enthalpy of formation: -2279.584 #kJ/mol
-analytic 2.56915E+1 0E+0 6.0779E+2 0E+0 0E+0
1.000U+4 + 6.000F- = UF6-2
#-llnl_gamma 4.7
log_k 29.800 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.98E+1 0E+0 0E+0 0E+0 0E+0
1.000U+4 + 1.000I- = UI+3
#-llnl_gamma 8.2
log_k 1.250 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.25E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000Acetate- = UO2(Acetate)+
#-llnl_gamma 5.5
log_k 3.020 #11RIC/GRI
delta_h -15.894 #kJ/mol
# Enthalpy of formation: -1520.904 #kJ/mol
-analytic 2.35495E-1 0E+0 8.302E+2 0E+0 0E+0
1.000UO2+2 + 2.000Acetate- = UO2(Acetate)2
#-llnl_gamma 5.5
log_k 5.200 #11RIC/GRI
delta_h -34.940 #kJ/mol
# Enthalpy of formation: -2025.96 #kJ/mol
-analytic -9.21216E-1 0E+0 1.82504E+3 0E+0 0E+0
1.000UO2+2 + 3.000Acetate- = UO2(Acetate)3-
#-llnl_gamma 5.5
log_k 7.030 #11RIC/GRI
delta_h -65.460 #kJ/mol
# Enthalpy of formation: -2542.491 #kJ/mol
-analytic -4.43808E+0 0E+0 3.41921E+3 0E+0 0E+0
1.000UO2+2 + 1.000CO3-2 = UO2(CO3)
#-llnl_gamma 3.4
log_k 9.940 #03GUI/FAN
delta_h 5.000 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -1689.23 #kJ/mol
-analytic 1.0816E+1 0E+0 -2.61168E+2 0E+0 0E+0
1.000UO2+2 + 2.000CO3-2 = UO2(CO3)2-2
#-llnl_gamma 4.7
log_k 16.610 #03GUI/FAN
delta_h 18.500 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -2350.96 #kJ/mol
-analytic 1.98511E+1 0E+0 -9.66321E+2 0E+0 0E+0
1.000UO2+2 + 3.000CO3-2 = UO2(CO3)3-4
#-llnl_gamma 9.6
log_k 21.840 #03GUI/FAN
delta_h -39.200 #kJ/mol #03GUI/FAN
# Enthalpy of formation: -3083.89 #kJ/mol
-analytic 1.49725E+1 0E+0 2.04756E+3 0E+0 0E+0
1.000UO2+ + 3.000CO3-2 = UO2(CO3)3-5
#-llnl_gamma 13.4
log_k 6.950 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.95E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000Cit-3 = UO2(Cit)-
#-llnl_gamma 5.5
log_k 8.960 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.96E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000Edta-4 = UO2(Edta)-2
#-llnl_gamma 5.5
log_k 13.700 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.37E+1 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 2.000H+ + 1.000AsO4-3 = UO2(H2AsO4)+
#-llnl_gamma 4.1
log_k 21.960 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.196E+1 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 4.000H+ + 2.000AsO4-3 = UO2(H2AsO4)2
#-llnl_gamma 3.4
log_k 41.530 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.153E+1 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000H+ + 2.000H2(PO4)- = UO2(H2PO4)(H3PO4)+
#-llnl_gamma 4.1
log_k 5.930 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000H2(PO4)- = UO2(H2PO4)+
#-llnl_gamma 4.1
log_k 3.260 #92GRE/FUG
delta_h -15.340 #kJ/mol
# Enthalpy of formation: -2336.94 #kJ/mol
-analytic 5.72551E-1 0E+0 8.01263E+2 0E+0 0E+0
1.000UO2+2 + 2.000H2(PO4)- = UO2(H2PO4)2
#-llnl_gamma 3.4
log_k 4.920 #92GRE/FUG
delta_h -51.871 #kJ/mol
# Enthalpy of formation: -3676.07 #kJ/mol
-analytic -4.1674E+0 0E+0 2.70941E+3 0E+0 0E+0
1.000UO2+2 + 1.000H+ + 1.000H2(PO4)- = UO2(H3PO4)+2
#-llnl_gamma 5.7
log_k 2.900 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000H+ + 1.000AsO4-3 = UO2(HAsO4)
#-llnl_gamma 3.4
log_k 18.760 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.876E+1 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000H+ + 1.000Cit-3 = UO2(HCit)
#-llnl_gamma 5.5
log_k 11.360 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.136E+1 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000H+ + 1.000Edta-4 = UO2(HEdta)-
#-llnl_gamma 5.5
log_k 19.610 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.961E+1 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000HIsa- = UO2(HIsa)+
#-llnl_gamma 5.5
log_k 3.700 #04RAO/GAR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.7E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 2.000HIsa- = UO2(HIsa)2
#-llnl_gamma 5.5
log_k 6.600 #04RAO/GAR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.6E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 3.000HIsa- = UO2(HIsa)3-
#-llnl_gamma 5.5
log_k 8.500 #04RAO/GAR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000H+ + 1.000Nta-3 = UO2(HNta)
#-llnl_gamma 5.5
log_k 9.000 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 - 1.000H+ + 1.000H2(PO4)- = UO2(HPO4)
#-llnl_gamma 3.4
log_k 0.030 #92GRE/FUG
delta_h 2.783 #kJ/mol
# Enthalpy of formation: -2318.816 #kJ/mol
-analytic 5.1756E-1 0E+0 -1.45366E+2 0E+0 0E+0
1.000UO2+2 - 12.000H+ - 12.000e- + 2.000I- + 6.000H2O = UO2(IO3)2
#-llnl_gamma 3.4
log_k -219.540 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.1954E+2 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000NO3- = UO2(NO3)+
#-llnl_gamma 4.1
log_k 0.100 #08RAO/TIA
delta_h 3.900 #kJ/mol #08RAO/TIA
# Enthalpy of formation: -1221.95 #kJ/mol
-analytic 7.8325E-1 0E+0 -2.03711E+2 0E+0 0E+0
1.000UO2+2 + 1.000Nta-3 = UO2(Nta)-
#-llnl_gamma 5.5
log_k 10.800 #95AKR/BOU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.08E+1 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 - 1.000H+ + 1.000Ox-2 + 1.000H2O = UO2(OH)(Ox)-
#-llnl_gamma 5.5
log_k 0.630 #56GRI/PTI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.3E-1 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 - 1.000H+ + 1.000H2O = UO2(OH)+
#-llnl_gamma 4.1
log_k -5.250 #03GUI/FAN
delta_h 43.458 #kJ/mol
# Enthalpy of formation: -1261.372 #kJ/mol
-analytic 2.3635E+0 0E+0 -2.26997E+3 0E+0 0E+0
1.000UO2+2 - 2.000H+ + 2.000H2O = UO2(OH)2
#-llnl_gamma 3.4
log_k -12.150 #03GUI/FAN
delta_h 111.160 #kJ/mol
# Enthalpy of formation: -1479.5 #kJ/mol #82WAG/EVA
-analytic 7.32437E+0 0E+0 -5.80628E+3 0E+0 0E+0
1.000UO2+2 - 3.000H+ + 3.000H2O = UO2(OH)3-
#-llnl_gamma 3.6
log_k -20.250 #03GUI/FAN
delta_h 148.060 #kJ/mol #Estimated by linear correlations
# Enthalpy of formation: -1728.43 #kJ/mol
-analytic 5.68896E+0 0E+0 -7.7337E+3 0E+0 0E+0
1.000UO2+2 - 4.000H+ + 1.000HIsa- + 4.000H2O = UO2(OH)4(HIsa)-3
#-llnl_gamma 5.5
log_k -28.100 #06GAO/GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.81E+1 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 - 4.000H+ + 4.000H2O = UO2(OH)4-2
#-llnl_gamma 4.7
log_k -32.400 #03GUI/FAN
delta_h 156.138 #kJ/mol
# Enthalpy of formation: -2006.181 #kJ/mol
-analytic -5.04584E+0 0E+0 -8.15564E+3 0E+0 0E+0
1.000UO2+2 + 1.000Ox-2 = UO2(Ox)
#-llnl_gamma 5.5
log_k 7.130 #05HUM/AND
delta_h 25.360 #kJ/mol
# Enthalpy of formation: -1824.3 #kJ/mol #05HUM/AND
-analytic 1.15729E+1 0E+0 -1.32464E+3 0E+0 0E+0
1.000UO2+2 + 2.000Ox-2 = UO2(Ox)2-2
#-llnl_gamma 5.5
log_k 11.650 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.165E+1 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 3.000Ox-2 = UO2(Ox)3-4
#-llnl_gamma 5.5
log_k 13.800 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 - 2.000H+ + 1.000H2(PO4)- = UO2(PO4)-
#-llnl_gamma 3.6
log_k -6.330 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.33E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000Phthalat-2 = UO2(Phthalat)
#-llnl_gamma 5.5
log_k 5.560 #11GRI/COL3
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.56E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000S2O3-2 = UO2(S2O3)
#-llnl_gamma 3.4
log_k 2.800 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000SO3-2 = UO2(SO3)
#-llnl_gamma 3.4
log_k 6.600 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.6E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000SO4-2 = UO2(SO4)
#-llnl_gamma 3.4
log_k 3.150 #03GUI/FAN
delta_h 19.500 #kJ/mol #03GUI/FAN
# Enthalpy of formation: -1908.84 #kJ/mol
-analytic 6.56625E+0 0E+0 -1.01855E+3 0E+0 0E+0
1.000UO2+2 + 2.000SO4-2 = UO2(SO4)2-2
#-llnl_gamma 4.7
log_k 4.140 #03GUI/FAN
delta_h 35.100 #kJ/mol #03GUI/FAN
# Enthalpy of formation: -2802.58 #kJ/mol
-analytic 1.02892E+1 0E+0 -1.8334E+3 0E+0 0E+0
1.000UO2+2 + 3.000SO4-2 = UO2(SO4)3-4
#-llnl_gamma 9.6
log_k 3.020 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.02E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000SeO4-2 = UO2(SeO4)
#-llnl_gamma 3.4
log_k 2.740 #05OLI/NOL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.74E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 2.000SeO4-2 = UO2(SeO4)2-2
#-llnl_gamma 4.7
log_k 3.100 #99DJO/PIZ recalculated in 05OLI/NOL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.1E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000Succinat-2 = UO2(Succinat)
#-llnl_gamma 5.5
log_k 5.280 #13GRI/CAM
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.28E+0 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 + 1.000Br- = UO2Br+
#-llnl_gamma 4.1
log_k 0.220 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.2E-1 0E+0 0E+0 0E+0 0E+0
1.000UO2+2 - 6.000H+ - 6.000e- + 1.000Br- + 3.000H2O = UO2BrO3+
#-llnl_gamma 4.1
log_k -145.540 #92GRE/FUG
delta_h 912.300 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -1085.6 #kJ/mol
-analytic 1.42879E+1 0E+0 -4.76527E+4 0E+0 0E+0
1.000UO2+2 + 1.000Cl- = UO2Cl+
#-llnl_gamma 4.1
log_k 0.170 #92GRE/FUG
delta_h 8.000 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -1178.08 #kJ/mol
-analytic 1.57154E+0 0E+0 -4.17868E+2 0E+0 0E+0
1.000UO2+2 + 2.000Cl- = UO2Cl2
#-llnl_gamma 3.4
log_k -1.100 #92GRE/FUG
delta_h 15.000 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -1338.16 #kJ/mol
-analytic 1.52788E+0 0E+0 -7.83503E+2 0E+0 0E+0
1.000UO2+2 - 6.000H+ - 6.000e- + 1.000Cl- + 3.000H2O = UO2ClO3+
#-llnl_gamma 4.1
log_k -145.740 #92GRE/FUG
delta_h 916.670 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -1126.9 #kJ/mol
-analytic 1.48535E+1 0E+0 -4.78809E+4 0E+0 0E+0
1.000UO2+2 + 1.000F- = UO2F+
#-llnl_gamma 4.1
log_k 5.160 #03GUI/FAN
delta_h 1.700 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -1352.65 #kJ/mol
-analytic 5.45783E+0 0E+0 -8.87971E+1 0E+0 0E+0
1.000UO2+2 + 2.000F- = UO2F2
#-llnl_gamma 3.4
log_k 8.830 #03GUI/FAN
delta_h 2.100 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -1687.6 #kJ/mol
-analytic 9.1979E+0 0E+0 -1.0969E+2 0E+0 0E+0
1.000UO2+2 + 3.000F- = UO2F3-
#-llnl_gamma 3.6
log_k 10.900 #03GUI/FAN
delta_h 2.350 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -2022.7 #kJ/mol
-analytic 1.13117E+1 0E+0 -1.22749E+2 0E+0 0E+0
1.000UO2+2 + 4.000F- = UO2F4-2
#-llnl_gamma 4.7
log_k 11.840 #03GUI/FAN
delta_h 0.290 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -2360.11 #kJ/mol
-analytic 1.18908E+1 0E+0 -1.51477E+1 0E+0 0E+0
1.000UO2+2 - 6.000H+ - 6.000e- + 1.000I- + 3.000H2O = UO2IO3+
#-llnl_gamma 4.1
log_k -109.560 #92GRE/FUG
delta_h 704.370 #kJ/mol #92GRE/FUG
# Enthalpy of formation: -1228.9 #kJ/mol
-analytic 1.38401E+1 0E+0 -3.67918E+4 0E+0 0E+0
1.000UO2+2 - 1.000H+ + 1.000H4(SiO4) = UO2SiO(OH)3+
#-llnl_gamma 4.1
log_k -1.840 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.84E+0 0E+0 0E+0 0E+0 0E+0
1.000U+4 + 1.000Ox-2 = UOx+2
#-llnl_gamma 5.5
log_k 10.670 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.067E+1 0E+0 0E+0 0E+0 0E+0
1.000Zn+2 - 1.000H+ - 2.000e- + 1.000Cn- + 1.000HSe- = Zn(SeCn)+
#-llnl_gamma 4.1
log_k 14.240
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.424E+1 0E+0 0E+0 0E+0 0E+0
1.000Zn+2 - 2.000H+ - 4.000e- + 2.000Cn- + 2.000HSe- = Zn(SeCn)2
#-llnl_gamma 3.4
log_k 27.730
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.773E+1 0E+0 0E+0 0E+0 0E+0
1.000Zn+2 + 1.000SeO4-2 = Zn(SeO4)
#-llnl_gamma 3.4
log_k 2.160 #05OLI/NOL
delta_h 4.600 #kJ/mol #05OLI/NOL
# Enthalpy of formation: -752.29 #kJ/mol
-analytic 2.96588E+0 0E+0 -2.40274E+2 0E+0 0E+0
4.000CO3-2 + 1.000Zr+4 = Zr(CO3)4-4
#-llnl_gamma 9.6
log_k 42.900 #05BRO/CUR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.29E+1 0E+0 0E+0 0E+0 0E+0
2.000NO3- + 1.000Zr+4 = Zr(NO3)2+2
#-llnl_gamma 5.7
log_k 2.640 #05BRO/CUR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.64E+0 0E+0 0E+0 0E+0 0E+0
- 1.000H+ + 1.000Zr+4 + 1.000H2O = Zr(OH)+3
#-llnl_gamma 8.2
log_k 0.320 #05BRO/CUR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.2E-1 0E+0 0E+0 0E+0 0E+0
- 2.000H+ + 1.000Zr+4 + 2.000H2O = Zr(OH)2+2
#-llnl_gamma 5.7
log_k 0.980 #05BRO/CUR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.8E-1 0E+0 0E+0 0E+0 0E+0
- 4.000H+ + 1.000Zr+4 + 4.000H2O = Zr(OH)4
#-llnl_gamma 3.4
log_k -2.190 #05BRO/CUR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.19E+0 0E+0 0E+0 0E+0 0E+0
- 6.000H+ + 1.000Zr+4 + 6.000H2O = Zr(OH)6-2
#-llnl_gamma 4.7
log_k -29.000 #05BRO/CUR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.9E+1 0E+0 0E+0 0E+0 0E+0
2.000SO4-2 + 1.000Zr+4 = Zr(SO4)2
#-llnl_gamma 3.4
log_k 11.540 #05BRO/CUR
delta_h 67.380 #kJ/mol
# Enthalpy of formation: -2359.8 #kJ/mol #05BRO/CUR
-analytic 2.33445E+1 0E+0 -3.5195E+3 0E+0 0E+0
3.000SO4-2 + 1.000Zr+4 = Zr(SO4)3-2
#-llnl_gamma 4.7
log_k 14.300 #05BRO/CUR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.43E+1 0E+0 0E+0 0E+0 0E+0
- 4.000H+ + 3.000Zr+4 + 4.000H2O = Zr3(OH)4+8
#-llnl_gamma 34.2
log_k 0.400 #05BRO/CUR
delta_h -1.980 #kJ/mol
# Enthalpy of formation: -2970.8 #kJ/mol #05BRO/CUR
-analytic 5.31194E-2 0E+0 1.03422E+2 0E+0 0E+0
- 15.000H+ + 4.000Zr+4 + 15.000H2O = Zr4(OH)15+
#-llnl_gamma 4.1
log_k 12.580 #05BRO/CUR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.258E+1 0E+0 0E+0 0E+0 0E+0
- 16.000H+ + 4.000Zr+4 + 16.000H2O = Zr4(OH)16
#-llnl_gamma 3.4
log_k 8.390 #05BRO/CUR
delta_h 301.120 #kJ/mol
# Enthalpy of formation: -6706.16 #kJ/mol #05BRO/CUR
-analytic 6.11439E+1 0E+0 -1.57286E+4 0E+0 0E+0
1.000Cl- + 1.000Zr+4 = ZrCl+3
#-llnl_gamma 8.2
log_k 1.590 #05BRO/CUR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.59E+0 0E+0 0E+0 0E+0 0E+0
2.000Cl- + 1.000Zr+4 = ZrCl2+2
#-llnl_gamma 5.7
log_k 2.170 #05BRO/CUR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.17E+0 0E+0 0E+0 0E+0 0E+0
1.000F- + 1.000Zr+4 = ZrF+3
#-llnl_gamma 8.2
log_k 10.120 #05BRO/CUR
delta_h -17.500 #kJ/mol #05BRO/CUR
# Enthalpy of formation: -961.35 #kJ/mol
-analytic 7.05414E+0 0E+0 9.14087E+2 0E+0 0E+0
2.000F- + 1.000Zr+4 = ZrF2+2
#-llnl_gamma 5.7
log_k 18.550 #05BRO/CUR
delta_h -16.800 #kJ/mol #05BRO/CUR
# Enthalpy of formation: -1296 #kJ/mol
-analytic 1.56068E+1 0E+0 8.77524E+2 0E+0 0E+0
3.000F- + 1.000Zr+4 = ZrF3+
#-llnl_gamma 4.1
log_k 24.720 #05BRO/CUR
delta_h -11.200 #kJ/mol #05BRO/CUR
# Enthalpy of formation: -1625.75 #kJ/mol
-analytic 2.27578E+1 0E+0 5.85016E+2 0E+0 0E+0
4.000F- + 1.000Zr+4 = ZrF4
#-llnl_gamma 3.4
log_k 30.110 #05BRO/CUR
delta_h -22.000 #kJ/mol #05BRO/CUR
# Enthalpy of formation: -1971.9 #kJ/mol
-analytic 2.62558E+1 0E+0 1.14914E+3 0E+0 0E+0
5.000F- + 1.000Zr+4 = ZrF5-
#-llnl_gamma 3.6
log_k 34.600 #05BRO/CUR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.46E+1 0E+0 0E+0 0E+0 0E+0
6.000F- + 1.000Zr+4 = ZrF6-2
#-llnl_gamma 4.7
log_k 38.110 #05BRO/CUR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.811E+1 0E+0 0E+0 0E+0 0E+0
1.000NO3- + 1.000Zr+4 = ZrNO3+3
#-llnl_gamma 8.2
log_k 1.590 #05BRO/CUR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.59E+0 0E+0 0E+0 0E+0 0E+0
1.000SO4-2 + 1.000Zr+4 = ZrSO4+2
#-llnl_gamma 5.7
log_k 7.040 #05BRO/CUR
delta_h 36.940 #kJ/mol
# Enthalpy of formation: -1480.9 #kJ/mol #05BRO/CUR
-analytic 1.35116E+1 0E+0 -1.92951E+3 0E+0 0E+0
PHASES
(UO2)2(As2O7)(cr)
(UO2)2(As2O7) = 2.000UO2+2 + 2.000H+ + 2.000AsO4-3 - 1.000H2O
log_k -29.010
delta_h -102.450 #kJ/mol
# Enthalpy of formation: -3426 #kJ/mol #92GRE/FUG
-analytic -4.69584E+1 0E+0 5.35133E+3 0E+0 0E+0
# -Vm 0
(UO2)3(AsO4)2(cr)
(UO2)3(AsO4)2 = 3.000UO2+2 + 2.000AsO4-3
log_k -27.400
delta_h -143.880 #kJ/mol
# Enthalpy of formation: -4689.4 #kJ/mol #92GRE/FUG
-analytic -5.26067E+1 0E+0 7.51536E+3 0E+0 0E+0
# -Vm 0
(UO2)3(PO4)2(cr)
(UO2)3(PO4)2 = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)-
log_k 2.800
delta_h -170.900 #kJ/mol
# Enthalpy of formation: -5491.3 #kJ/mol #92GRE/FUG
-analytic -2.71404E+1 0E+0 8.92672E+3 0E+0 0E+0
# -Vm 0
(UO2)3(PO4)2:4H2O(cr)
(UO2)3(PO4)2:4H2O = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- + 4.000H2O
log_k -14.150 #92SAN/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.415E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
(UO2)3(PO4)2:6H2O(s)
(UO2)3(PO4)2:6H2O = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- + 6.000H2O
log_k -10.200
delta_h -48.780 #kJ/mol
# Enthalpy of formation: -7328.4 #kJ/mol #03GUI/FAN
-analytic -1.87459E+1 0E+0 2.54795E+3 0E+0 0E+0
# -Vm 0
Acanthite
Ag2S = 2.000Ag+ - 1.000H+ + 1.000HS-
log_k -36.070
delta_h 224.768 #kJ/mol
# Enthalpy of formation: -29.488 #kJ/mol
-analytic 3.30761E+0 0E+0 -1.17404E+4 0E+0 0E+0
# -Vm 0
Acmite
NaFeSi2O6 = 1.000Na+ + 1.000Fe+3 - 4.000H+ + 2.000H4(SiO4) - 2.000H2O
log_k 0.910
delta_h -55.568 #kJ/mol
# Enthalpy of formation: -2584.5 #kJ/mol #95ROB/HEM
-analytic -8.82508E+0 0E+0 2.90251E+3 0E+0 0E+0
-Vm 64.6
Afwillite
Ca3Si2O4(OH)6 = 3.000Ca+2 - 6.000H+ + 2.000H4(SiO4) + 2.000H2O
log_k 49.420 #10BLA/BOU1
delta_h -269.228 #kJ/mol
# Enthalpy of formation: -4853.82 #kJ/mol #10BLA/BOU1
-analytic 2.25335E+0 0E+0 1.40627E+4 0E+0 0E+0
-Vm 129.53
Ag(OH)(s)
Ag(OH) = 1.000Ag+ - 1.000H+ + 1.000H2O
log_k 6.300 #76BAE/MES
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.3E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ag(SeCn)(cr)
Ag(SeCn) = 1.000Ag+ - 1.000H+ - 2.000e- + 1.000Cn- + 1.000HSe-
log_k -27.030
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.703E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ag(cr)
Ag = 1.000Ag+ + 1.000e-
log_k -13.510
delta_h 105.790 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #95SIL/BID
-analytic 5.02359E+0 0E+0 -5.52579E+3 0E+0 0E+0
# -Vm 0
Ag2(CO3)(s)
Ag2(CO3) = 2.000Ag+ + 1.000CO3-2
log_k -11.050
delta_h 42.072 #kJ/mol
# Enthalpy of formation: -505.723 #kJ/mol
-analytic -3.67931E+0 0E+0 -2.19757E+3 0E+0 0E+0
# -Vm 0
Ag2(MoO4)(s)
Ag2(MoO4) = 2.000Ag+ + 1.000MoO4-2
log_k -11.460
delta_h 55.324 #kJ/mol
# Enthalpy of formation: -840.744 #kJ/mol
-analytic -1.76767E+0 0E+0 -2.88977E+3 0E+0 0E+0
# -Vm 0
Ag2(SO4)(s)
Ag2(SO4) = 2.000Ag+ + 1.000SO4-2
log_k -5.010
delta_h 18.163 #kJ/mol
# Enthalpy of formation: -715.922 #kJ/mol
-analytic -1.82798E+0 0E+0 -9.48718E+2 0E+0 0E+0
# -Vm 0
Ag2(SeO3)(s)
Ag2(SeO3) = 2.000Ag+ + 1.000SeO3-2
log_k -15.800 #05OLI/NOL
delta_h 67.860 #kJ/mol
# Enthalpy of formation: -363.44 #kJ/mol #05OLI/NOL
-analytic -3.91146E+0 0E+0 -3.54457E+3 0E+0 0E+0
# -Vm 0
Ag2(SeO4)(s)
Ag2(SeO4) = 2.000Ag+ + 1.000SeO4-2
log_k -7.860 #05OLI/NOL
delta_h 30.590 #kJ/mol
# Enthalpy of formation: -422.51 #kJ/mol #05OLI/NOL
-analytic -2.50087E+0 0E+0 -1.59782E+3 0E+0 0E+0
# -Vm 0
Ag2Se(alfa)
Ag2Se = 2.000Ag+ - 1.000H+ + 1.000HSe-
log_k -42.850
delta_h 266.009 #kJ/mol
# Enthalpy of formation: -40.129 #kJ/mol
-analytic 3.75271E+0 0E+0 -1.38946E+4 0E+0 0E+0
# -Vm 0
Ag3(PO4)(s)
Ag3(PO4) = 3.000Ag+ - 2.000H+ + 1.000H2(PO4)-
log_k 2.010 #03BÖT in 76SMI/MAR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.01E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
AgBr(s)
AgBr = 1.000Ag+ + 1.000Br-
log_k -12.290
delta_h 84.726 #kJ/mol
# Enthalpy of formation: -100.345 #kJ/mol
-analytic 2.55334E+0 0E+0 -4.42554E+3 0E+0 0E+0
# -Vm 0
AgCl(cr)
AgCl = 1.000Ag+ + 1.000Cl-
log_k -9.750
delta_h 65.720 #kJ/mol
# Enthalpy of formation: -127.01 #kJ/mol #92GRE/FUG
-analytic 1.76363E+0 0E+0 -3.43279E+3 0E+0 0E+0
# -Vm 0
AgI(s)
AgI = 1.000Ag+ + 1.000I-
log_k -16.040
delta_h 110.764 #kJ/mol
# Enthalpy of formation: -61.754 #kJ/mol
-analytic 3.36499E+0 0E+0 -5.7856E+3 0E+0 0E+0
# -Vm 0
Al(PO4)(cr)
Al(PO4) = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)-
log_k -3.620
delta_h -18.200 #kJ/mol
# Enthalpy of formation: -1822.8 #kJ/mol #03-91 MINTEQL-PSI
-analytic -6.8085E+0 0E+0 9.50651E+2 0E+0 0E+0
# -Vm 0
Al(PO4):2H2O(s)
Al(PO4):2H2O = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)- + 2.000H2O
log_k -2.510 #620BRG91.025 ANDRA 21.10.94
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.51E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Al(cr)
Al = 1.000Al+3 + 3.000e-
log_k 85.430
delta_h -538.400 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #95POK/HEL
-analytic -8.89349E+0 0E+0 2.81225E+4 0E+0 0E+0
# -Vm 0
Al2(OH)(PO4)2(s)
Al2(OH)(PO4)2 = 2.000Al+3 - 5.000H+ - 1.000e- + 2.000H2(PO4)- + 1.000H2O
log_k -15.880 #620BRG91.025 ANDRA 21.10.94
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.588E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Alabandite
MnS = 1.000Mn+2 - 1.000H+ + 1.000HS-
log_k 0.900 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9E-1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Alamosite
PbSiO3 = 1.000Pb+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O
log_k 6.170
delta_h -29.451 #kJ/mol
# Enthalpy of formation: -1144.993 #kJ/mol #98CHA
-analytic 1.01041E+0 0E+0 1.53833E+3 0E+0 0E+0
# -Vm 0
Albite-high
NaAlSi3O8 = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O
log_k 4.140
delta_h -95.622 #kJ/mol
# Enthalpy of formation: -3923.38 #kJ/mol #99ARN/STE
-analytic -1.26122E+1 0E+0 4.99468E+3 0E+0 0E+0
# -Vm 0
Albite-low
NaAlSi3O8 = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O
log_k 2.740
delta_h -82.812 #kJ/mol
# Enthalpy of formation: -3936.19 #kJ/mol #99ARN/STE
-analytic -1.1768E+1 0E+0 4.32557E+3 0E+0 0E+0
# -Vm 0
Am(CO3)(OH)(am)
Am(CO3)(OH) = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.000H2O
log_k -6.200 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.2E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Am(CO3)(OH)(cr)
Am(CO3)(OH) = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.000H2O
log_k -11.510
delta_h -25.260 #kJ/mol
# Enthalpy of formation: -1552.5 #kJ/mol #05ROR/FUG
-analytic -1.59354E+1 0E+0 1.31942E+3 0E+0 0E+0
# -Vm 0
Am(CO3)(OH):0.5H2O(cr)
Am(CO3)(OH):0.5H2O = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.500H2O
log_k -8.400 #03GUI/FAN
delta_h -37.775 #kJ/mol
# Enthalpy of formation: -1682.9 #kJ/mol #03GUI/FAN
-analytic -1.50179E+1 0E+0 1.97312E+3 0E+0 0E+0
# -Vm 0
Am(CO3)2Na:5H2O(s)
Am(CO3)2Na:5H2O = 1.000Na+ + 1.000Am+3 + 2.000CO3-2 + 5.000H2O
log_k -21.000 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Am(OH)3(am)
Am(OH)3 = - 3.000H+ + 1.000Am+3 + 3.000H2O
log_k 16.900 #03GUI/FAN, 83RAI/STR, 83EDE/BUC, 85NIT/EDE
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.69E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Am(OH)3(cr)
Am(OH)3 = - 3.000H+ + 1.000Am+3 + 3.000H2O
log_k 15.600 #03GUI/FAN, 82SIL, 88STA/KIM1
delta_h -120.992 #kJ/mol
# Enthalpy of formation: -1353.198 #kJ/mol
-analytic -5.59686E+0 0E+0 6.31984E+3 0E+0 0E+0
# -Vm 0
Am(PO4):xH2O(am)
Am(PO4) = - 2.000H+ + 1.000Am+3 + 1.000H2(PO4)-
log_k -5.230 #95SIL/BID
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.23E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Am(cr)
Am = 1.000Am+3 + 3.000e-
log_k 104.890
delta_h -616.700 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #95SIL/BID
-analytic -3.15104E+0 0E+0 3.22124E+4 0E+0 0E+0
# -Vm 0
Am2(CO3)3(cr)
Am2(CO3)3 = 2.000Am+3 + 3.000CO3-2
log_k -33.400 #95SIL/BID
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.34E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Am2O3(cr)
Am2O3 = - 6.000H+ + 2.000Am+3 + 3.000H2O
log_k 53.150
delta_h -400.490 #kJ/mol
# Enthalpy of formation: -1690.4 #kJ/mol #95SIL/BID
-analytic -1.70127E+1 0E+0 2.0919E+4 0E+0 0E+0
# -Vm 0
AmBr3(cr)
AmBr3 = 1.000Am+3 + 3.000Br-
log_k 23.930
delta_h -176.930 #kJ/mol
# Enthalpy of formation: -804 #kJ/mol #03GUI/FAN
-analytic -7.06676E+0 0E+0 9.24168E+3 0E+0 0E+0
# -Vm 0
AmCl3(cr)
AmCl3 = 1.000Am+3 + 3.000Cl-
log_k 15.290
delta_h -140.140 #kJ/mol
# Enthalpy of formation: -977.8 #kJ/mol #95SIL/BID
-analytic -9.26144E+0 0E+0 7.32001E+3 0E+0 0E+0
# -Vm 0
AmCl6Cs2Na(cr)
AmCl6Cs2Na = 1.000Na+ + 2.000Cs+ + 1.000Am+3 + 6.000Cl-
log_k 12.560
delta_h -59.720 #kJ/mol
# Enthalpy of formation: -2315.8 #kJ/mol #03GUI/FAN
-analytic 2.09752E+0 0E+0 3.11939E+3 0E+0 0E+0
# -Vm 0
AmF3(cr)
AmF3 = 1.000Am+3 + 3.000F-
log_k -13.400
delta_h -28.750 #kJ/mol
# Enthalpy of formation: -1594 #kJ/mol #03GUI/FAN
-analytic -1.84368E+1 0E+0 1.50171E+3 0E+0 0E+0
# -Vm 0
AmI3(cr)
AmI3 = 1.000Am+3 + 3.000I-
log_k 25.300
delta_h -172.040 #kJ/mol
# Enthalpy of formation: -615 #kJ/mol #03GUI/FAN
-analytic -4.84007E+0 0E+0 8.98626E+3 0E+0 0E+0
# -Vm 0
AmO2(cr)
AmO2 = - 4.000H+ + 1.000Am+3 - 1.000e- + 2.000H2O
log_k 34.210
delta_h -256.160 #kJ/mol
# Enthalpy of formation: -932.2 #kJ/mol #95SIL/BID
-analytic -1.06672E+1 0E+0 1.33801E+4 0E+0 0E+0
# -Vm 0
AmO2OH(am)
AmO2OH = - 1.000H+ + 1.000AmO2+ + 1.000H2O
log_k 5.300 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.3E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
AmOBr(cr)
AmOBr = - 2.000H+ + 1.000Am+3 + 1.000Br- + 1.000H2O
log_k 15.980
delta_h -136.940 #kJ/mol
# Enthalpy of formation: -887 #kJ/mol #03GUI/FAN
-analytic -8.01082E+0 0E+0 7.15286E+3 0E+0 0E+0
# -Vm 0
AmOCl(cr)
AmOCl = - 2.000H+ + 1.000Am+3 + 1.000Cl- + 1.000H2O
log_k 12.260
delta_h -119.810 #kJ/mol
# Enthalpy of formation: -949.8 #kJ/mol #95SIL/BID
-analytic -8.72978E+0 0E+0 6.2581E+3 0E+0 0E+0
# -Vm 0
Amesite
Mg4Al4Si2O10(OH)8 = 4.000Mg+2 + 4.000Al+3 - 20.000H+ + 2.000H4(SiO4) + 10.000H2O
log_k 69.390
delta_h -766.388 #kJ/mol
# Enthalpy of formation: -9035.9 #kJ/mol #05VID/PAR
-analytic -6.48752E+1 0E+0 4.00312E+4 0E+0 0E+0
-Vm 205.2
Amesite-Fe
Fe4Al4Si2O10(OH)8 = 4.000Fe+2 + 4.000Al+3 - 20.000H+ + 2.000H4(SiO4) + 10.000H2O
log_k 57.020
delta_h -686.828 #kJ/mol
# Enthalpy of formation: -7607.46 #kJ/mol #05VID/PAR
-analytic -6.33069E+1 0E+0 3.58755E+4 0E+0 0E+0
-Vm 209
Analcime
Na0.99Al0.99Si2.01O6:H2O = 0.990Na+ + 0.990Al+3 - 3.960H+ + 2.010H4(SiO4) - 1.040H2O
log_k 6.640
delta_h -102.689 #kJ/mol
# Enthalpy of formation: -3308 #kJ/mol #04NEU/HOV
-analytic -1.13503E+1 0E+0 5.36381E+3 0E+0 0E+0
-Vm 97.09
Anapaite
Ca2Fe(PO4)2:4H2O = 2.000Ca+2 + 1.000Fe+2 - 4.000H+ + 2.000H2(PO4)- + 4.000H2O
log_k 5.020 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.02E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Anglesite
Pb(SO4) = 1.000Pb+2 + 1.000SO4-2
log_k -7.850
delta_h 11.550 #kJ/mol
# Enthalpy of formation: -919.97 #kJ/mol #89COX/WAG
-analytic -5.82653E+0 0E+0 -6.03298E+2 0E+0 0E+0
# -Vm 0
Anhydrite
Ca(SO4) = 1.000Ca+2 + 1.000SO4-2
log_k -4.440
delta_h -17.940 #kJ/mol
# Enthalpy of formation: -1434.4 #kJ/mol #95ROB/HEM
-analytic -7.58295E+0 0E+0 9.3707E+2 0E+0 0E+0
# -Vm 0
Annite
KFe3Si3AlO10(OH)2 = 1.000K+ + 3.000Fe+2 + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4)
log_k 32.760
delta_h -313.152 #kJ/mol
# Enthalpy of formation: -5130.97 #kJ/mol #95DAC/BEN
-analytic -2.21018E+1 0E+0 1.6357E+4 0E+0 0E+0
-Vm 154.3
Anorthite
CaAl2Si2O8 = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 2.000H4(SiO4)
log_k 25.310
delta_h -314.358 #kJ/mol
# Enthalpy of formation: -4227.83 #kJ/mol #99ARN/STE
-analytic -2.97631E+1 0E+0 1.642E+4 0E+0 0E+0
# -Vm 0
Antarcticite
CaCl2:6H2O = 1.000Ca+2 + 2.000Cl- + 6.000H2O
log_k 3.940
delta_h 13.990 #kJ/mol
# Enthalpy of formation: -2606.13 #kJ/mol #87GAR/PAR
-analytic 6.39094E+0 0E+0 -7.30748E+2 0E+0 0E+0
# -Vm 0
Antigorite
Mg48Si34O85(OH)62 = 48.000Mg+2 - 96.000H+ + 34.000H4(SiO4) + 11.000H2O
log_k 499.890
delta_h -3822.746 #kJ/mol
# Enthalpy of formation: -71417.98 #kJ/mol #98HOL/POW
-analytic -1.69825E+2 0E+0 1.99676E+5 0E+0 0E+0
-Vm 1754.8
Aragonite
CaCO3 = 1.000Ca+2 + 1.000CO3-2
log_k -8.310
delta_h -10.454 #kJ/mol
# Enthalpy of formation: -1207.776 #kJ/mol #87GAR/PAR
-analytic -1.01415E+1 0E+0 5.4605E+2 0E+0 0E+0
# -Vm 0
Arcanite
K2SO4 = 2.000K+ + 1.000SO4-2
log_k -1.850
delta_h 24.080 #kJ/mol
# Enthalpy of formation: -1437.7 #kJ/mol #95ROB/HEM
-analytic 2.36863E+0 0E+0 -1.25778E+3 0E+0 0E+0
# -Vm 0
Artinite
Mg2(CO3)(OH)2:3H2O = 2.000Mg+2 - 2.000H+ + 1.000CO3-2 + 5.000H2O
log_k 9.810
delta_h -117.780 #kJ/mol
# Enthalpy of formation: -2920.6 #kJ/mol #73HEM/ROB
-analytic -1.08241E+1 0E+0 6.15207E+3 0E+0 0E+0
# -Vm 0
As(cr)
As = 8.000H+ + 5.000e- + 1.000AsO4-3 - 4.000H2O
log_k -52.590
delta_h 255.180 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #09RAN/FUG
-analytic -7.88445E+0 0E+0 -1.3329E+4 0E+0 0E+0
# -Vm 0
As2O5(s)
As2O5 = 6.000H+ + 2.000AsO4-3 - 3.000H2O
log_k -35.340
delta_h 10.640 #kJ/mol
# Enthalpy of formation: -929.43 #kJ/mol #65BEE/MOR
-analytic -3.3476E+1 0E+0 -5.55765E+2 0E+0 0E+0
# -Vm 0
B(OH)3(cr)
B(OH)3 = 1.000H+ + 1.000B(OH)4- - 1.000H2O
log_k -9.310
delta_h 35.514 #kJ/mol
# Enthalpy of formation: -1094.8 #kJ/mol #01LEM/FUG
-analytic -3.08822E+0 0E+0 -1.85502E+3 0E+0 0E+0
# -Vm 0
B(cr)
B = 4.000H+ + 3.000e- + 1.000B(OH)4- - 4.000H2O
log_k 35.930
delta_h -201.796 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
-analytic 5.7691E-1 0E+0 1.05405E+4 0E+0 0E+0
# -Vm 0
B2O3(am)
B2O3 = 2.000H+ + 2.000B(OH)4- - 5.000H2O
log_k -10.630
delta_h -6.712 #kJ/mol
# Enthalpy of formation: -1254.371 #kJ/mol
-analytic -1.18059E+1 0E+0 3.50592E+2 0E+0 0E+0
# -Vm 0
B2O3(cr)
B2O3 = 2.000H+ + 2.000B(OH)4- - 5.000H2O
log_k -12.740
delta_h 12.418 #kJ/mol
# Enthalpy of formation: -1273.5 #kJ/mol #01LEM/FUG
-analytic -1.05645E+1 0E+0 -6.48636E+2 0E+0 0E+0
# -Vm 0
Ba(OH)2:8H2O(cr)
Ba(OH)2:8H2O = 1.000Ba+2 - 2.000H+ + 10.000H2O
log_k 23.870
delta_h -52.506 #kJ/mol
# Enthalpy of formation: -3340.591 #kJ/mol
-analytic 1.46714E+1 0E+0 2.74258E+3 0E+0 0E+0
# -Vm 0
Ba(SeO3)(s)
Ba(SeO3) = 1.000Ba+2 + 1.000SeO3-2
log_k -6.500 #05OLI/NOL
delta_h -5.260 #kJ/mol
# Enthalpy of formation: -1036.7 #kJ/mol #05OLI/NOL
-analytic -7.42151E+0 0E+0 2.74749E+2 0E+0 0E+0
# -Vm 0
Ba(SeO4)(cr)
Ba(SeO4) = 1.000Ba+2 + 1.000SeO4-2
log_k -7.560 #05OLI/NOL
delta_h 5.700 #kJ/mol
# Enthalpy of formation: -1144 #kJ/mol #05OLI/NOL
-analytic -6.5614E+0 0E+0 -2.97731E+2 0E+0 0E+0
# -Vm 0
Ba(cr)
Ba = 1.000Ba+2 + 2.000e-
log_k 97.700
delta_h -534.800 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
-analytic 4.0072E+0 0E+0 2.79345E+4 0E+0 0E+0
# -Vm 0
BaCl2(cr)
BaCl2 = 1.000Ba+2 + 2.000Cl-
log_k 2.300
delta_h -13.760 #kJ/mol
# Enthalpy of formation: -855.2 #kJ/mol #95SIL/BID
-analytic -1.10645E-1 0E+0 7.18734E+2 0E+0 0E+0
# -Vm 0
BaCl2:2H2O(s)
BaCl2:2H2O = 1.000Ba+2 + 2.000Cl- + 2.000H2O
log_k -0.340
delta_h 19.420 #kJ/mol
# Enthalpy of formation: -1460.038 #kJ/mol
-analytic 3.06223E+0 0E+0 -1.01438E+3 0E+0 0E+0
# -Vm 0
BaCl2:H2O(s)
BaCl2:H2O = 1.000Ba+2 + 2.000Cl- + 1.000H2O
log_k 0.280
delta_h 5.747 #kJ/mol
# Enthalpy of formation: -1160.536 #kJ/mol
-analytic 1.28683E+0 0E+0 -3.00186E+2 0E+0 0E+0
# -Vm 0
BaF2(cr)
BaF2 = 1.000Ba+2 + 2.000F-
log_k -6.320
delta_h 1.644 #kJ/mol
# Enthalpy of formation: -1207.143 #kJ/mol
-analytic -6.03198E+0 0E+0 -8.5872E+1 0E+0 0E+0
# -Vm 0
BaHPO4(s)
BaHPO4 = 1.000Ba+2 - 1.000H+ + 1.000H2(PO4)-
log_k -0.190 #66SPI/MIK in 76SMI/MAR
delta_h -22.800 #kJ/mol
# Enthalpy of formation: -1814.6 #kJ/mol #82WAG/EVA
-analytic -4.18438E+0 0E+0 1.19093E+3 0E+0 0E+0
# -Vm 0
BaMoO4(s)
BaMoO4 = 1.000Ba+2 + 1.000MoO4-2
log_k -7.830
delta_h 13.779 #kJ/mol
# Enthalpy of formation: -1545.578 #kJ/mol
-analytic -5.41603E+0 0E+0 -7.19726E+2 0E+0 0E+0
# -Vm 0
BaO(cr)
BaO = 1.000Ba+2 - 2.000H+ + 1.000H2O
log_k 48.070
delta_h -272.530 #kJ/mol
# Enthalpy of formation: -548.1 #kJ/mol #95SIL/BID
-analytic 3.24864E-1 0E+0 1.42352E+4 0E+0 0E+0
# -Vm 0
BaS(s)
BaS = 1.000Ba+2 - 1.000H+ + 1.000HS-
log_k 15.660
delta_h -90.248 #kJ/mol
# Enthalpy of formation: -460.852 #kJ/mol
-analytic -1.50748E-1 0E+0 4.71397E+3 0E+0 0E+0
# -Vm 0
Barite
Ba(SO4) = 1.000Ba+2 + 1.000SO4-2
log_k -9.970 #85LAN/MEL in 90NOR/PLU
delta_h 26.460 #kJ/mol #85LAN/MEL in 90NOR/PLU
# Enthalpy of formation: -1470.6 #kJ/mol
-analytic -5.33441E+0 0E+0 -1.3821E+3 0E+0 0E+0
# -Vm 0
Bassanite
CaSO4:0.5H2O = 1.000Ca+2 + 1.000SO4-2 + 0.500H2O
log_k -3.920 #06BLA/PIA
delta_h -17.358 #kJ/mol
# Enthalpy of formation: -1577.897 #kJ/mol
-analytic -6.96099E+0 0E+0 9.0667E+2 0E+0 0E+0
# -Vm 0
Bassetite
Fe(UO2)2(PO4)2 = 1.000Fe+2 + 2.000UO2+2 - 4.000H+ + 2.000H2(PO4)-
log_k -1.070 #65MUT/HIR
delta_h -36.469 #kJ/mol
# Enthalpy of formation: -4696.731 #kJ/mol
-analytic -7.45909E+0 0E+0 1.90491E+3 0E+0 0E+0
# -Vm 0
Becquerelite(nat)
Ca(UO2)6O4(OH)6:8H2O = 1.000Ca+2 + 6.000UO2+2 - 14.000H+ + 18.000H2O
log_k 29.000 #97CAS/BRU
delta_h -378.310 #kJ/mol
# Enthalpy of formation: -11423.63 #kJ/mol #99CHE/EWI
-analytic -3.7277E+1 0E+0 1.97605E+4 0E+0 0E+0
# -Vm 0
Becquerelite(syn)
Ca(UO2)6O4(OH)6:8H2O = 1.000Ca+2 + 6.000UO2+2 - 14.000H+ + 18.000H2O
log_k 40.500 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.05E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Beidellite-Ca
Ca0.17Al2.34Si3.66O10(OH)2 = 0.170Ca+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
log_k 5.770
delta_h -207.635 #kJ/mol
# Enthalpy of formation: -5737.91 #kJ/mol #15BLA/VIE
-analytic -3.0606E+1 0E+0 1.08455E+4 0E+0 0E+0
-Vm 134.1
Beidellite-K
K0.34Al2.34Si3.66O10(OH)2 = 0.340K+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
log_k 4.600
delta_h -189.102 #kJ/mol
# Enthalpy of formation: -5749.86 #kJ/mol #15BLA/VIE
-analytic -2.85292E+1 0E+0 9.87747E+3 0E+0 0E+0
-Vm 133.22
Beidellite-Mg
Mg0.17Al2.34Si3.66O10(OH)2 = 0.170Mg+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
log_k 5.230
delta_h -208.815 #kJ/mol
# Enthalpy of formation: -5723.81 #kJ/mol #15BLA/VIE
-analytic -3.13528E+1 0E+0 1.09072E+4 0E+0 0E+0
-Vm 130.11
Beidellite-Na
Na0.34Al2.34Si3.66O10(OH)2 = 0.340Na+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
log_k 5.100
delta_h -197.720 #kJ/mol
# Enthalpy of formation: -5737.23 #kJ/mol #15BLA/VIE
-analytic -2.9539E+1 0E+0 1.03276E+4 0E+0 0E+0
-Vm 132.49
Beidellite_SBld-1
Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 = 0.185Ca+2 + 0.090Mg+2 + 0.104K+ + 0.112Fe+3 + 2.238Al+3 - 7.704H+ + 3.574H4(SiO4) - 2.296H2O
log_k 7.580
delta_h -224.486 #kJ/mol
# Enthalpy of formation: -5720.69 #kJ/mol #12GAI/BLA
-analytic -3.17482E+1 0E+0 1.17257E+4 0E+0 0E+0
-Vm 137.98
Beidellite_SBld-1(4.576H2O)
Ca0.185K0.104Si3.574Al2.238Mg0.090Fe0.112O10(OH)2:4.576H2O = 0.185Ca+2 + 0.090Mg+2 + 0.104K+ + 0.112Fe+3 + 2.238Al+3 - 7.704H+ + 3.574H4(SiO4) + 2.280H2O
log_k 4.260
delta_h -193.685 #kJ/mol
# Enthalpy of formation: -7059.45 #kJ/mol #12GAI/BLA
-analytic -2.96721E+1 0E+0 1.01169E+4 0E+0 0E+0
-Vm 220.67
Berlinite
Al(PO4) = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)-
log_k -0.570 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.7E-1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Berndtite
SnS2 = 1.000Sn+4 - 2.000H+ + 2.000HS-
log_k -37.560
delta_h 87.389 #kJ/mol
# Enthalpy of formation: -151.5 #kJ/mol #12GAM/GAJ
-analytic -2.22501E+1 0E+0 -4.56464E+3 0E+0 0E+0
# -Vm 0
Berthierine(FeII)
(Fe2Al)(SiAl)O5(OH)4 = 2.000Fe+2 + 2.000Al+3 - 10.000H+ + 1.000H4(SiO4) + 5.000H2O
log_k 34.570
delta_h -376.684 #kJ/mol
# Enthalpy of formation: -3770.46 #kJ/mol #15BLA/VIE
-analytic -3.14221E+1 0E+0 1.96755E+4 0E+0 0E+0
-Vm 103.86
Berthierine(FeIII)
(Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 = 0.330Fe+3 + 2.340Fe+2 + 0.990Al+3 - 8.640H+ + 1.340H4(SiO4) + 3.640H2O
log_k 28.810
delta_h -300.177 #kJ/mol
# Enthalpy of formation: -3458.03 #kJ/mol #15BLA/VIE
-analytic -2.37787E+1 0E+0 1.56793E+4 0E+0 0E+0
-Vm 103.27
Berthierine_ISGS
(Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 = 0.157Mg+2 + 0.182Fe+3 + 1.440Fe+2 + 1.644Al+3 - 8.672H+ + 1.332H4(SiO4) + 3.672H2O
log_k 27.910
delta_h -318.385 #kJ/mol
# Enthalpy of formation: -3774.46 #kJ/mol #13BLA/GAI2
-analytic -2.78686E+1 0E+0 1.66304E+4 0E+0 0E+0
-Vm 101.16
Berthierine_Lorraine
Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 = 0.370Mg+2 + 0.936Fe+3 + 0.608Fe+2 + 1.052Al+3 - 7.920H+ + 1.520H4(SiO4) + 2.920H2O
log_k 1.020
delta_h -162.509 #kJ/mol
# Enthalpy of formation: -3732.9 #kJ/mol #08GAI
-analytic -2.74503E+1 0E+0 8.48842E+3 0E+0 0E+0
-Vm 103.8
Bieberite
CoSO4:7H2O = 1.000Co+2 + 1.000SO4-2 + 7.000H2O
log_k -2.350
delta_h 11.840 #kJ/mol
# Enthalpy of formation: -2979.59 #kJ/mol #74NAU/RYZ
-analytic -2.75724E-1 0E+0 -6.18445E+2 0E+0 0E+0
# -Vm 0
Bischofite
MgCl2:6H2O = 1.000Mg+2 + 2.000Cl- + 6.000H2O
log_k 4.460 #84HAR/MOL
delta_h -8.710 #kJ/mol
# Enthalpy of formation: -2507.43 #kJ/mol #84HAR/MOL
-analytic 2.93408E+0 0E+0 4.54954E+2 0E+0 0E+0
# -Vm 0
Bloedite
Na2Mg(SO4)2:4H2O = 1.000Mg+2 + 2.000Na+ + 2.000SO4-2 + 4.000H2O
log_k -2.350 #84HAR/MOL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.35E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Boehmite
AlO(OH) = 1.000Al+3 - 3.000H+ + 2.000H2O
log_k 7.620
delta_h -113.660 #kJ/mol
# Enthalpy of formation: -996.4 #kJ/mol #95ROB/HEM
-analytic -1.22923E+1 0E+0 5.93687E+3 0E+0 0E+0
# -Vm 0
Br2(l)
Br2 = - 2.000e- + 2.000Br-
log_k 36.390
delta_h -242.820 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic -6.15018E+0 0E+0 1.26834E+4 0E+0 0E+0
# -Vm 0
Brucite
Mg(OH)2 = 1.000Mg+2 - 2.000H+ + 2.000H2O
log_k 17.100 #03ALT/MET
delta_h -114.160 #kJ/mol
# Enthalpy of formation: -924.5 #kJ/mol #95ROB/HEM
-analytic -2.89994E+0 0E+0 5.96298E+3 0E+0 0E+0
-Vm 23.63
Brushite
Ca(HPO4):2H2O = 1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- + 2.000H2O
log_k 0.600 #84NAN
delta_h -7.375 #kJ/mol
# Enthalpy of formation: -2409.884 #kJ/mol
-analytic -6.92043E-1 0E+0 3.85223E+2 0E+0 0E+0
# -Vm 0
Bunsenite
NiO = 1.000Ni+2 - 2.000H+ + 1.000H2O
log_k 12.480
delta_h -101.142 #kJ/mol
# Enthalpy of formation: -239.7 #kJ/mol #05GAM/BUG
-analytic -5.23929E+0 0E+0 5.28301E+3 0E+0 0E+0
# -Vm 0
Burkeite
Na6(CO3)(SO4)2 = 6.000Na+ + 1.000CO3-2 + 2.000SO4-2
log_k -0.770 #84HAR/MOL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -7.7E-1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
C(cr)
C = 6.000H+ + 4.000e- + 1.000CO3-2 - 3.000H2O
log_k -32.150
delta_h 182.260 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic -2.19466E-1 0E+0 -9.52009E+3 0E+0 0E+0
# -Vm 0
C2SH(alpha)
Ca2(HSiO4)(OH) = 2.000Ca+2 - 4.000H+ + 1.000H4(SiO4) + 1.000H2O
log_k 35.540
delta_h -198.104 #kJ/mol
# Enthalpy of formation: -2634.92 #kJ/mol #10BLA/BOU1
-analytic 8.3372E-1 0E+0 1.03477E+4 0E+0 0E+0
-Vm 71.12
C3AH6
Ca3Al2(OH)12 = 3.000Ca+2 + 2.000Al+3 - 12.000H+ + 12.000H2O
log_k 80.320 #10BLA/BOU2
delta_h -584.260 #kJ/mol
# Enthalpy of formation: -5551.5 #kJ/mol #99SCH/NAV
-analytic -2.20378E+1 0E+0 3.0518E+4 0E+0 0E+0
-Vm 149.52
C3FH6
Ca3Fe2(OH)12 = 3.000Ca+2 + 2.000Fe+3 - 12.000H+ + 12.000H2O
log_k 72.370
delta_h -509.370 #kJ/mol
# Enthalpy of formation: -4647.59 #kJ/mol #10BLA/BOU2
-analytic -1.68677E+1 0E+0 2.66062E+4 0E+0 0E+0
-Vm 154.5
C4AH13
Ca4Al2(OH)14:6H2O = 4.000Ca+2 + 2.000Al+3 - 14.000H+ + 20.000H2O
log_k 103.650 #10BLA/BOU2
delta_h -647.400 #kJ/mol
# Enthalpy of formation: -8318 #kJ/mol #76HOU/STE
-analytic -9.76944E+0 0E+0 3.3816E+4 0E+0 0E+0
-Vm 269.2
C4FH13
Ca4Fe2(OH)14:6H2O = 4.000Ca+2 + 2.000Fe+3 - 14.000H+ + 20.000H2O
log_k 95.120
delta_h -569.200 #kJ/mol
# Enthalpy of formation: -7417.4 #kJ/mol #10BLA/BOU2
-analytic -4.59941E+0 0E+0 2.97313E+4 0E+0 0E+0
-Vm 274.4
CSH0.8
Ca0.8SiO2.8:1.54H2O = 0.800Ca+2 - 1.600H+ + 1.000H4(SiO4) + 0.340H2O
log_k 11.050 #10BLA/BOU1
delta_h -47.646 #kJ/mol
# Enthalpy of formation: -1945.13 #kJ/mol #10BLA/BOU1
-analytic 2.70279E+0 0E+0 2.48872E+3 0E+0 0E+0
-Vm 59.29
CSH1.2
Ca1.2SiO3.2:2.06H2O = 1.200Ca+2 - 2.400H+ + 1.000H4(SiO4) + 1.260H2O
log_k 19.300 #10BLA/BOU1
delta_h -88.600 #kJ/mol
# Enthalpy of formation: -2384.34 #kJ/mol #10BLA/BOU1
-analytic 3.77797E+0 0E+0 4.62789E+3 0E+0 0E+0
-Vm 71.95
CSH1.6
Ca1.6SiO3.6:2.58H2O = 1.600Ca+2 - 3.200H+ + 1.000H4(SiO4) + 2.180H2O
log_k 28.000 #10BLA/BOU1
delta_h -133.313 #kJ/mol
# Enthalpy of formation: -2819.79 #kJ/mol #10BLA/BOU1
-analytic 4.6446E+0 0E+0 6.96341E+3 0E+0 0E+0
-Vm 84.68
Ca(Adipate)(s)
Ca(Adipate) = 1.000Ca+2 + 1.000Adipate-2
log_k -3.300 #12GRI/GAR2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.3E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ca(HGlu)2(s)
Ca(HGlu)2 = 1.000Ca+2 + 2.000HGlu-
log_k -4.190 #99VAN/GLA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.19E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ca(HIsa)2(cr)
Ca(HIsa)2 = 1.000Ca+2 + 2.000HIsa-
log_k -6.400 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.4E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ca(HPO4)(s)
Ca(HPO4) = 1.000Ca+2 - 1.000H+ + 1.000H2(PO4)-
log_k 0.300 #84NAN
delta_h -24.098 #kJ/mol
# Enthalpy of formation: -1821.502 #kJ/mol
-analytic -3.92178E+0 0E+0 1.25872E+3 0E+0 0E+0
# -Vm 0
Ca(NO3)2(s)
Ca(NO3)2 = 1.000Ca+2 + 2.000NO3-
log_k 5.890 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.89E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ca(Ox):2H2O(s)
Ca(Ox):2H2O = 1.000Ca+2 + 1.000Ox-2 + 2.000H2O
log_k -8.300 #05HUM/AND
delta_h 25.200 #kJ/mol #05HUM/AND
# Enthalpy of formation: -1970.52 #kJ/mol
-analytic -3.88516E+0 0E+0 -1.31629E+3 0E+0 0E+0
# -Vm 0
Ca(Ox):3H2O(s)
Ca(Ox):3H2O = 1.000Ca+2 + 1.000Ox-2 + 3.000H2O
log_k -8.190 #05HUM/AND
delta_h 29.700 #kJ/mol #05HUM/AND
# Enthalpy of formation: -2260.85 #kJ/mol
-analytic -2.98679E+0 0E+0 -1.55134E+3 0E+0 0E+0
# -Vm 0
Ca(Ox):H2O(s)
Ca(Ox):H2O = 1.000Ca+2 + 1.000Ox-2 + 1.000H2O
log_k -8.730 #05HUM/AND
delta_h 21.500 #kJ/mol #05HUM/AND
# Enthalpy of formation: -1680.99 #kJ/mol
-analytic -4.96337E+0 0E+0 -1.12302E+3 0E+0 0E+0
# -Vm 0
Ca(SO3)(s)
Ca(SO3) = 1.000Ca+2 + 1.000SO3-2
log_k -6.500 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.5E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ca(SeO3):H2O(s)
Ca(SeO3):H2O = 1.000Ca+2 + 1.000SeO3-2 + 1.000H2O
log_k -6.400 #05OLI/NOL
delta_h -11.190 #kJ/mol
# Enthalpy of formation: -1324.8 #kJ/mol #05OLI/NOL
-analytic -8.3604E+0 0E+0 5.84494E+2 0E+0 0E+0
# -Vm 0
Ca(SeO4):2H2O(s)
Ca(SeO4):2H2O = 1.000Ca+2 + 1.000SeO4-2 + 2.000H2O
log_k -2.680 #05OLI/NOL
delta_h -9.160 #kJ/mol
# Enthalpy of formation: -1709 #kJ/mol #05OLI/NOL
-analytic -4.28476E+0 0E+0 4.78459E+2 0E+0 0E+0
# -Vm 0
Ca(cr)
Ca = 1.000Ca+2 + 2.000e-
log_k 96.850
delta_h -543.000 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic 1.72062E+0 0E+0 2.83628E+4 0E+0 0E+0
# -Vm 0
Ca2(Pyrophos)(s)
Ca2(Pyrophos) = 2.000Ca+2 + 1.000Pyrophos-4
log_k -15.500 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.55E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ca2Cl2(OH)2:H2O(s)
Ca2Cl2(OH)2:H2O = 2.000Ca+2 - 2.000H+ + 2.000Cl- + 3.000H2O
log_k 26.530 #84HAR/MOL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.653E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ca2Fe2O5(s)
Ca2Fe2O5 = 2.000Ca+2 + 2.000Fe+3 - 10.000H+ + 5.000H2O
log_k 56.760
delta_h -474.850 #kJ/mol
# Enthalpy of formation: -2138.3 #kJ/mol #95ROB/HEM
-analytic -2.643E+1 0E+0 2.48031E+4 0E+0 0E+0
# -Vm 0
Ca2ZrSi3O12(cr)
Ca2ZrSi3O12 = 2.000Ca+2 - 12.000H+ - 4.000e- + 3.000H4(SiO4) + 1.000Zr+4
log_k -68.270
delta_h 204.918 #kJ/mol
# Enthalpy of formation: -6283 #kJ/mol #05BRO/CUR
-analytic -3.237E+1 0E+0 -1.07036E+4 0E+0 0E+0
# -Vm 0
Ca3(AsO4)2:xH2O
Ca3(AsO4)2 = 3.000Ca+2 + 2.000AsO4-3
log_k -21.000 #11GRI/COL4
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ca3(Cit)2:4H2O(s)
Ca3(Cit)2:4H2O = 3.000Ca+2 + 2.000Cit-3 + 4.000H2O
log_k -17.900 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.79E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ca3(PO4)2(alfa)
Ca3(PO4)2 = 3.000Ca+2 - 4.000H+ + 2.000H2(PO4)-
log_k 10.220 #84NAN
delta_h -125.300 #kJ/mol
# Enthalpy of formation: -4108.898 #kJ/mol
-analytic -1.17316E+1 0E+0 6.54487E+3 0E+0 0E+0
# -Vm 0
Ca3B2O6(s)
Ca3B2O6 = 3.000Ca+2 - 4.000H+ + 2.000B(OH)4- - 2.000H2O
log_k 40.580
delta_h -318.306 #kJ/mol
# Enthalpy of formation: -3429.266 #kJ/mol
-analytic -1.51847E+1 0E+0 1.66263E+4 0E+0 0E+0
# -Vm 0
Ca3ZrSi2O9(cr)
Ca3ZrSi2O9 = 3.000Ca+2 - 10.000H+ + 2.000H4(SiO4) + 1.000Zr+4 + 1.000H2O
log_k 47.870
delta_h -416.718 #kJ/mol
# Enthalpy of formation: -5029 #kJ/mol #05BRO/CUR
-analytic -2.51358E+1 0E+0 2.17667E+4 0E+0 0E+0
# -Vm 0
Ca4Al2O6(CrO4):15H2O(s)
Ca4Al2O6(CrO4):15H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000CrO4-2 + 21.000H2O
log_k 71.360 #01PER/PAL
delta_h -545.980 #kJ/mol #01PER/PAL
# Enthalpy of formation: -9584.25 #kJ/mol
-analytic -2.42914E+1 0E+0 2.85185E+4 0E+0 0E+0
# -Vm 0
Ca4Cl2(OH)6:13H2O(s)
Ca4Cl2(OH)6:13H2O = 4.000Ca+2 - 6.000H+ + 2.000Cl- + 19.000H2O
log_k 68.730 #84HAR/MOL
delta_h -271.930 #kJ/mol
# Enthalpy of formation: -7665 #kJ/mol #82WAG/EVA
-analytic 2.109E+1 0E+0 1.42039E+4 0E+0 0E+0
# -Vm 0
Ca4H(PO4)3:2.5H2O(s)
Ca4H(PO4)3:2.5H2O = 4.000Ca+2 - 5.000H+ + 3.000H2(PO4)- + 2.500H2O
log_k 11.810 #84NAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.181E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ca6(Al(OH)6)2(CrO4)3:26H2O(s)
Ca6(Al(OH)6)2(CrO4)3:26H2O = 6.000Ca+2 + 2.000Al+3 - 12.000H+ + 3.000CrO4-2 + 38.000H2O
log_k 60.280 #00PER/PAL
delta_h -509.590 #kJ/mol #00PER/PAL
# Enthalpy of formation: -17323.75 #kJ/mol
-analytic -2.89962E+1 0E+0 2.66177E+4 0E+0 0E+0
# -Vm 0
CaB2O4(s)
CaB2O4 = 1.000Ca+2 + 2.000B(OH)4- - 4.000H2O
log_k -2.180
delta_h -58.894 #kJ/mol
# Enthalpy of formation: -2031.019 #kJ/mol
-analytic -1.24978E+1 0E+0 3.07624E+3 0E+0 0E+0
# -Vm 0
CaB4O7(s)
CaB4O7 = 1.000Ca+2 + 2.000H+ + 4.000B(OH)4- - 9.000H2O
log_k -23.440
delta_h 9.371 #kJ/mol
# Enthalpy of formation: -3360.367 #kJ/mol
-analytic -2.17983E+1 0E+0 -4.89481E+2 0E+0 0E+0
# -Vm 0
CaCO3:H2O(s)
CaCO3:H2O = 1.000Ca+2 + 1.000CO3-2 + 1.000H2O
log_k -7.600 #73HUL/TUR
delta_h -5.770 #kJ/mol
# Enthalpy of formation: -1498.29 #kJ/mol #73HUL/TUR
-analytic -8.61086E+0 0E+0 3.01388E+2 0E+0 0E+0
# -Vm 0
CaCl2:2H2O(cr)
CaCl2:2H2O = 1.000Ca+2 + 2.000Cl- + 2.000H2O
log_k 7.950
delta_h -44.790 #kJ/mol
# Enthalpy of formation: -1404.03 #kJ/mol #87GAR/PAR
-analytic 1.0314E-1 0E+0 2.33954E+3 0E+0 0E+0
# -Vm 0
CaCl2:4H2O(cr)
CaCl2:4H2O = 1.000Ca+2 + 2.000Cl- + 4.000H2O
log_k 5.350
delta_h -11.310 #kJ/mol
# Enthalpy of formation: -2009.17 #kJ/mol #87GAR/PAR
-analytic 3.36858E+0 0E+0 5.90762E+2 0E+0 0E+0
# -Vm 0
CaCl2:H2O(s)
CaCl2:H2O = 1.000Ca+2 + 2.000Cl- + 1.000H2O
log_k 7.850
delta_h -52.160 #kJ/mol
# Enthalpy of formation: -1110.83 #kJ/mol #87GAR/PAR
-analytic -1.28803E+0 0E+0 2.7245E+3 0E+0 0E+0
# -Vm 0
CaCrO4(s)
CaCrO4 = 1.000Ca+2 + 1.000CrO4-2
log_k -3.150 #03DEA
delta_h -22.807 #kJ/mol
# Enthalpy of formation: -1399.193 #kJ/mol
-analytic -7.14561E+0 0E+0 1.19129E+3 0E+0 0E+0
# -Vm 0
CaF2:6H2O(s)
CaF2:6H2O = 1.000Ca+2 + 2.000F- + 6.000H2O
log_k -5.480 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.48E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
CaFe2O4(s)
CaFe2O4 = 1.000Ca+2 + 2.000Fe+3 - 8.000H+ + 4.000H2O
log_k 21.240 #79ROB
delta_h -263.980 #kJ/mol #79ROB
# Enthalpy of formation: -1520.34 #kJ/mol
-analytic -2.50072E+1 0E+0 1.37886E+4 0E+0 0E+0
# -Vm 0
CaI2(s)
CaI2 = 1.000Ca+2 + 2.000I-
log_k 22.500 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.25E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
CaMg3(CO3)4(s)
CaMg3(CO3)4 = 1.000Ca+2 + 3.000Mg+2 + 4.000CO3-2
log_k -30.810
delta_h -112.340 #kJ/mol
# Enthalpy of formation: -4532.58 #kJ/mol #73HEM/ROB
-analytic -5.04911E+1 0E+0 5.86792E+3 0E+0 0E+0
# -Vm 0
CaMoO4(s)
CaMoO4 = 1.000Ca+2 + 1.000MoO4-2
log_k -7.900
delta_h 1.427 #kJ/mol
# Enthalpy of formation: -1541.427 #kJ/mol
-analytic -7.65E+0 0E+0 -7.45373E+1 0E+0 0E+0
# -Vm 0
CaO(cr)
CaO = 1.000Ca+2 - 2.000H+ + 1.000H2O
log_k 32.700
delta_h -193.910 #kJ/mol
# Enthalpy of formation: -634.92 #kJ/mol #89COX/WAG
-analytic -1.27152E+0 0E+0 1.01286E+4 0E+0 0E+0
# -Vm 0
CaSn(OH)6(s)
CaSn(OH)6 = 1.000Ca+2 + 1.000Sn+4 - 6.000H+ + 6.000H2O
log_k -0.740 #Log Kº estimated as the mean value of data in 00LOT/OCH2 (uncertainty to include both values) recalculated using values of Sn(OH)6-2 selected in this work
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -7.4E-1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
CaU2O7:3H2O(cr)
CaU2O7:3H2O = 1.000Ca+2 + 2.000UO2+2 - 6.000H+ + 6.000H2O
log_k 23.400 #05ALT/NEC
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.34E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Cadmoselite
CdSe = 1.000Cd+2 - 1.000H+ + 1.000HSe-
log_k -18.680
delta_h 81.480 #kJ/mol
# Enthalpy of formation: -143.1 #kJ/mol #05OLI/NOL
-analytic -4.40534E+0 0E+0 -4.25599E+3 0E+0 0E+0
# -Vm 0
Calcite
CaCO3 = 1.000Ca+2 + 1.000CO3-2
log_k -8.480 #82PLUM/BUS
delta_h -10.620 #kJ/mol #82PLUM/BUS
# Enthalpy of formation: -1207.61 #kJ/mol
-analytic -1.03405E+1 0E+0 5.5472E+2 0E+0 0E+0
-Vm 36.93
Carnallite
KMgCl3:6H2O = 1.000Mg+2 + 1.000K+ + 3.000Cl- + 6.000H2O
log_k 4.330 #84HAR/MOL
delta_h 9.339 #kJ/mol
# Enthalpy of formation: -2944.699 #kJ/mol #74NAU/RYZ
-analytic 5.96612E+0 0E+0 -4.87809E+2 0E+0 0E+0
# -Vm 0
Cassiterite
SnO2 = 1.000Sn+4 - 4.000H+ + 2.000H2O
log_k -15.600
delta_h -25.541 #kJ/mol
# Enthalpy of formation: -577.63 #kJ/mol #12GAM/GAJ
-analytic -2.00746E+1 0E+0 1.3341E+3 0E+0 0E+0
# -Vm 0
Cattierite
CoS2 = 1.000Co+2 - 2.000H+ - 2.000e- + 2.000HS-
log_k -19.980
delta_h 60.700 #kJ/mol
# Enthalpy of formation: -150.9 #kJ/mol #95ROB/HEM
-analytic -9.34583E+0 0E+0 -3.17058E+3 0E+0 0E+0
# -Vm 0
Cd(CO3)(s)
Cd(CO3) = 1.000Cd+2 + 1.000CO3-2
log_k -12.100 #91RAI/FEL1
delta_h 1.482 #kJ/mol
# Enthalpy of formation: -752.633 #kJ/mol
-analytic -1.18404E+1 0E+0 -7.74101E+1 0E+0 0E+0
# -Vm 0
Cd(OH)2(s)
Cd(OH)2 = 1.000Cd+2 - 2.000H+ + 2.000H2O
log_k 13.860 #91RAI/FEL1
delta_h -87.730 #kJ/mol
# Enthalpy of formation: -559.85 #kJ/mol
-analytic -1.50961E+0 0E+0 4.58245E+3 0E+0 0E+0
# -Vm 0
Cd(SO4)(cr)
Cd(SO4) = 1.000Cd+2 + 1.000SO4-2
log_k -0.160
delta_h -51.980 #kJ/mol
# Enthalpy of formation: -933.28 #kJ/mol #82WAG/EVA
-analytic -9.26649E+0 0E+0 2.7151E+3 0E+0 0E+0
# -Vm 0
Cd(SO4):2.67H2O(cr)
Cd(SO4):2.67H2O = 1.000Cd+2 + 1.000SO4-2 + 2.670H2O
log_k -1.550
delta_h -20.126 #kJ/mol
# Enthalpy of formation: -1728.3 #kJ/mol #89COX/WAG
-analytic -5.07592E+0 0E+0 1.05125E+3 0E+0 0E+0
# -Vm 0
Cd(SeCn)2(cr)
Cd(SeCn)2 = 1.000Cd+2 - 2.000H+ - 4.000e- + 2.000Cn- + 2.000HSe-
log_k -31.750
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.175E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Cd(cr)
Cd = 1.000Cd+2 + 2.000e-
log_k 13.620
delta_h -75.920 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic 3.19406E-1 0E+0 3.96557E+3 0E+0 0E+0
# -Vm 0
Cd3(AsO4)2(s)
Cd3(AsO4)2 = 3.000Cd+2 + 2.000AsO4-3
log_k -32.620
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.262E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Cd3(PO4)2(s)
Cd3(PO4)2 = 3.000Cd+2 - 4.000H+ + 2.000H2(PO4)-
log_k 8.970
delta_h -206.960 #kJ/mol
# Enthalpy of formation: -2626 #kJ/mol #01BEN/JEM
-analytic -2.72878E+1 0E+0 1.08103E+4 0E+0 0E+0
# -Vm 0
Cd5(PO4)3Cl(cr)
Cd5(PO4)3Cl = 5.000Cd+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)-
log_k 12.670
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.267E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Cd5(PO4)3OH(cr)
Cd5(PO4)3OH = 5.000Cd+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O
log_k 19.840
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.984E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
CdB2O4(s)
CdB2O4 = 1.000Cd+2 + 2.000B(OH)4- - 4.000H2O
log_k -8.640 #91BAL/NOR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -8.64E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
CdCl2(s)
CdCl2 = 1.000Cd+2 + 2.000Cl-
log_k -0.660
delta_h -18.580 #kJ/mol
# Enthalpy of formation: -391.5 #kJ/mol #74NAU/RYZ
-analytic -3.91507E+0 0E+0 9.705E+2 0E+0 0E+0
# -Vm 0
CdCl2:2.5H2O(s)
CdCl2:2.5H2O = 1.000Cd+2 + 2.000Cl- + 2.500H2O
log_k -1.900
delta_h 7.285 #kJ/mol
# Enthalpy of formation: -1131.94 #kJ/mol #82WAG/EVA
-analytic -6.23725E-1 0E+0 -3.80521E+2 0E+0 0E+0
# -Vm 0
CdCl2:H2O(cr)
CdCl2:H2O = 1.000Cd+2 + 2.000Cl- + 1.000H2O
log_k -1.690
delta_h -7.470 #kJ/mol
# Enthalpy of formation: -688.44 #kJ/mol #82WAG/EVA
-analytic -2.99869E+0 0E+0 3.90185E+2 0E+0 0E+0
# -Vm 0
CdO(s)
CdO = 1.000Cd+2 - 2.000H+ + 1.000H2O
log_k 15.100
delta_h -103.400 #kJ/mol
# Enthalpy of formation: -258.35 #kJ/mol #89COX/WAG
-analytic -3.01488E+0 0E+0 5.40095E+3 0E+0 0E+0
# -Vm 0
CdS(s)
CdS = 1.000Cd+2 - 1.000H+ + 1.000HS-
log_k -14.820 #99WAN/TES
delta_h 56.570 #kJ/mol
# Enthalpy of formation: -148.79 #kJ/mol #06DEO/NAV
-analytic -4.90938E+0 0E+0 -2.95485E+3 0E+0 0E+0
# -Vm 0
CdSiO3(cr)
CdSiO3 = 1.000Cd+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O
log_k 7.790
delta_h -62.194 #kJ/mol
# Enthalpy of formation: -1189.09 #kJ/mol #77BAR/KNA
-analytic -3.10591E+0 0E+0 3.24861E+3 0E+0 0E+0
# -Vm 0
Celadonite-Fe
KFeAlSi4O10(OH)2 = 1.000K+ + 1.000Fe+2 + 1.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
log_k 6.430
delta_h -103.866 #kJ/mol
# Enthalpy of formation: -5478.13 #kJ/mol #02PAR/VID
-analytic -1.17665E+1 0E+0 5.42529E+3 0E+0 0E+0
-Vm 143.01
Celadonite-Mg
KMgAlSi4O10(OH)2 = 1.000Mg+2 + 1.000K+ + 1.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
log_k 10.200
delta_h -124.256 #kJ/mol
# Enthalpy of formation: -5834.74 #kJ/mol #02PAR/VID
-analytic -1.15687E+1 0E+0 6.49033E+3 0E+0 0E+0
-Vm 139.62
Celestite
Sr(SO4) = 1.000Sr+2 + 1.000SO4-2
log_k -6.620 #06BLA/IGN
delta_h -2.451 #kJ/mol
# Enthalpy of formation: -1457.789 #kJ/mol
-analytic -7.0494E+0 0E+0 1.28024E+2 0E+0 0E+0
-Vm 46.25
Cerussite
Pb(CO3) = 1.000Pb+2 + 1.000CO3-2
log_k -13.290
delta_h 27.425 #kJ/mol
# Enthalpy of formation: -701.735 #kJ/mol
-analytic -8.48535E+0 0E+0 -1.43251E+3 0E+0 0E+0
# -Vm 0
Chabazite
CaAl2Si4O12:6H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) + 2.000H2O
log_k 11.520
delta_h -209.796 #kJ/mol
# Enthalpy of formation: -7826.44 #kJ/mol #09BLA
-analytic -2.52346E+1 0E+0 1.09584E+4 0E+0 0E+0
-Vm 251.16
Chamosite
Fe5Al2Si3O10(OH)8 = 5.000Fe+2 + 2.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O
log_k 47.580
delta_h -504.512 #kJ/mol
# Enthalpy of formation: -7120.85 #kJ/mol #05VID/PAR
-analytic -4.08066E+1 0E+0 2.63525E+4 0E+0 0E+0
-Vm 215.88
Chloroapatite
Ca5Cl(PO4)3 = 5.000Ca+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)-
log_k 5.210 #68VAL/KOG
delta_h -132.541 #kJ/mol
# Enthalpy of formation: -6657.337 #kJ/mol
-analytic -1.80102E+1 0E+0 6.92309E+3 0E+0 0E+0
# -Vm 0
Chromite
FeCr2O4 = 1.000Fe+2 - 8.000H+ + 2.000Cr+3 + 4.000H2O
log_k 15.120
delta_h -268.820 #kJ/mol
# Enthalpy of formation: -1445.5 #kJ/mol #95ROB/HEM
-analytic -3.19752E+1 0E+0 1.40414E+4 0E+0 0E+0
# -Vm 0
Clarkeite
Na(UO2)O(OH) = 1.000Na+ + 1.000UO2+2 - 3.000H+ + 2.000H2O
log_k 9.400 #08GOR/FEI
delta_h -106.300 #kJ/mol
# Enthalpy of formation: -1724.7 #kJ/mol #06KUB/HEL
-analytic -9.22293E+0 0E+0 5.55243E+3 0E+0 0E+0
# -Vm 0
Claudetite
As2O3 = - 3.000H2O + 2.000H3(AsO3)
log_k -1.460
delta_h 28.238 #kJ/mol
# Enthalpy of formation: -655.15 #kJ/mol
-analytic 3.48708E+0 0E+0 -1.47497E+3 0E+0 0E+0
# -Vm 0
Clausthalite
PbSe = 1.000Pb+2 - 1.000H+ + 1.000HSe-
log_k -20.530
delta_h 113.720 #kJ/mol
# Enthalpy of formation: -98.5 #kJ/mol #05OLI/NOL
-analytic -6.0714E-1 0E+0 -5.94E+3 0E+0 0E+0
# -Vm 0
Clinochlore
Mg5Al2Si3O10(OH)8 = 5.000Mg+2 + 2.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O
log_k 61.680
delta_h -600.772 #kJ/mol
# Enthalpy of formation: -8909.59 #kJ/mol #05VID/PAR
-analytic -4.35706E+1 0E+0 3.13805E+4 0E+0 0E+0
-Vm 211.47
Clinoptilolite_Ca
Ca0.55(Si4.9Al1.1)O12:3.9H2O = 0.550Ca+2 + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 3.700H2O
log_k -2.350 #09BLA
delta_h -68.491 #kJ/mol
# Enthalpy of formation: -6924.681 #kJ/mol
-analytic -1.43491E+1 0E+0 3.57753E+3 0E+0 0E+0
-Vm 209.66
Clinoptilolite_K
K1.1(Si4.9Al1.1)O12:2.7H2O = 1.100K+ + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 4.900H2O
log_k -1.230 #09BLA
delta_h -60.121 #kJ/mol
# Enthalpy of formation: -6568.76 #kJ/mol
-analytic -1.17627E+1 0E+0 3.14033E+3 0E+0 0E+0
-Vm 210.73
Clinoptilolite_Na
Na1.1(Si4.9Al1.1)O12:3.5H2O = 1.100Na+ + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 4.100H2O
log_k -0.090 #09BLA
delta_h -62.460 #kJ/mol
# Enthalpy of formation: -6782.105 #kJ/mol
-analytic -1.10325E+1 0E+0 3.26251E+3 0E+0 0E+0
-Vm 214.78
Cm(CO3)(OH)(cr)
Cm(CO3)(OH) = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.000H2O
log_k -10.340 #estimated by correlation with Ln(III) and An(III)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.034E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Cm(CO3)(OH):0.5H2O(s)
Cm(CO3)(OH):0.5H2O = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.500H2O
log_k -7.780 #estimated by correlation with Ln(III) and An(III)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -7.78E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Cm(OH)3(am)
Cm(OH)3 = - 3.000H+ + 1.000Cm+3 + 3.000H2O
log_k 17.900 #estimated from ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.79E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Cm(OH)3(cr)
Cm(OH)3 = - 3.000H+ + 1.000Cm+3 + 3.000H2O
log_k 15.600 #estimated from ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.56E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Cm(PO4):xH2O(s)
Cm(PO4) = - 2.000H+ + 1.000H2(PO4)- + 1.000Cm+3
log_k -4.970 #estimated by correlation with Ln(III)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.97E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Cm(cr)
Cm = 3.000e- + 1.000Cm+3
log_k 104.310
delta_h -615.000 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #01KON2
-analytic -3.43322E+0 0E+0 3.21236E+4 0E+0 0E+0
# -Vm 0
Cm2(CO3)3(am)
Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3
log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Cm2O3(cr)
Cm2O3 = - 6.000H+ + 2.000Cm+3 + 3.000H2O
log_k 52.970
delta_h -403.490 #kJ/mol
# Enthalpy of formation: -1684 #kJ/mol #01KON2
-analytic -1.77183E+1 0E+0 2.10757E+4 0E+0 0E+0
# -Vm 0
CmCl3(cr)
CmCl3 = 3.000Cl- + 1.000Cm+3
log_k 15.070
delta_h -141.840 #kJ/mol
# Enthalpy of formation: -974.4 #kJ/mol #85BAR/PAR
-analytic -9.77926E+0 0E+0 7.40881E+3 0E+0 0E+0
# -Vm 0
CmF3(cr)
CmF3 = 3.000F- + 1.000Cm+3
log_k -13.160
delta_h -32.036 #kJ/mol
# Enthalpy of formation: -1589.014 #kJ/mol #estimated by 97SVE/SHO equation
-analytic -1.87725E+1 0E+0 1.67335E+3 0E+0 0E+0
# -Vm 0
CmOCl(cr)
CmOCl = - 2.000H+ + 1.000Cl- + 1.000Cm+3 + 1.000H2O
log_k 9.490
delta_h -104.710 #kJ/mol
# Enthalpy of formation: -963.2 #kJ/mol #85BAR/PAR
-analytic -8.85438E+0 0E+0 5.46938E+3 0E+0 0E+0
# -Vm 0
CmOHCO3(am)
CmOHCO3 = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.000H2O
log_k -6.120 #estimated in anlogy with Ln(III) and Am(III)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.12E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Co(FeO2)2(alpha)
Co(FeO2)2 = 2.000Fe+3 + 1.000Co+2 - 8.000H+ + 4.000H2O
log_k 0.770
delta_h -159.200 #kJ/mol
# Enthalpy of formation: -1139.72 #kJ/mol #74NAU/RYZ
-analytic -2.71206E+1 0E+0 8.31558E+3 0E+0 0E+0
# -Vm 0
Co(OH)2(s,blue)
Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O
log_k 13.800 #98PLY/ZHA1
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Co(OH)2(s,rose1)
Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O
log_k 12.200 #98PLY/ZHA1
delta_h -88.460 #kJ/mol
# Enthalpy of formation: -540.8 #kJ/mol #98PLY/ZHA1
-analytic -3.2975E+0 0E+0 4.62058E+3 0E+0 0E+0
# -Vm 0
Co(OH)2(s,rose2)
Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O
log_k 13.200 #98PLY/ZHA1
delta_h -93.560 #kJ/mol
# Enthalpy of formation: -535.7 #kJ/mol #98PLY/ZHA1
-analytic -3.19098E+0 0E+0 4.88697E+3 0E+0 0E+0
# -Vm 0
Co(SeO3):2H2O(s)
Co(SeO3):2H2O = 1.000Co+2 + 1.000SeO3-2 + 2.000H2O
log_k -7.900 #05OLI/NOL
delta_h -20.860 #kJ/mol
# Enthalpy of formation: -1115.56 #kJ/mol #05OLI/NOL
-analytic -1.15545E+1 0E+0 1.08959E+3 0E+0 0E+0
# -Vm 0
Co(SeO4):6H2O(s)
Co(SeO4):6H2O = 1.000Co+2 + 1.000SeO4-2 + 6.000H2O
log_k -1.760 #05OLI/NOL
delta_h -3.400 #kJ/mol
# Enthalpy of formation: -2372.678 #kJ/mol
-analytic -2.35565E+0 0E+0 1.77594E+2 0E+0 0E+0
# -Vm 0
Co(cr)
Co = 1.000Co+2 + 2.000e-
log_k 9.740
delta_h -57.600 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #87FER
-analytic -3.51072E-1 0E+0 3.00865E+3 0E+0 0E+0
# -Vm 0
Co0.84Se(cr)
Co0.84Se = 0.840Co+2 - 1.000H+ - 0.320e- + 1.000HSe-
log_k -9.300
delta_h 21.316 #kJ/mol
# Enthalpy of formation: -55.4 #kJ/mol #05OLI/NOL
-analytic -5.5656E+0 0E+0 -1.11341E+3 0E+0 0E+0
# -Vm 0
Co2SiO4(s)
Co2SiO4 = 2.000Co+2 - 4.000H+ + 1.000H4(SiO4)
log_k 7.350
delta_h -99.394 #kJ/mol
# Enthalpy of formation: -1477 #kJ/mol #82WAG/EVA
-analytic -1.00631E+1 0E+0 5.1917E+3 0E+0 0E+0
# -Vm 0
Co3(AsO4)2(s)
Co3(AsO4)2 = 3.000Co+2 + 2.000AsO4-3
log_k -27.560
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.756E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Co3(PO4)2(s)
Co3(PO4)2 = 3.000Co+2 - 4.000H+ + 2.000H2(PO4)-
log_k 4.360 #84VIE/TAR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.36E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Co3O4(s)
Co3O4 = 3.000Co+2 - 8.000H+ - 2.000e- + 4.000H2O
log_k 54.860
delta_h -397.320 #kJ/mol
# Enthalpy of formation: -918.8 #kJ/mol #95ROB/HEM
-analytic -1.47474E+1 0E+0 2.07534E+4 0E+0 0E+0
# -Vm 0
CoCl2(s)
CoCl2 = 1.000Co+2 + 2.000Cl-
log_k 8.470
delta_h -79.220 #kJ/mol
# Enthalpy of formation: -312.54 #kJ/mol #98CHA
-analytic -5.40873E+0 0E+0 4.13794E+3 0E+0 0E+0
# -Vm 0
CoCl2:6H2O(s)
CoCl2:6H2O = 1.000Co+2 + 2.000Cl- + 6.000H2O
log_k 2.540 #97MAR/SMI
delta_h 8.060 #kJ/mol #97MAR/SMI
# Enthalpy of formation: -2114.8 #kJ/mol
-analytic 3.95205E+0 0E+0 -4.21003E+2 0E+0 0E+0
# -Vm 0
CoF2(s)
CoF2 = 1.000Co+2 + 2.000F-
log_k -1.390
delta_h -56.770 #kJ/mol
# Enthalpy of formation: -671.53 #kJ/mol #98CHA
-analytic -1.13357E+1 0E+0 2.9653E+3 0E+0 0E+0
# -Vm 0
CoHPO4(s)
CoHPO4 = 1.000Co+2 - 1.000H+ + 1.000H2(PO4)-
log_k 0.490 #84VIE/TAR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.9E-1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
CoO(s)
CoO = 1.000Co+2 - 2.000H+ + 1.000H2O
log_k 13.770
delta_h -105.530 #kJ/mol
# Enthalpy of formation: -237.9 #kJ/mol #95ROB/HEM
-analytic -4.71804E+0 0E+0 5.51221E+3 0E+0 0E+0
# -Vm 0
CoS(alpha)
CoS = 1.000Co+2 - 1.000H+ + 1.000HS-
log_k -7.440 #90DYR/KRE
delta_h 11.836 #kJ/mol
# Enthalpy of formation: -85.735 #kJ/mol
-analytic -5.36642E+0 0E+0 -6.18236E+2 0E+0 0E+0
# -Vm 0
CoS(beta)
CoS = 1.000Co+2 - 1.000H+ + 1.000HS-
log_k -11.070 #90DYR/KRE
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.107E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
CoSO4(s)
CoSO4 = 1.000Co+2 + 1.000SO4-2
log_k 3.010
delta_h -78.680 #kJ/mol
# Enthalpy of formation: -888.26 #kJ/mol #98CHA
-analytic -1.07741E+1 0E+0 4.10974E+3 0E+0 0E+0
# -Vm 0
CoSO4:6H2O(s)
CoSO4:6H2O = 1.000Co+2 + 1.000SO4-2 + 6.000H2O
log_k -2.200
delta_h 1.570 #kJ/mol
# Enthalpy of formation: -2683.49 #kJ/mol #74NAU/RYZ
-analytic -1.92495E+0 0E+0 -8.20067E+1 0E+0 0E+0
# -Vm 0
CoSO4:H2O(s)
CoSO4:H2O = 1.000Co+2 + 1.000SO4-2 + 1.000H2O
log_k -1.050
delta_h -52.050 #kJ/mol
# Enthalpy of formation: -1200.72 #kJ/mol #74NAU/RYZ
-analytic -1.01688E+1 0E+0 2.71876E+3 0E+0 0E+0
# -Vm 0
CoSe2(cr)
CoSe2 = 1.000Co+2 - 2.000H+ - 2.000e- + 2.000HSe-
log_k -23.090
delta_h 76.500 #kJ/mol
# Enthalpy of formation: -105.5 #kJ/mol #05OLI/NOL
-analytic -9.68779E+0 0E+0 -3.99587E+3 0E+0 0E+0
# -Vm 0
Coffinite
U(SiO4) = 1.000U+4 - 4.000H+ + 1.000H4(SiO4)
log_k -7.800
delta_h -61.068 #kJ/mol
# Enthalpy of formation: -1991.326 #kJ/mol
-analytic -1.84986E+1 0E+0 3.1898E+3 0E+0 0E+0
# -Vm 0
Coffinite(am)
U(SiO4) = 1.000U+4 - 4.000H+ + 1.000H4(SiO4)
log_k -1.500 #Estimation based on NEA Guidelines
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Compreignacite
K2(UO2)6O4(OH)6:7H2O = 2.000K+ + 6.000UO2+2 - 14.000H+ + 17.000H2O
log_k 35.800 #08GOR/FEI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.58E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Corundum
Al2O3 = 2.000Al+3 - 6.000H+ + 3.000H2O
log_k 18.300
delta_h -258.590 #kJ/mol
# Enthalpy of formation: -1675.7 #kJ/mol #89COX/WAG
-analytic -2.7003E+1 0E+0 1.35071E+4 0E+0 0E+0
# -Vm 0
Cotunnite
PbCl2 = 1.000Pb+2 + 2.000Cl-
log_k -4.810
delta_h 26.160 #kJ/mol
# Enthalpy of formation: -359.4 #kJ/mol #98CHA
-analytic -2.26971E-1 0E+0 -1.36643E+3 0E+0 0E+0
# -Vm 0
Cr(OH)2(H2PO4)(s)
Cr(OH)2(H2PO4) = - 2.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 2.000H2O
log_k 0.890 #04RAI/MOO
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.9E-1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Cr(OH)2(cr)
Cr(OH)2 = - 2.000H+ + 1.000Cr+2 + 2.000H2O
log_k 11.000 #41HUM/STO, 04CHI
delta_h -75.459 #kJ/mol
# Enthalpy of formation: -653.814 #kJ/mol
-analytic -2.21983E+0 0E+0 3.94149E+3 0E+0 0E+0
# -Vm 0
Cr(OH)3(cr)
Cr(OH)3 = - 3.000H+ + 1.000Cr+3 + 3.000H2O
log_k 7.500 #04RAI/MOO
delta_h -104.751 #kJ/mol
# Enthalpy of formation: -993.239 #kJ/mol
-analytic -1.08516E+1 0E+0 5.47152E+3 0E+0 0E+0
# -Vm 0
Cr(cr)
Cr = 8.000H+ + 6.000e- + 1.000CrO4-2 - 4.000H2O
log_k -39.310
delta_h 264.320 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #98CHA, 04CHI
-analytic 6.99681E+0 0E+0 -1.38064E+4 0E+0 0E+0
# -Vm 0
Cr2(SO4)3(s)
Cr2(SO4)3 = 3.000SO4-2 + 2.000Cr+3
log_k 4.380
delta_h -277.720 #kJ/mol
# Enthalpy of formation: -2931.3 #kJ/mol #91KNA/KUB
-analytic -4.42744E+1 0E+0 1.45063E+4 0E+0 0E+0
# -Vm 0
Cr2O3(cr)
Cr2O3 = - 6.000H+ + 2.000Cr+3 + 3.000H2O
log_k 7.750
delta_h -197.990 #kJ/mol
# Enthalpy of formation: -1140.5 #kJ/mol #04CHI
-analytic -2.69363E+1 0E+0 1.03417E+4 0E+0 0E+0
# -Vm 0
Cr2S3(s)
Cr2S3 = - 3.000H+ + 3.000HS- + 2.000Cr+3
log_k 3.260
delta_h -195.200 #kJ/mol
# Enthalpy of formation: -334.7 #kJ/mol #84PAN
-analytic -3.09375E+1 0E+0 1.0196E+4 0E+0 0E+0
# -Vm 0
CrCl2(cr)
CrCl2 = 2.000Cl- + 1.000Cr+2
log_k 12.730
delta_h -103.474 #kJ/mol
# Enthalpy of formation: -388.3 #kJ/mol #98BAL/NOR
-analytic -5.39784E+0 0E+0 5.40482E+3 0E+0 0E+0
# -Vm 0
CrCl3(cr)
CrCl3 = 3.000Cl- + 1.000Cr+3
log_k 20.190
delta_h -197.340 #kJ/mol
# Enthalpy of formation: -544.4 #kJ/mol #98BAL/NOR
-analytic -1.43824E+1 0E+0 1.03078E+4 0E+0 0E+0
# -Vm 0
CrO2(cr)
CrO2 = 4.000H+ + 2.000e- + 1.000CrO4-2 - 2.000H2O
log_k -51.680
delta_h 290.560 #kJ/mol
# Enthalpy of formation: -597.9 #kJ/mol #93BAR, 04CHI
-analytic -7.76148E-1 0E+0 -1.5177E+4 0E+0 0E+0
# -Vm 0
CrO3(cr)
CrO3 = 2.000H+ + 1.000CrO4-2 - 1.000H2O
log_k -3.020
delta_h -10.070 #kJ/mol
# Enthalpy of formation: -583.1 #kJ/mol #98BAL/NOR, 04CHI
-analytic -4.78419E+0 0E+0 5.25992E+2 0E+0 0E+0
# -Vm 0
CrPO4(green)
CrPO4 = - 2.000H+ + 1.000H2(PO4)- + 1.000Cr+3
log_k -3.060 #51ZHA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.06E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
CrPO4(purple)
CrPO4 = - 2.000H+ + 1.000H2(PO4)- + 1.000Cr+3
log_k 2.560 #51ZHA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.56E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
CrS(s)
CrS = - 1.000H+ + 1.000HS- + 1.000Cr+2
log_k 1.660
delta_h -38.771 #kJ/mol
# Enthalpy of formation: -135.143 #kJ/mol #84PAN
-analytic -5.13238E+0 0E+0 2.02515E+3 0E+0 0E+0
# -Vm 0
Cristobalite
SiO2 = 1.000H4(SiO4) - 2.000H2O
log_k -3.160
delta_h 16.500 #kJ/mol
# Enthalpy of formation: -906.034 #kJ/mol #04FAB/SAX
-analytic -2.69328E-1 0E+0 -8.61854E+2 0E+0 0E+0
# -Vm 0
Crocoite
PbCrO4 = 1.000Pb+2 + 1.000CrO4-2
log_k -12.550 #42KOL/PER
delta_h 48.940 #kJ/mol
# Enthalpy of formation: -927.02 #kJ/mol #75DEL/MCC
-analytic -3.97609E+0 0E+0 -2.55631E+3 0E+0 0E+0
# -Vm 0
Cronstedtite-Th
Fe4SiO5(OH)4 = 2.000Fe+3 + 2.000Fe+2 - 10.000H+ + 1.000H4(SiO4) + 5.000H2O
log_k 16.120
delta_h -253.794 #kJ/mol
# Enthalpy of formation: -2914.55 #kJ/mol #15BLA/VIE
-analytic -2.83427E+1 0E+0 1.32566E+4 0E+0 0E+0
-Vm 76.8
Cs(cr)
Cs = 1.000Cs+ + 1.000e-
log_k 51.060
delta_h -258.000 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
-analytic 5.86041E+0 0E+0 1.34763E+4 0E+0 0E+0
# -Vm 0
Cs2(CO3)(s)
Cs2(CO3) = 2.000Cs+ + 1.000CO3-2
log_k 9.900
delta_h -53.609 #kJ/mol
# Enthalpy of formation: -1137.62 #kJ/mol
-analytic 5.0812E-1 0E+0 2.80019E+3 0E+0 0E+0
# -Vm 0
Cs2(SO4)(s)
Cs2(SO4) = 2.000Cs+ + 1.000SO4-2
log_k 0.580
delta_h 17.769 #kJ/mol
# Enthalpy of formation: -1443.108 #kJ/mol
-analytic 3.69299E+0 0E+0 -9.28138E+2 0E+0 0E+0
# -Vm 0
Cs2MoO4(s)
Cs2MoO4 = 2.000Cs+ + 1.000MoO4-2
log_k 2.210
delta_h 1.731 #kJ/mol
# Enthalpy of formation: -1514.73 #kJ/mol
-analytic 2.51326E+0 0E+0 -9.04163E+1 0E+0 0E+0
# -Vm 0
Cs2O(s)
Cs2O = 2.000Cs+ - 2.000H+ + 1.000H2O
log_k 89.680
delta_h -456.069 #kJ/mol
# Enthalpy of formation: -345.759 #kJ/mol
-analytic 9.78026E+0 0E+0 2.38221E+4 0E+0 0E+0
# -Vm 0
CsBr(cr)
CsBr = 1.000Cs+ + 1.000Br-
log_k 0.720
delta_h 26.190 #kJ/mol
# Enthalpy of formation: -405.6 #kJ/mol #01LEM/FUG
-analytic 5.30828E+0 0E+0 -1.368E+3 0E+0 0E+0
# -Vm 0
CsCl(cr)
CsCl = 1.000Cs+ + 1.000Cl-
log_k 1.550
delta_h 17.230 #kJ/mol
# Enthalpy of formation: -442.31 #kJ/mol #01LEM/FUG
-analytic 4.56856E+0 0E+0 -8.99984E+2 0E+0 0E+0
# -Vm 0
Cu(SeO3):2H2O(s)
Cu(SeO3):2H2O = 1.000Cu+2 + 1.000SeO3-2 + 2.000H2O
log_k -9.500 #Average value from 56CHU2 and 93SLA/POP in 05OLI/NOL
delta_h -15.320 #kJ/mol
# Enthalpy of formation: -998.6 #kJ/mol #05OLI/NOL
-analytic -1.21839E+1 0E+0 8.00218E+2 0E+0 0E+0
# -Vm 0
Cu(SeO4):5H2O(s)
Cu(SeO4):5H2O = 1.000Cu+2 + 1.000SeO4-2 + 5.000H2O
log_k -2.440 #05OLI/NOL
delta_h 5.580 #kJ/mol
# Enthalpy of formation: -1973.33 #kJ/mol #05OLI/NOL
-analytic -1.46243E+0 0E+0 -2.91463E+2 0E+0 0E+0
# -Vm 0
Cu(cr)
Cu = 1.000Cu+2 + 2.000e-
log_k -11.390
delta_h 64.900 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #01LEM/FUG
-analytic -2.00248E-2 0E+0 -3.38996E+3 0E+0 0E+0
# -Vm 0
Cu2Se(alfa)
Cu2Se = 2.000Cu+ - 1.000H+ + 1.000HSe-
log_k -45.890 #01SEB/POT2
delta_h 216.940 #kJ/mol
# Enthalpy of formation: -59.3 #kJ/mol #05OLI/NOL
-analytic -7.8838E+0 0E+0 -1.13315E+4 0E+0 0E+0
# -Vm 0
Cu3(AsO4)2(s)
Cu3(AsO4)2 = 3.000Cu+2 + 2.000AsO4-3
log_k -34.880
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.488E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
CuSe(alfa)
CuSe = 1.000Cu+2 - 1.000H+ + 1.000HSe-
log_k -25.460
delta_h 118.700 #kJ/mol
# Enthalpy of formation: -39.5 #kJ/mol #05OLI/NOL
-analytic -4.66468E+0 0E+0 -6.20012E+3 0E+0 0E+0
# -Vm 0
CuSe(beta)
CuSe = 1.000Cu+2 - 1.000H+ + 1.000HSe-
log_k -25.130
delta_h 116.000 #kJ/mol
# Enthalpy of formation: -36.8 #kJ/mol #05OLI/NOL
-analytic -4.8077E+0 0E+0 -6.05909E+3 0E+0 0E+0
# -Vm 0
Dawsonite
NaAl(CO3)(OH)2 = 1.000Na+ + 1.000Al+3 - 2.000H+ + 1.000CO3-2 + 2.000H2O
log_k -6.000
delta_h -61.630 #kJ/mol
# Enthalpy of formation: -1964 #kJ/mol #76FER/STU
-analytic -1.67971E+1 0E+0 3.21915E+3 0E+0 0E+0
# -Vm 0
Diaspore
AlO(OH) = 1.000Al+3 - 3.000H+ + 2.000H2O
log_k 6.870
delta_h -108.760 #kJ/mol
# Enthalpy of formation: -1001.3 #kJ/mol #95ROB/HEM
-analytic -1.21839E+1 0E+0 5.68092E+3 0E+0 0E+0
# -Vm 0
Dickite
Al2Si2O5(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O
log_k 9.390
delta_h -185.218 #kJ/mol
# Enthalpy of formation: -4099.8 #kJ/mol #03FIA/MAJ
-analytic -2.30588E+1 0E+0 9.6746E+3 0E+0 0E+0
# -Vm 0
Dolomite
CaMg(CO3)2 = 1.000Ca+2 + 1.000Mg+2 + 2.000CO3-2
log_k -17.130
delta_h -35.960 #kJ/mol
# Enthalpy of formation: -2324.5 #kJ/mol #95ROB/HEM
-analytic -2.34299E+1 0E+0 1.87832E+3 0E+0 0E+0
-Vm 64.37
Downeyite
SeO2 = 2.000H+ + 1.000SeO3-2 - 1.000H2O
log_k -8.150
delta_h 4.060 #kJ/mol
# Enthalpy of formation: -225.39 #kJ/mol #05OLI/NOL
-analytic -7.43872E+0 0E+0 -2.12068E+2 0E+0 0E+0
# -Vm 0
Eastonite
KMg2Al3Si2O10(OH)2 = 2.000Mg+2 + 1.000K+ + 3.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O
log_k 46.300
delta_h -518.108 #kJ/mol
# Enthalpy of formation: -6348.94 #kJ/mol #98HOL/POW
-analytic -4.44685E+1 0E+0 2.70626E+4 0E+0 0E+0
-Vm 147.51
Epsonite
Mg(SO4):7H2O = 1.000Mg+2 + 1.000SO4-2 + 7.000H2O
log_k -1.880 #84HAR/MOL
delta_h 10.990 #kJ/mol
# Enthalpy of formation: -3388.138 #kJ/mol
-analytic 4.53625E-2 0E+0 -5.74047E+2 0E+0 0E+0
# -Vm 0
Ettringite
Ca6Al2(SO4)3(OH)12:26H2O = 6.000Ca+2 + 2.000Al+3 - 12.000H+ + 3.000SO4-2 + 38.000H2O
log_k 56.970 #10BLA/BOU2
delta_h -379.830 #kJ/mol
# Enthalpy of formation: -17544.53 #kJ/mol #10BLA/BOU2
-analytic -9.57326E+0 0E+0 1.98399E+4 0E+0 0E+0
-Vm 710.32
Ettringite-Fe
Ca6Fe2(SO4)3(OH)12:26H2O = 6.000Ca+2 + 2.000Fe+3 - 12.000H+ + 3.000SO4-2 + 38.000H2O
log_k 54.550 #10BLA/BOU2
delta_h -344.345 #kJ/mol
# Enthalpy of formation: -16601.2 #kJ/mol
-analytic -5.77657E+0 0E+0 1.79864E+4 0E+0 0E+0
-Vm 711.8
Eu(CO3)(OH)(cr)
Eu(CO3)(OH) = 1.000Eu+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O
log_k -9.630
delta_h -43.385 #kJ/mol
# Enthalpy of formation: -1523 #kJ/mol #05ROR/FUG
-analytic -1.72307E+1 0E+0 2.26615E+3 0E+0 0E+0
# -Vm 0
Eu(CO3)(OH):0.5H2O(s)
Eu(CO3)(OH):0.5H2O = 1.000Eu+3 - 1.000H+ + 1.000CO3-2 + 1.500H2O
log_k -7.800 #95SPA/BRU
delta_h -55.900 #kJ/mol
# Enthalpy of formation: -1653.4 #kJ/mol #05ROR/FUG
-analytic -1.75932E+1 0E+0 2.91986E+3 0E+0 0E+0
# -Vm 0
Eu(NO3)3:6H2O(s)
Eu(NO3)3:6H2O = 1.000Eu+3 + 3.000NO3- + 6.000H2O
log_k 1.840 #95SPA/BRU
delta_h 16.845 #kJ/mol
# Enthalpy of formation: -2957.7 #kJ/mol #82WAG/EVA
-analytic 4.79111E+0 0E+0 -8.79874E+2 0E+0 0E+0
# -Vm 0
Eu(OH)3(am)
Eu(OH)3 = 1.000Eu+3 - 3.000H+ + 3.000H2O
log_k 17.600 #98DIA/RAG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.76E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Eu(OH)3(cr)
Eu(OH)3 = 1.000Eu+3 - 3.000H+ + 3.000H2O
log_k 15.460 #98DIA/RAG
delta_h -127.543 #kJ/mol
# Enthalpy of formation: -1335.272 #kJ/mol
-analytic -6.88454E+0 0E+0 6.66203E+3 0E+0 0E+0
# -Vm 0
Eu(PO4):xH2O(s)
Eu(PO4) = 1.000Eu+3 - 2.000H+ + 1.000H2(PO4)-
log_k -4.840 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.84E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Eu(cr)
Eu = 1.000Eu+3 + 3.000e-
log_k 100.640
delta_h -605.325 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #82WAG/EVA
-analytic -5.40823E+0 0E+0 3.16183E+4 0E+0 0E+0
# -Vm 0
Eu2(CO3)3:3H2O(s)
Eu2(CO3)3:3H2O = 2.000Eu+3 + 3.000CO3-2 + 3.000H2O
log_k -35.000 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.5E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Eu2(SO4)3:8H2O(s)
Eu2(SO4)3:8H2O = 2.000Eu+3 + 3.000SO4-2 + 8.000H2O
log_k -10.200 #95SPA/BRU
delta_h -90.974 #kJ/mol
# Enthalpy of formation: -6134.332 #kJ/mol
-analytic -2.61379E+1 0E+0 4.7519E+3 0E+0 0E+0
# -Vm 0
Eu2O3(cubic)
Eu2O3 = 2.000Eu+3 - 6.000H+ + 3.000H2O
log_k 52.400 #95SPA/BRU
delta_h -405.440 #kJ/mol
# Enthalpy of formation: -1662.7 #kJ/mol #82WAG/EVA
-analytic -1.86299E+1 0E+0 2.11776E+4 0E+0 0E+0
# -Vm 0
Eu2O3(monoclinic)
Eu2O3 = 2.000Eu+3 - 6.000H+ + 3.000H2O
log_k 53.470
delta_h -418.513 #kJ/mol
# Enthalpy of formation: -1649.626 #kJ/mol
-analytic -1.98502E+1 0E+0 2.18604E+4 0E+0 0E+0
# -Vm 0
Eu3O4(s)
Eu3O4 = 3.000Eu+3 - 8.000H+ + 1.000e- + 4.000H2O
log_k 93.020
delta_h -688.765 #kJ/mol
# Enthalpy of formation: -2270.529 #kJ/mol
-analytic -2.76463E+1 0E+0 3.59766E+4 0E+0 0E+0
# -Vm 0
EuBr3(s)
EuBr3 = 1.000Eu+3 + 3.000Br-
log_k 30.190 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.019E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
EuCl(OH)2(s)
EuCl(OH)2 = 1.000Eu+3 - 2.000H+ + 1.000Cl- + 2.000H2O
log_k 9.130 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.13E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
EuCl2(s)
EuCl2 = 1.000Eu+3 + 1.000e- + 2.000Cl-
log_k 11.220 #95SPA/BRU
delta_h -115.485 #kJ/mol
# Enthalpy of formation: -824 #kJ/mol #82WAG/EVA
-analytic -9.01207E+0 0E+0 6.03219E+3 0E+0 0E+0
# -Vm 0
EuCl3(s)
EuCl3 = 1.000Eu+3 + 3.000Cl-
log_k 19.720 #96FAL/REA
delta_h -170.565 #kJ/mol
# Enthalpy of formation: -936 #kJ/mol #82WAG/EVA
-analytic -1.01617E+1 0E+0 8.90922E+3 0E+0 0E+0
# -Vm 0
EuCl3:6H2O(s)
EuCl3:6H2O = 1.000Eu+3 + 3.000Cl- + 6.000H2O
log_k 5.200 #95SPA/BRU
delta_h -41.414 #kJ/mol
# Enthalpy of formation: -2780.128 #kJ/mol
-analytic -2.05541E+0 0E+0 2.1632E+3 0E+0 0E+0
# -Vm 0
EuF3(s)
EuF3 = 1.000Eu+3 + 3.000F-
log_k -18.500 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.85E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
EuF3:0.5H2O(s)
EuF3:0.5H2O = 1.000Eu+3 + 3.000F- + 0.500H2O
log_k -17.200 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.72E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
EuO(s)
EuO = 1.000Eu+3 - 2.000H+ + 1.000e- + 1.000H2O
log_k 44.770
delta_h -300.012 #kJ/mol
# Enthalpy of formation: -591.143 #kJ/mol
-analytic -7.78977E+0 0E+0 1.56707E+4 0E+0 0E+0
# -Vm 0
EuOCl(s)
EuOCl = 1.000Eu+3 - 2.000H+ + 1.000Cl- + 1.000H2O
log_k 15.810 #95SPA/BRU
delta_h -154.735 #kJ/mol
# Enthalpy of formation: -903.5 #kJ/mol #98BUR/PET
-analytic -1.12984E+1 0E+0 8.08236E+3 0E+0 0E+0
# -Vm 0
EuPO4:H2O(cr)
EuPO4:H2O = 1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O
log_k -6.440 #97LIU/BYR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.44E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
EuSO4(s)
EuSO4 = 1.000Eu+3 + 1.000e- + 1.000SO4-2
log_k -2.520 #95SPA/BRU
delta_h -92.864 #kJ/mol
# Enthalpy of formation: -1421.801 #kJ/mol
-analytic -1.87891E+1 0E+0 4.85062E+3 0E+0 0E+0
# -Vm 0
Fayalite
Fe2(SiO4) = 2.000Fe+2 - 4.000H+ + 1.000H4(SiO4)
log_k 19.510
delta_h -163.054 #kJ/mol
# Enthalpy of formation: -1478.14 #kJ/mol #95ROB/HEM
-analytic -9.05579E+0 0E+0 8.51689E+3 0E+0 0E+0
# -Vm 0
Fe(OH)2(cr)
Fe(OH)2 = 1.000Fe+2 - 2.000H+ + 2.000H2O
log_k 12.760
delta_h -87.642 #kJ/mol
# Enthalpy of formation: -574.017 #kJ/mol
-analytic -2.5942E+0 0E+0 4.57785E+3 0E+0 0E+0
# -Vm 0
Fe(PO4)(cr)
Fe(PO4) = 1.000Fe+3 - 2.000H+ + 1.000H2(PO4)-
log_k -6.240 #CHEMVAL
delta_h -18.600 #kJ/mol
# Enthalpy of formation: -1333 #kJ/mol #03-91 MINTEQL-PSI
-analytic -9.49858E+0 0E+0 9.71544E+2 0E+0 0E+0
# -Vm 0
Fe(cr,alpha)
Fe = 1.000Fe+2 + 2.000e-
log_k 15.860
delta_h -90.000 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #98CHA
-analytic 9.27E-2 0E+0 4.70102E+3 0E+0 0E+0
# -Vm 0
Fe1.04Se(beta)
Fe1.04Se = 1.040Fe+2 - 1.000H+ + 0.080e- + 1.000HSe-
log_k -3.400
delta_h -9.700 #kJ/mol
# Enthalpy of formation: -69.6 #kJ/mol #05OLI/NOL
-analytic -5.09936E+0 0E+0 5.06666E+2 0E+0 0E+0
# -Vm 0
Fe2(SeO3)3:6H2O(s)
Fe2(SeO3)3:6H2O = 2.000Fe+3 + 3.000SeO3-2 + 6.000H2O
log_k -41.580 #05OLI/NOL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.158E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Fe3Se4(gamma)
Fe3Se4 = 3.000Fe+2 - 4.000H+ - 2.000e- + 4.000HSe-
log_k -25.590
delta_h 22.200 #kJ/mol
# Enthalpy of formation: -235 #kJ/mol #05OLI/NOL
-analytic -2.17007E+1 0E+0 -1.15959E+3 0E+0 0E+0
# -Vm 0
Fe5(OH)(PO4)3(s)
Fe5(OH)(PO4)3 = 5.000Fe+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O
log_k -402.320 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.0232E+2 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Fe7Se8(alfa)
Fe7Se8 = 7.000Fe+2 - 8.000H+ - 2.000e- + 8.000HSe-
log_k -35.590
delta_h -52.100 #kJ/mol
# Enthalpy of formation: -463.5 #kJ/mol #05OLI/NOL
-analytic -4.47175E+1 0E+0 2.72137E+3 0E+0 0E+0
# -Vm 0
FeAl2O4(s)
FeAl2O4 = 1.000Fe+2 + 2.000Al+3 - 8.000H+ + 4.000H2O
log_k 27.200 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.72E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
FeMoO4(s)
FeMoO4 = 1.000Fe+2 + 1.000MoO4-2
log_k -8.350
delta_h -11.528 #kJ/mol
# Enthalpy of formation: -1075.472 #kJ/mol
-analytic -1.03696E+1 0E+0 6.02148E+2 0E+0 0E+0
# -Vm 0
FeO(s)
FeO = 1.000Fe+2 - 2.000H+ + 1.000H2O
log_k 13.370 #95ROB/HEM
delta_h -103.815 #kJ/mol
# Enthalpy of formation: -272.015 #kJ/mol
-analytic -4.81758E+0 0E+0 5.42263E+3 0E+0 0E+0
# -Vm 0
FeS(am)
FeS = 1.000Fe+2 - 1.000H+ + 1.000HS-
log_k -2.950 #91DAV
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.95E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ferrihydrite(am)
Fe(OH)3 = 1.000Fe+3 - 3.000H+ + 3.000H2O
log_k 2.540 #63SCH/MIC
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.54E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ferroselite
FeSe2 = 1.000Fe+2 - 2.000H+ - 2.000e- + 2.000HSe-
log_k -17.120
delta_h 47.300 #kJ/mol
# Enthalpy of formation: -108.7 #kJ/mol #05OLI/NOL
-analytic -8.83341E+0 0E+0 -2.47065E+3 0E+0 0E+0
# -Vm 0
Ferrosilite
FeSiO3 = 1.000Fe+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O
log_k 32.710 #95TRO: CEA, N.T.SESD n° 95/49, L. TROTIGNON avril 1996; Critique et sélection de données thermodynamiques en vue de modéliser les équilibres minéral - solution, rapport annuel 1995
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.271E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ferryhydrite
Fe(OH)3 = 1.000Fe+3 - 3.000H+ + 3.000H2O
log_k 1.190 #05GRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.19E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Fluorapatite
Ca5F(PO4)3 = 5.000Ca+2 - 6.000H+ + 1.000F- + 3.000H2(PO4)-
log_k -0.910 #74HAG
delta_h -115.603 #kJ/mol
# Enthalpy of formation: -6842.544 #kJ/mol
-analytic -2.11627E+1 0E+0 6.03836E+3 0E+0 0E+0
# -Vm 0
Fluorite
CaF2 = 1.000Ca+2 + 2.000F-
log_k -10.600 #96FAL/REA
delta_h 19.623 #kJ/mol #90NOR/PLU
# Enthalpy of formation: -1233.323 #kJ/mol
-analytic -7.1622E+0 0E+0 -1.02498E+3 0E+0 0E+0
# -Vm 0
Foshagite
Ca4Si3O9(OH)2:0.5H2O = 4.000Ca+2 - 8.000H+ + 3.000H4(SiO4) - 0.500H2O
log_k 65.960 #10BLA/BOU1
delta_h -380.237 #kJ/mol
# Enthalpy of formation: -6032.43 #kJ/mol #56NEW
-analytic -6.54565E-1 0E+0 1.98611E+4 0E+0 0E+0
-Vm 160.66
Friedel-salt
Ca4Al2(OH)12Cl2:4H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 2.000Cl- + 16.000H2O
log_k 74.930 #10BLA/BOU2
delta_h -486.200 #kJ/mol
# Enthalpy of formation: -7670.04 #kJ/mol #76HOU/STE
-analytic -1.02485E+1 0E+0 2.5396E+4 0E+0 0E+0
-Vm 276.24
Galena
PbS = 1.000Pb+2 - 1.000H+ + 1.000HS-
log_k -14.840
delta_h 82.940 #kJ/mol
# Enthalpy of formation: -98.32 #kJ/mol #98CHA
-analytic -3.09557E-1 0E+0 -4.33225E+3 0E+0 0E+0
# -Vm 0
Gaylussite
CaNa2(CO3)2:5H2O = 1.000Ca+2 + 2.000Na+ + 2.000CO3-2 + 5.000H2O
log_k -9.430 #99KON/KON
delta_h 31.099 #kJ/mol
# Enthalpy of formation: -3834.387 #kJ/mol
-analytic -3.9817E+0 0E+0 -1.62441E+3 0E+0 0E+0
# -Vm 0
Gibbsite
Al(OH)3 = 1.000Al+3 - 3.000H+ + 3.000H2O
log_k 7.740 #95POK/HEL
delta_h -102.784 #kJ/mol
# Enthalpy of formation: -1293.105 #kJ/mol
-analytic -1.0267E+1 0E+0 5.36877E+3 0E+0 0E+0
# -Vm 0
Gismondine
Ca2Al4Si4O16:9H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 4.000H4(SiO4) + 9.000H2O
log_k 38.970
delta_h -477.046 #kJ/mol
# Enthalpy of formation: -11179.8 #kJ/mol #89CHE/RIM
-analytic -4.46047E+1 0E+0 2.49178E+4 0E+0 0E+0
-Vm 315.07
Glaserite
Na2K6(SO4)4 = 6.000K+ + 2.000Na+ + 4.000SO4-2
log_k -7.610 #80HAR/WEA
delta_h 78.360 #kJ/mol
# Enthalpy of formation: -5709.24 #kJ/mol #80HAR/WEA
-analytic 6.11806E+0 0E+0 -4.09302E+3 0E+0 0E+0
# -Vm 0
Glauberite
Na2Ca(SO4)2 = 1.000Ca+2 + 2.000Na+ + 2.000SO4-2
log_k 1.970 #84HAR/MOL
delta_h -13.160 #kJ/mol
# Enthalpy of formation: -2829.2 #kJ/mol #82WAG/EVA
-analytic -3.3553E-1 0E+0 6.87394E+2 0E+0 0E+0
# -Vm 0
Glauconite
(K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 = 0.250Mg+2 + 0.750K+ + 1.250Fe+3 + 0.250Fe+2 + 0.500Al+3 - 7.000H+ + 3.750H4(SiO4) - 3.000H2O
log_k 1.860
delta_h -129.663 #kJ/mol
# Enthalpy of formation: -5151.13 #kJ/mol #15BLA/VIE
-analytic -2.08559E+1 0E+0 6.77276E+3 0E+0 0E+0
-Vm 139.76
Goethite
FeOOH = 1.000Fe+3 - 3.000H+ + 2.000H2O
log_k 0.390 #63SCH/MIC
delta_h -61.541 #kJ/mol
# Enthalpy of formation: -559.119 #kJ/mol
-analytic -1.03915E+1 0E+0 3.21451E+3 0E+0 0E+0
# -Vm 0
Greenalite
Fe3Si2O5(OH)4 = 3.000Fe+2 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O
log_k 21.760
delta_h -177.218 #kJ/mol
# Enthalpy of formation: -3301 #kJ/mol #83MIY/KLE
-analytic -9.28722E+0 0E+0 9.25673E+3 0E+0 0E+0
-Vm 115
Gypsum
CaSO4:2H2O = 1.000Ca+2 + 1.000SO4-2 + 2.000H2O
log_k -4.610
delta_h -1.050 #kJ/mol
# Enthalpy of formation: -2022.95 #kJ/mol #87GAR/PAR
-analytic -4.79395E+0 0E+0 5.48452E+1 0E+0 0E+0
# -Vm 0
Gyrolite
Ca2Si3O7.5(OH):2H2O = 2.000Ca+2 - 4.000H+ + 3.000H4(SiO4) - 1.500H2O
log_k 22.340 #10BLA/BOU1
delta_h -122.847 #kJ/mol
# Enthalpy of formation: -4917.99 #kJ/mol #10BLA/BOU1
-analytic 8.18161E-1 0E+0 6.41674E+3 0E+0 0E+0
-Vm 137.34
H2MoO4(s)
H2MoO4 = 2.000H+ + 1.000MoO4-2
log_k -13.170
delta_h 48.763 #kJ/mol
# Enthalpy of formation: -1045.763 #kJ/mol
-analytic -4.6271E+0 0E+0 -2.54707E+3 0E+0 0E+0
# -Vm 0
H3Cit:H2O(cr)
H3Cit:H2O = 3.000H+ + 1.000Cit-3 + 1.000H2O
log_k -12.940 #05HUM/AND
delta_h 32.710 #kJ/mol #05HUM/AND
# Enthalpy of formation: -1838.46 #kJ/mol
-analytic -7.20946E+0 0E+0 -1.70856E+3 0E+0 0E+0
# -Vm 0
H4Edta(cr)
H4Edta = 4.000H+ + 1.000Edta-4
log_k -27.220 #05HUM/AND
delta_h 55.000 #kJ/mol #05HUM/AND
# Enthalpy of formation: -1759.8 #kJ/mol
-analytic -1.75844E+1 0E+0 -2.87285E+3 0E+0 0E+0
# -Vm 0
HBeidellite-Ca
Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O
log_k 2.090
delta_h -160.492 #kJ/mol
# Enthalpy of formation: -7056.996 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -2.6027E+1 0E+0 8.38307E+3 0E+0 0E+0
-Vm 214.55
HBeidellite-K
K0.34Al2.34Si3.66O10(OH)2:1.96H2O = 0.340K+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O
log_k 2.220
delta_h -167.142 #kJ/mol
# Enthalpy of formation: -6332.047 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -2.7062E+1 0E+0 8.73042E+3 0E+0 0E+0
-Vm 168.65
HBeidellite-Mg
Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O = 0.170Mg+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O
log_k 2.210
delta_h -159.892 #kJ/mol
# Enthalpy of formation: -7090.409 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -2.58018E+1 0E+0 8.35173E+3 0E+0 0E+0
-Vm 212.61
HBeidellite-Na
Na0.34Al2.34Si3.66O10(OH)2:3.84H2O = 0.340Na+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O
log_k 1.830
delta_h -171.523 #kJ/mol
# Enthalpy of formation: -6861.015 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -2.82195E+1 0E+0 8.95926E+3 0E+0 0E+0
-Vm 201.94
HMontmorillonite-BCCa
Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O = 0.170Ca+2 + 0.340Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.450H2O
log_k 2.180
delta_h -118.558 #kJ/mol
# Enthalpy of formation: -6999.676 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -1.85904E+1 0E+0 6.19271E+3 0E+0 0E+0
-Vm 216.02
HMontmorillonite-BCK
K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O = 0.340Mg+2 + 0.340K+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 2.040H2O
log_k 2.070
delta_h -123.827 #kJ/mol
# Enthalpy of formation: -6276.107 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -1.96235E+1 0E+0 6.46793E+3 0E+0 0E+0
-Vm 170.13
HMontmorillonite-BCMg
Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O = 0.510Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.610H2O
log_k 2.330
delta_h -118.107 #kJ/mol
# Enthalpy of formation: -7032.939 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -1.83614E+1 0E+0 6.16915E+3 0E+0 0E+0
-Vm 214.08
HMontmorillonite-BCNa
Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O = 0.340Mg+2 + 0.340Na+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 0.160H2O
log_k 1.770
delta_h -128.688 #kJ/mol
# Enthalpy of formation: -6804.595 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -2.07751E+1 0E+0 6.72183E+3 0E+0 0E+0
-Vm 203.42
HMontmorillonite-HCCa
Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O = 0.300Ca+2 + 0.600Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.450H2O
log_k 6.150
delta_h -134.134 #kJ/mol
# Enthalpy of formation: -7036.126 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -1.73492E+1 0E+0 7.0063E+3 0E+0 0E+0
-Vm 220.76
HMontmorillonite-HCK
K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O = 0.600Mg+2 + 0.600K+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 2.040H2O
log_k 4.240
delta_h -119.730 #kJ/mol
# Enthalpy of formation: -6327.197 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -1.67358E+1 0E+0 6.25392E+3 0E+0 0E+0
-Vm 174.18
HMontmorillonite-HCMg
Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O = 0.900Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.610H2O
log_k 6.470
delta_h -133.713 #kJ/mol
# Enthalpy of formation: -7059.479 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -1.69555E+1 0E+0 6.98431E+3 0E+0 0E+0
-Vm 215.18
HMontmorillonite-HCNa
Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O = 0.600Mg+2 + 0.600Na+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 0.160H2O
log_k 4.540
delta_h -132.492 #kJ/mol
# Enthalpy of formation: -6844.715 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -1.86716E+1 0E+0 6.92053E+3 0E+0 0E+0
-Vm 206.92
HNontronite-Ca
Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O
log_k -2.850
delta_h -109.854 #kJ/mol
# Enthalpy of formation: -6290.336 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -2.20956E+1 0E+0 5.73807E+3 0E+0 0E+0
-Vm 214.18
HNontronite-K
K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O = 0.340K+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O
log_k 0.420
delta_h -116.514 #kJ/mol
# Enthalpy of formation: -5565.377 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -1.99923E+1 0E+0 6.08594E+3 0E+0 0E+0
-Vm 168.28
HNontronite-Mg
Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O = 0.170Mg+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O
log_k -2.560
delta_h -109.254 #kJ/mol
# Enthalpy of formation: -6323.749 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -2.17005E+1 0E+0 5.70673E+3 0E+0 0E+0
-Vm 212.67
HNontronite-Na
Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O = 0.340Na+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O
log_k -3.110
delta_h -120.885 #kJ/mol
# Enthalpy of formation: -6094.355 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -2.42881E+1 0E+0 6.31425E+3 0E+0 0E+0
-Vm 201.57
HSaponite-Ca
Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 3.000Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O
log_k 28.360
delta_h -239.662 #kJ/mol
# Enthalpy of formation: -7302.026 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -1.36269E+1 0E+0 1.25184E+4 0E+0 0E+0
-Vm 223.01
HSaponite-FeCa
Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 2.000Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O
log_k 27.950
delta_h -235.552 #kJ/mol
# Enthalpy of formation: -6929.136 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -1.33169E+1 0E+0 1.23037E+4 0E+0 0E+0
-Vm 225.59
HSaponite-FeK
K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O = 2.000Mg+2 + 0.340K+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O
log_k 28.090
delta_h -242.212 #kJ/mol
# Enthalpy of formation: -6204.177 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -1.43437E+1 0E+0 1.26516E+4 0E+0 0E+0
-Vm 179.69
HSaponite-FeMg
Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O = 2.170Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O
log_k 28.050
delta_h -234.962 #kJ/mol
# Enthalpy of formation: -6962.539 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -1.31135E+1 0E+0 1.22729E+4 0E+0 0E+0
-Vm 223.85
HSaponite-FeNa
Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O = 2.000Mg+2 + 0.340Na+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O
log_k 27.700
delta_h -246.583 #kJ/mol
# Enthalpy of formation: -6733.155 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -1.54994E+1 0E+0 1.28799E+4 0E+0 0E+0
-Vm 212.99
HSaponite-K
K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O = 3.000Mg+2 + 0.340K+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O
log_k 28.490
delta_h -246.322 #kJ/mol
# Enthalpy of formation: -6577.067 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -1.46637E+1 0E+0 1.28663E+4 0E+0 0E+0
-Vm 177.11
HSaponite-Mg
Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O = 3.170Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O
log_k 28.480
delta_h -239.062 #kJ/mol
# Enthalpy of formation: -7335.439 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -1.34018E+1 0E+0 1.24871E+4 0E+0 0E+0
-Vm 221.08
HSaponite-Na
Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O = 3.000Mg+2 + 0.340Na+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O
log_k 28.030
delta_h -250.288 #kJ/mol
# Enthalpy of formation: -7106.45 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -1.58185E+1 0E+0 1.30734E+4 0E+0 0E+0
-Vm 210.4
HVermiculite-Ca
Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O = 0.430Ca+2 + 3.000Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 3.890H2O
log_k 97.820
delta_h -683.046 #kJ/mol
# Enthalpy of formation: -7114.496 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -2.18443E+1 0E+0 3.56779E+4 0E+0 0E+0
-Vm 219.36
HVermiculite-K
K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O = 3.000Mg+2 + 0.860K+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 1.400H2O
log_k 87.680
delta_h -609.749 #kJ/mol
# Enthalpy of formation: -6459.427 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -1.91433E+1 0E+0 3.18494E+4 0E+0 0E+0
-Vm 175.49
HVermiculite-Mg
Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O = 3.430Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 4.050H2O
log_k 68.180
delta_h -523.376 #kJ/mol
# Enthalpy of formation: -7287.219 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -2.35114E+1 0E+0 2.73378E+4 0E+0 0E+0
-Vm 222.24
HVermiculite-Na
Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O = 3.000Mg+2 + 0.860Na+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 3.280H2O
log_k 96.520
delta_h -673.353 #kJ/mol
# Enthalpy of formation: -6923.035 #kJ/mol #13BLA/VI; 11VIE/BLA
-analytic -2.14462E+1 0E+0 3.51716E+4 0E+0 0E+0
-Vm 210.12
Halite
NaCl = 1.000Na+ + 1.000Cl-
log_k 1.590
delta_h 3.700 #kJ/mol
# Enthalpy of formation: -411.12 #kJ/mol #98CHA
-analytic 2.23821E+0 0E+0 -1.93264E+2 0E+0 0E+0
# -Vm 0
Halloysite
Al2Si2O5(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O
log_k 10.320
delta_h -192.418 #kJ/mol
# Enthalpy of formation: -4092.6 #kJ/mol #99DEL/NAV
-analytic -2.33901E+1 0E+0 1.00507E+4 0E+0 0E+0
# -Vm 0
Hausmannite
Mn3O4 = 3.000Mn+2 - 8.000H+ - 2.000e- + 4.000H2O
log_k 61.320 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.132E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Heazlewoodite
Ni3S2 = 3.000Ni+2 - 2.000H+ + 2.000e- + 2.000HS-
log_k -17.230
delta_h 19.564 #kJ/mol
# Enthalpy of formation: -217.2 #kJ/mol #05GAM/BUG
-analytic -1.38025E+1 0E+0 -1.0219E+3 0E+0 0E+0
# -Vm 0
Hematite
Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O
log_k -1.020 #05GRI
delta_h -123.704 #kJ/mol
# Enthalpy of formation: -831.784 #kJ/mol
-analytic -2.2692E+1 0E+0 6.4615E+3 0E+0 0E+0
# -Vm 0
Hemicarboaluminate
Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O = 8.000Ca+2 + 4.000Al+3 - 26.000H+ + 1.000CO3-2 + 35.000H2O
log_k 173.200 #07MAT/LOT1
delta_h -1189.079 #kJ/mol
# Enthalpy of formation: -15987.789 #kJ/mol
-analytic -3.51174E+1 0E+0 6.21098E+4 0E+0 0E+0
-Vm 569.02
Herzenbergite
SnS = 1.000Sn+2 - 1.000H+ + 1.000HS-
log_k -16.210
delta_h 83.683 #kJ/mol
# Enthalpy of formation: -109.6 #kJ/mol #12GAM/GAJ
-analytic -1.54939E+0 0E+0 -4.37106E+3 0E+0 0E+0
# -Vm 0
Heulandite_Ca
Ca1.07Al2.14Si6.86O18:6.17H2O = 1.070Ca+2 + 2.140Al+3 - 8.560H+ + 6.860H4(SiO4) - 3.270H2O
log_k 2.460 #09BLA
delta_h -155.113 #kJ/mol
# Enthalpy of formation: -10667.2 #kJ/mol #09BLA
-analytic -2.47146E+1 0E+0 8.1021E+3 0E+0 0E+0
-Vm 322.06
Heulandite_Na
Na2.14Al2.14Si6.86O18:6.17H2O = 2.140Na+ + 2.140Al+3 - 8.560H+ + 6.860H4(SiO4) - 3.270H2O
log_k 2.800 #09BLA
delta_h -142.780 #kJ/mol
# Enthalpy of formation: -10612.85 #kJ/mol #09BLA
-analytic -2.22139E+1 0E+0 7.45791E+3 0E+0 0E+0
-Vm 325
Hexahydrite
Mg(SO4):6H2O = 1.000Mg+2 + 1.000SO4-2 + 6.000H2O
log_k -1.640 #84HAR/MOL
delta_h -4.625 #kJ/mol
# Enthalpy of formation: -3086.692 #kJ/mol
-analytic -2.45026E+0 0E+0 2.4158E+2 0E+0 0E+0
# -Vm 0
Hf(HPO4)2:H2O(s)
Hf(HPO4)2:H2O = - 2.000H+ + 2.000H2(PO4)- + 1.000Hf+4 + 1.000H2O
log_k -21.050 #25HEV/KIM recalculated
delta_h -38.340 #kJ/mol
# Enthalpy of formation: -3481.6 #kJ/mol #97KAR/CHE
-analytic -2.77669E+1 0E+0 2.00263E+3 0E+0 0E+0
# -Vm 0
Hf(cr)
Hf = 4.000e- + 1.000Hf+4
log_k 97.200
delta_h -628.910 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #79ROB/HEM
-analytic -1.29801E+1 0E+0 3.28502E+4 0E+0 0E+0
# -Vm 0
HfO2(am)
HfO2 = - 4.000H+ + 1.000Hf+4 + 2.000H2O
log_k 0.900 #01RAI/XIA
delta_h -98.870 #kJ/mol
# Enthalpy of formation: -1101.7 #kJ/mol #98KAR/CHE
-analytic -1.64213E+1 0E+0 5.16433E+3 0E+0 0E+0
# -Vm 0
HfO2(cr)
HfO2 = - 4.000H+ + 1.000Hf+4 + 2.000H2O
log_k -5.620
delta_h -82.940 #kJ/mol
# Enthalpy of formation: -1117.63 #kJ/mol #75KOR/USH
-analytic -2.01504E+1 0E+0 4.33225E+3 0E+0 0E+0
# -Vm 0
Hillebrandite
Ca2SiO3(OH)2:0.17H2O = 2.000Ca+2 - 4.000H+ + 1.000H4(SiO4) + 1.170H2O
log_k 36.950 #10BLA/BOU1
delta_h -219.135 #kJ/mol
# Enthalpy of formation: -2662.48 #kJ/mol #56NEW
-analytic -1.44075E+0 0E+0 1.14462E+4 0E+0 0E+0
-Vm 72.58
Ho(OH)3(am)
Ho(OH)3 = - 3.000H+ + 1.000Ho+3 + 3.000H2O
log_k 17.480 #98DIA/RAG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.748E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ho(OH)3(s)
Ho(OH)3 = - 3.000H+ + 1.000Ho+3 + 3.000H2O
log_k 15.430 #98DIA/RAG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.543E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ho(PO4):xH2O(s)
Ho(PO4) = - 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)-
log_k -4.640 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.64E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ho(cr)
Ho = 1.000Ho+3 + 3.000e-
log_k 118.310
delta_h -707.042 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #82WAG/EVA
-analytic -5.55826E+0 0E+0 3.69313E+4 0E+0 0E+0
# -Vm 0
Ho2(CO3)3(cr)
Ho2(CO3)3 = 2.000Ho+3 + 3.000CO3-2
log_k -33.800 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.38E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ho2O3(s)
Ho2O3 = - 6.000H+ + 2.000Ho+3 + 3.000H2O
log_k 47.410
delta_h -390.706 #kJ/mol
# Enthalpy of formation: -1880.868 #kJ/mol
-analytic -2.10387E+1 0E+0 2.0408E+4 0E+0 0E+0
# -Vm 0
HoCl3:6H2O(s)
HoCl3:6H2O = 1.000Ho+3 + 3.000Cl- + 6.000H2O
log_k 5.390 #95SPA/BRU
delta_h -43.846 #kJ/mol
# Enthalpy of formation: -2879.413 #kJ/mol
-analytic -2.29148E+0 0E+0 2.29023E+3 0E+0 0E+0
# -Vm 0
HoF3:0.5H2O(s)
HoF3:0.5H2O = 1.000Ho+3 + 3.000F- + 0.500H2O
log_k -16.400 #95SPA/BRU
delta_h -149.007 #kJ/mol
# Enthalpy of formation: -1707 #kJ/mol #82WAG/EVA
-analytic -4.25049E+1 0E+0 7.78317E+3 0E+0 0E+0
# -Vm 0
HoPO4:H2O(cr)
HoPO4:H2O = - 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- + 1.000H2O
log_k -5.560 #97LIU/BYR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.56E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Hydrocerussite
Pb3(CO3)2(OH)2 = 3.000Pb+2 - 2.000H+ + 2.000CO3-2 + 2.000H2O
log_k -17.910
delta_h -5.160 #kJ/mol
# Enthalpy of formation: -1914.2 #kJ/mol #83SAN/BAR
-analytic -1.8814E+1 0E+0 2.69525E+2 0E+0 0E+0
# -Vm 0
Hydrophilite
CaCl2 = 1.000Ca+2 + 2.000Cl-
log_k 11.770
delta_h -81.360 #kJ/mol
# Enthalpy of formation: -795.8 #kJ/mol #98CHA
-analytic -2.48364E+0 0E+0 4.24972E+3 0E+0 0E+0
# -Vm 0
Hydrotalcite
Mg4Al2(OH)14:3H2O = 4.000Mg+2 + 2.000Al+3 - 14.000H+ + 17.000H2O
log_k 73.740 #92ATK/GLA
delta_h -584.220 #kJ/mol
# Enthalpy of formation: -7219.684 #kJ/mol
-analytic -2.86108E+1 0E+0 3.05159E+4 0E+0 0E+0
-Vm 227.36
Hydrotalcite-CO3
Mg4Al2(OH)12CO3:2H2O = 4.000Mg+2 + 2.000Al+3 - 12.000H+ + 1.000CO3-2 + 14.000H2O
log_k 50.860 #03JOH/GLA
delta_h -542.756 #kJ/mol
# Enthalpy of formation: -7078.889 #kJ/mol
-analytic -4.42266E+1 0E+0 2.83501E+4 0E+0 0E+0
-Vm 231.46
Hydroxyapatite
Ca5(OH)(PO4)3 = 5.000Ca+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O
log_k 14.350 #84NAN
delta_h -178.487 #kJ/mol
# Enthalpy of formation: -6730.141 #kJ/mol
-analytic -1.69195E+1 0E+0 9.32301E+3 0E+0 0E+0
# -Vm 0
I2(cr)
I2 = - 2.000e- + 2.000I-
log_k 18.120
delta_h -113.560 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic -1.77483E+0 0E+0 5.93164E+3 0E+0 0E+0
# -Vm 0
Illite-Al
K0.85Al2.85Si3.15O10(OH)2 = 0.850K+ + 2.850Al+3 - 9.400H+ + 3.150H4(SiO4) - 0.600H2O
log_k 13.020
delta_h -266.372 #kJ/mol
# Enthalpy of formation: -5913.65 #kJ/mol #15BLA/VIE
-analytic -3.36463E+1 0E+0 1.39136E+4 0E+0 0E+0
-Vm 138.98
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 9.450
delta_h -216.501 #kJ/mol
# Enthalpy of formation: -5796.29 #kJ/mol #15BLA/VIE
-analytic -2.84793E+1 0E+0 1.13086E+4 0E+0 0E+0
-Vm 140.67
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 11.010
delta_h -225.651 #kJ/mol
# Enthalpy of formation: -5881.39 #kJ/mol #15BLA/VIE
-analytic -2.85223E+1 0E+0 1.17866E+4 0E+0 0E+0
-Vm 140.06
Illite-Smec_ISCz-1(2.996H2O)
(Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O = 0.218Mg+2 + 0.530K+ + 0.134Na+ + 0.050Fe+3 + 0.017Fe+2 + 2.152Al+3 - 7.740H+ + 3.565H4(SiO4) + 0.736H2O
log_k 13.610
delta_h -225.170 #kJ/mol
# Enthalpy of formation: -6624.62 #kJ/mol #09GAI
-analytic -2.5838E+1 0E+0 1.17614E+4 0E+0 0E+0
-Vm 192.42
Illite/smectiteISCz-1
(Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 = 0.092Ca+2 + 0.255Mg+2 + 0.439K+ + 0.034Fe+3 + 0.011Fe+2 + 2.169Al+3 - 7.764H+ + 3.559H4(SiO4) - 2.236H2O
log_k 10.890
delta_h -224.050 #kJ/mol
# Enthalpy of formation: -5787.4 #kJ/mol #14BLA/GAI
-analytic -2.83618E+1 0E+0 1.17029E+4 0E+0 0E+0
-Vm 137.13
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 11.520
delta_h -230.806 #kJ/mol
# Enthalpy of formation: -5711.25 #kJ/mol #12GAI/BLA
-analytic -2.89154E+1 0E+0 1.20558E+4 0E+0 0E+0
-Vm 139.18
Jaffeite
Ca6(Si2O7)(OH)6 = 6.000Ca+2 - 12.000H+ + 2.000H4(SiO4) + 5.000H2O
log_k 114.060
delta_h -636.768 #kJ/mol
# Enthalpy of formation: -6972.77 #kJ/mol #10BLA/BOU1
-analytic 2.5032E+0 0E+0 3.32607E+4 0E+0 0E+0
-Vm 174.38
Jennite
Ca9Si6O16(OH)10:6H2O = 9.000Ca+2 - 18.000H+ + 6.000H4(SiO4) + 8.000H2O
log_k 147.330 #10BLA/BOU1
delta_h -751.764 #kJ/mol
# Enthalpy of formation: -15189.04 #kJ/mol #10BLA/BOU1
-analytic 1.56268E+1 0E+0 3.92673E+4 0E+0 0E+0
-Vm 456.4
K(NO3)(s)
K(NO3) = 1.000K+ + 1.000NO3-
log_k -0.100 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1E-1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
K(OH)(s)
K(OH) = 1.000K+ - 1.000H+ + 1.000H2O
log_k 24.600 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
K(TcO4)(s)
K(TcO4) = 1.000K+ + 1.000TcO4-
log_k -2.280
delta_h 53.560 #kJ/mol
# Enthalpy of formation: -1035.1 #kJ/mol #99RAR/RAN
-analytic 7.1033E+0 0E+0 -2.79763E+3 0E+0 0E+0
# -Vm 0
K(cr)
K = 1.000K+ + 1.000e-
log_k 49.490
delta_h -252.140 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic 5.31703E+0 0E+0 1.31702E+4 0E+0 0E+0
# -Vm 0
K-carbonate
K2CO3:1.5H2O = 2.000K+ + 1.000CO3-2 + 1.500H2O
log_k 3.030 #84HAR/MOL
delta_h -1.188 #kJ/mol
# Enthalpy of formation: -1607.068 #kJ/mol
-analytic 2.82187E+0 0E+0 6.20535E+1 0E+0 0E+0
# -Vm 0
K-trona
K2NaH(CO3)2:2H2O = 2.000K+ + 1.000Na+ + 1.000H+ + 2.000CO3-2 + 2.000H2O
log_k -9.100 #84HAR/MOL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -9.1E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
K2CO3(cr)
K2CO3 = 2.000K+ + 1.000CO3-2
log_k 5.410
delta_h -31.798 #kJ/mol #74NAU/RYZ
# Enthalpy of formation: -1147.712 #kJ/mol
-analytic -1.60762E-1 0E+0 1.66092E+3 0E+0 0E+0
# -Vm 0
K2O(s)
K2O = 2.000K+ - 2.000H+ + 1.000H2O
log_k 84.110
delta_h -426.940 #kJ/mol
# Enthalpy of formation: -363.17 #kJ/mol #98CHA
-analytic 9.31343E+0 0E+0 2.23006E+4 0E+0 0E+0
# -Vm 0
K4NpO2(CO3)3(s)
K4NpO2(CO3)3 = 4.000K+ + 1.000NpO2+2 + 3.000CO3-2
log_k -26.400 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.64E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
KAl(SO4)2(s)
KAl(SO4)2 = 1.000K+ + 1.000Al+3 + 2.000SO4-2
log_k 3.740 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.74E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
KAl(SO4)2:12H2O(s)
KAl(SO4)2:12H2O = 1.000K+ + 1.000Al+3 + 2.000SO4-2 + 12.000H2O
log_k -6.680 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.68E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
KBr(s)
KBr = 1.000K+ + 1.000Br-
log_k 1.130 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.13E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
KFe(CrO4)2:2H2O(s)
KFe(CrO4)2:2H2O = 1.000K+ + 1.000Fe+3 + 2.000CrO4-2 + 2.000H2O
log_k -19.390 #98BAR/PAL
delta_h 27.540 #kJ/mol #98BAR/PAL
# Enthalpy of formation: -2658.34 #kJ/mol
-analytic -1.45652E+1 0E+0 -1.43851E+3 0E+0 0E+0
# -Vm 0
KFe3(CrO4)2(OH)6(cr)
KFe3(CrO4)2(OH)6 = 1.000K+ + 3.000Fe+3 - 6.000H+ + 2.000CrO4-2 + 6.000H2O
log_k -18.400 #96BAR/PAL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.84E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
KH2PO4(cr)
KH2PO4 = 1.000K+ + 1.000H2(PO4)-
log_k -0.370
delta_h 19.686 #kJ/mol #74NAU/RYZ
# Enthalpy of formation: -1574.426 #kJ/mol
-analytic 3.07883E+0 0E+0 -1.02827E+3 0E+0 0E+0
# -Vm 0
KI(s)
KI = 1.000K+ + 1.000I-
log_k 1.740 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.74E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Kainite
KMgCl(SO4):3H2O = 1.000Mg+2 + 1.000K+ + 1.000SO4-2 + 1.000Cl- + 3.000H2O
log_k -0.190 #84HAR/MOL
delta_h -12.950 #kJ/mol
# Enthalpy of formation: -2640.1 #kJ/mol #82WAG/EVA
-analytic -2.45874E+0 0E+0 6.76425E+2 0E+0 0E+0
# -Vm 0
Kalicinite
KHCO3 = 1.000K+ + 1.000H+ + 1.000CO3-2
log_k -10.060 #84HAR/MOL
delta_h 34.950 #kJ/mol
# Enthalpy of formation: -962.32 #kJ/mol #74NAU/RYZ
-analytic -3.93703E+0 0E+0 -1.82556E+3 0E+0 0E+0
# -Vm 0
Kaolinite
Al2(Si2O5)(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O
log_k 6.500
delta_h -169.718 #kJ/mol
# Enthalpy of formation: -4115.3 #kJ/mol #01FIA/NAV
-analytic -2.32333E+1 0E+0 8.86498E+3 0E+0 0E+0
-Vm 99.34
Katoite
Ca3Al2(SiO4)(OH)8 = 3.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000H4(SiO4) + 8.000H2O
log_k 71.160 #10BLA/BOU2
delta_h -545.767 #kJ/mol
# Enthalpy of formation: -5907.865 #kJ/mol
-analytic -2.44541E+1 0E+0 2.85074E+4 0E+0 0E+0
-Vm 141.51
Lanarkite
PbSO4:PbO = 2.000Pb+2 - 2.000H+ + 1.000SO4-2 + 1.000H2O
log_k 2.630 #82ABD/THO
delta_h -39.234 #kJ/mol
# Enthalpy of formation: -1154.096 #kJ/mol
-analytic -4.24349E+0 0E+0 2.04933E+3 0E+0 0E+0
# -Vm 0
Lansfordite
Mg(CO3):5H2O = 1.000Mg+2 + 1.000CO3-2 + 5.000H2O
log_k -5.040
delta_h 2.890 #kJ/mol
# Enthalpy of formation: -2574.27 #kJ/mol #99KON/KON
-analytic -4.53369E+0 0E+0 -1.50955E+2 0E+0 0E+0
# -Vm 0
Laumontite
CaAl2Si4O12:4H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4)
log_k 11.670
delta_h -213.576 #kJ/mol
# Enthalpy of formation: -7251 #kJ/mol #96KIS/NAV
-analytic -2.57469E+1 0E+0 1.11558E+4 0E+0 0E+0
-Vm 207.53
Laurionite
PbClOH = 1.000Pb+2 - 1.000H+ + 1.000Cl- + 1.000H2O
log_k 0.620 #99LOT/OCH
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.2E-1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Lawrencite
FeCl2 = 1.000Fe+2 + 2.000Cl-
log_k 8.890
delta_h -82.460 #kJ/mol
# Enthalpy of formation: -341.7 #kJ/mol #95ROB/HEM
-analytic -5.55635E+0 0E+0 4.30718E+3 0E+0 0E+0
# -Vm 0
Leonhardtite
MgSO4:4H2O = 1.000Mg+2 + 1.000SO4-2 + 4.000H2O
log_k -0.890 #80HAR/WEA
delta_h -24.030 #kJ/mol
# Enthalpy of formation: -2495.63 #kJ/mol #74NAU/RYZ
-analytic -5.09987E+0 0E+0 1.25517E+3 0E+0 0E+0
# -Vm 0
Leonite
K2Mg(SO4)2:4H2O = 1.000Mg+2 + 2.000K+ + 2.000SO4-2 + 4.000H2O
log_k -3.980 #84HAR/MOL
delta_h 15.290 #kJ/mol
# Enthalpy of formation: -3948.57 #kJ/mol #74NAU/RYZ
-analytic -1.30131E+0 0E+0 -7.98651E+2 0E+0 0E+0
# -Vm 0
Lepidocrocite
FeOOH = 1.000Fe+3 - 3.000H+ + 2.000H2O
log_k 0.750 #98DIA2 in 98CHI
delta_h -64.222 #kJ/mol
# Enthalpy of formation: -556.438 #kJ/mol
-analytic -1.05012E+1 0E+0 3.35454E+3 0E+0 0E+0
# -Vm 0
Li(cr)
Li = 1.000e- + 1.000Li+
log_k 51.320
delta_h -278.470 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic 2.53422E+0 0E+0 1.45455E+4 0E+0 0E+0
# -Vm 0
Linnaeite
Co3S4 = 3.000Co+2 - 4.000H+ - 2.000e- + 4.000HS-
log_k -42.760
delta_h 136.500 #kJ/mol
# Enthalpy of formation: -374.5 #kJ/mol #95ROB/HEM
-analytic -1.88463E+1 0E+0 -7.12988E+3 0E+0 0E+0
# -Vm 0
Litharge
PbO = 1.000Pb+2 - 2.000H+ + 1.000H2O
log_k 12.630
delta_h -65.501 #kJ/mol
# Enthalpy of formation: -219.409 #kJ/mol #98CHA
-analytic 1.15473E+0 0E+0 3.42135E+3 0E+0 0E+0
# -Vm 0
Lizardite
Mg3Si2O5(OH)4 = 3.000Mg+2 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O
log_k 33.080
delta_h -247.218 #kJ/mol
# Enthalpy of formation: -4362 #kJ/mol #04EVA
-analytic -1.02307E+1 0E+0 1.29131E+4 0E+0 0E+0
-Vm 107.5
Mackinawite
FeS = 1.000Fe+2 - 1.000H+ + 1.000HS-
log_k -3.600 #91DAV
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.6E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Maghemite(disord)
Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O
log_k 3.310 #98DIA1 in 98CHI
delta_h -148.420 #kJ/mol
# Enthalpy of formation: -807.069 #kJ/mol
-analytic -2.2692E+1 0E+0 7.75251E+3 0E+0 0E+0
# -Vm 0
Maghemite(ord)
Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O
log_k 3.520 #98DIA1 in 98CHI
delta_h -150.811 #kJ/mol
# Enthalpy of formation: -804.678 #kJ/mol
-analytic -2.29009E+1 0E+0 7.8774E+3 0E+0 0E+0
# -Vm 0
Magnesite(nat)
MgCO3 = 1.000Mg+2 + 1.000CO3-2
log_k -8.910
delta_h -24.290 #kJ/mol
# Enthalpy of formation: -1117.94 #kJ/mol #99KON/KON
-analytic -1.31654E+1 0E+0 1.26875E+3 0E+0 0E+0
# -Vm 0
Magnesite(syn)
Mg(CO3) = 1.000Mg+2 + 1.000CO3-2
log_k -8.100
delta_h -28.930 #kJ/mol
# Enthalpy of formation: -1113.3 #kJ/mol #95ROB/HEM
-analytic -1.31683E+1 0E+0 1.51112E+3 0E+0 0E+0
# -Vm 0
Magnetite
Fe3O4 = 2.000Fe+3 + 1.000Fe+2 - 8.000H+ + 4.000H2O
log_k 10.410
delta_h -215.920 #kJ/mol
# Enthalpy of formation: -1115.4 #kJ/mol #88ONE
-analytic -2.74175E+1 0E+0 1.12783E+4 0E+0 0E+0
# -Vm 0
Manganite
MnOOH = 1.000Mn+2 - 3.000H+ - 1.000e- + 2.000H2O
log_k 25.270 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.527E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Margarite
CaAl4Si2O10(OH)2 = 1.000Ca+2 + 4.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O
log_k 36.990
delta_h -518.308 #kJ/mol
# Enthalpy of formation: -6244 #kJ/mol #95ROB/HEM
-analytic -5.38135E+1 0E+0 2.70731E+4 0E+0 0E+0
-Vm 129.63
Massicot
PbO = 1.000Pb+2 - 2.000H+ + 1.000H2O
log_k 12.740
delta_h -66.848 #kJ/mol
# Enthalpy of formation: -218.062 #kJ/mol #98CHA
-analytic 1.02875E+0 0E+0 3.49171E+3 0E+0 0E+0
# -Vm 0
Melanterite
FeSO4:7H2O = 1.000Fe+2 + 1.000SO4-2 + 7.000H2O
log_k -2.210 #90NOR/PLU
delta_h 20.543 #kJ/mol #90NOR/PLU
# Enthalpy of formation: -3020.693 #kJ/mol
-analytic 1.38897E+0 0E+0 -1.07303E+3 0E+0 0E+0
# -Vm 0
Mercallite
KHSO4 = 1.000K+ + 1.000H+ + 1.000SO4-2
log_k -1.400 #84HAR/MOL
delta_h -0.590 #kJ/mol
# Enthalpy of formation: -1160.89 #kJ/mol #74NAU/RYZ
-analytic -1.50336E+0 0E+0 3.08178E+1 0E+0 0E+0
# -Vm 0
Merlinoite_K
K1.04Al1.04Si1.96O6:1.69H2O = 1.040K+ + 1.040Al+3 - 4.160H+ + 1.960H4(SiO4) - 0.150H2O
log_k 9.470
delta_h -105.627 #kJ/mol
# Enthalpy of formation: -3537.6 #kJ/mol #09BLA
-analytic -9.03503E+0 0E+0 5.51727E+3 0E+0 0E+0
-Vm 112.91
Merlinoite_Na
Na1.04Al1.04Si1.96O6:2.27H2O = 1.040Na+ + 1.040Al+3 - 4.160H+ + 1.960H4(SiO4) + 0.430H2O
log_k 10.290
delta_h -115.307 #kJ/mol
# Enthalpy of formation: -3681.43 #kJ/mol #09BLA
-analytic -9.91089E+0 0E+0 6.0229E+3 0E+0 0E+0
-Vm 114.04
Mg(HPO4):3H2O(s)
Mg(HPO4):3H2O = 1.000Mg+2 - 1.000H+ + 1.000H2(PO4)- + 3.000H2O
log_k 1.410 #01WEN/MUS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.41E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Mg(NO3)2(s)
Mg(NO3)2 = 1.000Mg+2 + 2.000NO3-
log_k 15.500 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.55E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Mg(NO3)2:6H2O(s)
Mg(NO3)2:6H2O = 1.000Mg+2 + 2.000NO3- + 6.000H2O
log_k 2.580 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.58E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Mg(SO4)(s)
Mg(SO4) = 1.000Mg+2 + 1.000SO4-2
log_k 9.100
delta_h -114.550 #kJ/mol
# Enthalpy of formation: -1261.79 #kJ/mol #98CHA
-analytic -1.09683E+1 0E+0 5.98335E+3 0E+0 0E+0
# -Vm 0
Mg(SO4):H2O(s)
Mg(SO4):H2O = 1.000Mg+2 + 1.000SO4-2 + 1.000H2O
log_k -0.120 #84HAR/MOL
delta_h -51.464 #kJ/mol
# Enthalpy of formation: -1610.705 #kJ/mol
-analytic -9.13609E+0 0E+0 2.68815E+3 0E+0 0E+0
# -Vm 0
Mg(SeO3):6H2O(s)
Mg(SeO3):6H2O = 1.000Mg+2 + 1.000SeO3-2 + 6.000H2O
log_k -5.820 #05OLI/NOL
delta_h 18.070 #kJ/mol
# Enthalpy of formation: -2707.21 #kJ/mol #05OLI/NOL
-analytic -2.65428E+0 0E+0 -9.4386E+2 0E+0 0E+0
# -Vm 0
Mg(SeO4):6H2O(s)
Mg(SeO4):6H2O = 1.000Mg+2 + 1.000SeO4-2 + 6.000H2O
log_k -1.130 #05OLI/NOL
delta_h -4.080 #kJ/mol
# Enthalpy of formation: -2781.4 #kJ/mol #05OLI/NOL
-analytic -1.84478E+0 0E+0 2.13113E+2 0E+0 0E+0
# -Vm 0
Mg(cr)
Mg = 1.000Mg+2 + 2.000e-
log_k 79.780
delta_h -467.000 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic -2.03477E+0 0E+0 2.43931E+4 0E+0 0E+0
# -Vm 0
Mg-oxychlorur
Mg2Cl(OH)3:4H2O = 2.000Mg+2 - 3.000H+ + 1.000Cl- + 7.000H2O
log_k 26.030 #84HAR/MOL
delta_h -154.690 #kJ/mol
# Enthalpy of formation: -2947.2 #kJ/mol #82WAG/EVA
-analytic -1.07048E+0 0E+0 8.08001E+3 0E+0 0E+0
# -Vm 0
Mg3(PO4)2(cr)
Mg3(PO4)2 = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)-
log_k 15.820 #68RAC/SOP
delta_h -214.093 #kJ/mol
# Enthalpy of formation: -3792.106 #kJ/mol
-analytic -2.16874E+1 0E+0 1.11828E+4 0E+0 0E+0
# -Vm 0
Mg3(PO4)2:22H2O(s)
Mg3(PO4)2:22H2O = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- + 22.000H2O
log_k 16.000 #63TAY/FRA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Mg3(PO4)2:8H2O(s)
Mg3(PO4)2:8H2O = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- + 8.000H2O
log_k 13.900 #63TAY/FRA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Mg5(CO3)4(OH)2:4H2O(s)
Mg5(CO3)4(OH)2:4H2O = 5.000Mg+2 - 2.000H+ + 4.000CO3-2 + 6.000H2O
log_k -10.310
delta_h -234.900 #kJ/mol
# Enthalpy of formation: -6516 #kJ/mol #73ROB/HEM
-analytic -5.14627E+1 0E+0 1.22697E+4 0E+0 0E+0
# -Vm 0
MgBr2(s)
MgBr2 = 1.000Mg+2 + 2.000Br-
log_k 27.800 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.78E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
MgBr2:6H2O(s)
MgBr2:6H2O = 1.000Mg+2 + 2.000Br- + 6.000H2O
log_k 5.220 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.22E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
MgCl2(s)
MgCl2 = 1.000Mg+2 + 2.000Cl-
log_k 22.030
delta_h -159.540 #kJ/mol
# Enthalpy of formation: -641.62 #kJ/mol #98CHA
-analytic -5.92017E+0 0E+0 8.33334E+3 0E+0 0E+0
# -Vm 0
MgCl2:2H2O(s)
MgCl2:2H2O = 1.000Mg+2 + 2.000Cl- + 2.000H2O
log_k 12.900 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
MgCl2:4H2O(s)
MgCl2:4H2O = 1.000Mg+2 + 2.000Cl- + 4.000H2O
log_k 7.440 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7.44E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
MgCl2:H2O(s)
MgCl2:H2O = 1.000Mg+2 + 2.000Cl- + 1.000H2O
log_k 16.220 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.622E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
MgCr2O4(s)
MgCr2O4 = 1.000Mg+2 - 8.000H+ + 2.000Cr+3 + 4.000H2O
log_k 22.170
delta_h -307.720 #kJ/mol
# Enthalpy of formation: -1783.6 #kJ/mol #95ROB/HEM
-analytic -3.17402E+1 0E+0 1.60733E+4 0E+0 0E+0
# -Vm 0
MgF2(cr)
MgF2 = 1.000Mg+2 + 2.000F-
log_k -9.220
delta_h -13.500 #kJ/mol
# Enthalpy of formation: -1124.2 #kJ/mol #92GRE/FUG
-analytic -1.15851E+1 0E+0 7.05153E+2 0E+0 0E+0
# -Vm 0
MgI2(s)
MgI2 = 1.000Mg+2 + 2.000I-
log_k 35.000 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.5E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
MgMoO4(s)
MgMoO4 = 1.000Mg+2 + 1.000MoO4-2
log_k -0.640
delta_h -62.966 #kJ/mol
# Enthalpy of formation: -1401.033 #kJ/mol
-analytic -1.16712E+1 0E+0 3.28894E+3 0E+0 0E+0
# -Vm 0
Microcline
KAlSi3O8 = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O
log_k 0.050
delta_h -56.462 #kJ/mol
# Enthalpy of formation: -3974.34 #kJ/mol #99ARN/STE
-analytic -9.8417E+0 0E+0 2.94921E+3 0E+0 0E+0
-Vm 108.74
Millerite
NiS = 1.000Ni+2 - 1.000H+ + 1.000HS-
log_k -10.130
delta_h 22.688 #kJ/mol
# Enthalpy of formation: -94 #kJ/mol #05GAM/BUG
-analytic -6.15524E+0 0E+0 -1.18508E+3 0E+0 0E+0
# -Vm 0
Minium
Pb3O4 = 3.000Pb+2 - 8.000H+ - 2.000e- + 4.000H2O
log_k 73.530
delta_h -421.874 #kJ/mol
# Enthalpy of formation: -718.686 #kJ/mol #98CHA
-analytic -3.79044E-1 0E+0 2.2036E+4 0E+0 0E+0
# -Vm 0
Minnesotaite
Fe3Si4O10(OH)2 = 3.000Fe+2 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
log_k 14.920
delta_h -148.466 #kJ/mol
# Enthalpy of formation: -4822.99 #kJ/mol #83MIY/KLE
-analytic -1.10901E+1 0E+0 7.75491E+3 0E+0 0E+0
-Vm 148.5
Mirabilite
Na2SO4:10H2O = 2.000Na+ + 1.000SO4-2 + 10.000H2O
log_k -1.230 #84HAR/MOL
delta_h 79.471 #kJ/mol
# Enthalpy of formation: -4327.788 #kJ/mol
-analytic 1.26927E+1 0E+0 -4.15105E+3 0E+0 0E+0
# -Vm 0
Mn(H2SiO4)(s)
Mn(H2SiO4) = 1.000Mn+2 - 2.000H+ + 1.000H4(SiO4)
log_k 12.440 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.244E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Mn(HPO4)(s)
Mn(HPO4) = 1.000Mn+2 - 1.000H+ + 1.000H2(PO4)-
log_k -5.740 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.74E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Mn(SO4)(s)
Mn(SO4) = 1.000Mn+2 + 1.000SO4-2
log_k -2.680 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.68E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Mn(SeO3):2H2O(cr)
Mn(SeO3):2H2O = 1.000Mn+2 + 1.000SeO3-2 + 2.000H2O
log_k -7.600 #05OLI/NOL
delta_h -18.920 #kJ/mol
# Enthalpy of formation: -1280.7 #kJ/mol #05OLI/NOL
-analytic -1.09146E+1 0E+0 9.88259E+2 0E+0 0E+0
# -Vm 0
Mn(cr)
Mn = 1.000Mn+2 + 2.000e-
log_k 39.990
delta_h -220.800 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #82WAG/EVA in 05OLI/NOL
-analytic 1.30756E+0 0E+0 1.15332E+4 0E+0 0E+0
# -Vm 0
Mn2(Pyrophos)(s)
Mn2(Pyrophos) = 2.000Mn+2 + 1.000Pyrophos-4
log_k -19.500 #88CHA/NEW
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.95E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Mn3(PO4)2(s)
Mn3(PO4)2 = 3.000Mn+2 - 4.000H+ + 2.000H2(PO4)-
log_k 15.320 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.532E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Mn3(PO4)2:3H2O(s)
Mn3(PO4)2:3H2O = 3.000Mn+2 - 4.000H+ + 2.000H2(PO4)- + 3.000H2O
log_k 2.320 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.32E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
MnCl2:2H2O(s)
MnCl2:2H2O = 1.000Mn+2 + 2.000Cl- + 2.000H2O
log_k 3.980 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.98E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
MnCl2:4H2O(s)
MnCl2:4H2O = 1.000Mn+2 + 2.000Cl- + 4.000H2O
log_k 2.710 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.71E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
MnCl2:H2O(s)
MnCl2:H2O = 1.000Mn+2 + 2.000Cl- + 1.000H2O
log_k 5.530 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.53E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
MnO(s)
MnO = 1.000Mn+2 - 2.000H+ + 1.000H2O
log_k 17.900 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.79E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
MnO2(s)
MnO2 = 1.000Mn+2 - 4.000H+ - 2.000e- + 2.000H2O
log_k 42.000 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.2E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
MnSe(alfa)
MnSe = 1.000Mn+2 - 1.000H+ + 1.000HSe-
log_k 0.330
delta_h -28.579 #kJ/mol
# Enthalpy of formation: -177.921 #kJ/mol
-analytic -4.67682E+0 0E+0 1.49278E+3 0E+0 0E+0
# -Vm 0
MnSe2(cr)
MnSe2 = 1.000Mn+2 - 2.000H+ - 2.000e- + 2.000HSe-
log_k -8.120
delta_h -11.700 #kJ/mol
# Enthalpy of formation: -180.5 #kJ/mol #05OLI/NOL
-analytic -1.01697E+1 0E+0 6.11133E+2 0E+0 0E+0
# -Vm 0
Mo(cr)
Mo = 8.000H+ + 6.000e- + 1.000MoO4-2 - 4.000H2O
log_k -19.580
delta_h 146.320 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #82WAG/EVA
-analytic 6.05413E+0 0E+0 -7.64281E+3 0E+0 0E+0
# -Vm 0
Mo3O8(s)
Mo3O8 = 8.000H+ + 2.000e- + 3.000MoO4-2 - 4.000H2O
log_k -63.560
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.356E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
MoO2(s)
MoO2 = 4.000H+ + 2.000e- + 1.000MoO4-2 - 2.000H2O
log_k -29.880
delta_h 162.510 #kJ/mol
# Enthalpy of formation: -587.851 #kJ/mol
-analytic -1.40951E+0 0E+0 -8.48848E+3 0E+0 0E+0
# -Vm 0
MoO3(s)
MoO3 = 2.000H+ + 1.000MoO4-2 - 1.000H2O
log_k -11.980
delta_h 34.001 #kJ/mol
# Enthalpy of formation: -745.171 #kJ/mol
-analytic -6.02329E+0 0E+0 -1.77599E+3 0E+0 0E+0
# -Vm 0
MoS2(s)
MoS2 = 6.000H+ + 2.000e- + 2.000HS- + 1.000MoO4-2 - 4.000H2O
log_k -69.910
delta_h 385.522 #kJ/mol
# Enthalpy of formation: -271.804 #kJ/mol
-analytic -2.36954E+0 0E+0 -2.01372E+4 0E+0 0E+0
# -Vm 0
MoS3(s)
MoS3 = 5.000H+ + 3.000HS- + 1.000MoO4-2 - 4.000H2O
log_k -68.070
delta_h 354.847 #kJ/mol
# Enthalpy of formation: -257.429 #kJ/mol
-analytic -5.90357E+0 0E+0 -1.85349E+4 0E+0 0E+0
# -Vm 0
Monocarboaluminate
(CaO)3Al2O3:CaCO3:10.68H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000CO3-2 + 16.680H2O
log_k 70.300 #95DAM/GLA
delta_h -515.924 #kJ/mol
# Enthalpy of formation: -8175.75 #kJ/mol #10BLA/BOU2
-analytic -2.00859E+1 0E+0 2.69485E+4 0E+0 0E+0
-Vm 261.96
Monosulfate-Fe
Ca4Fe2(SO4)(OH)12:6H2O = 4.000Ca+2 + 2.000Fe+3 - 12.000H+ + 1.000SO4-2 + 18.000H2O
log_k 66.050 #10BLA/BOU2
delta_h -477.605 #kJ/mol
# Enthalpy of formation: -7846.668 #kJ/mol
-analytic -1.76227E+1 0E+0 2.4947E+4 0E+0 0E+0
-Vm 316.06
Monosulfoaluminate
Ca4Al2(SO4)(OH)12:6H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000SO4-2 + 18.000H2O
log_k 73.070 #10BLA/BOU2
delta_h -539.400 #kJ/mol
# Enthalpy of formation: -8763.68 #kJ/mol #10BLA/BOU2
-analytic -2.14287E+1 0E+0 2.81748E+4 0E+0 0E+0
-Vm 311.26
Montmorillonite-BCCa
Ca0.17Mg0.34Al1.66Si4O10(OH)2 = 0.170Ca+2 + 0.340Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
log_k 4.200
delta_h -156.000 #kJ/mol
# Enthalpy of formation: -5690.29 #kJ/mol #15BLA/VIE
-analytic -2.313E+1 0E+0 8.14844E+3 0E+0 0E+0
-Vm 135.58
Montmorillonite-BCK
K0.34Mg0.34Al1.66Si4O10(OH)2 = 0.340Mg+2 + 0.340K+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
log_k 2.810
delta_h -136.198 #kJ/mol
# Enthalpy of formation: -5703.51 #kJ/mol #15BLA/VIE
-analytic -2.10508E+1 0E+0 7.11411E+3 0E+0 0E+0
-Vm 134.69
Montmorillonite-BCMg
Mg0.17Mg0.34Al1.66Si4O10(OH)2 = 0.510Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
log_k 3.690
delta_h -157.360 #kJ/mol
# Enthalpy of formation: -5676.01 #kJ/mol #15BLA/VIE
-analytic -2.38782E+1 0E+0 8.21947E+3 0E+0 0E+0
-Vm 131.58
Montmorillonite-BCNa
Na0.34Mg0.34Al1.66Si4O10(OH)2 = 0.340Mg+2 + 0.340Na+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
log_k 3.390
delta_h -145.286 #kJ/mol
# Enthalpy of formation: -5690.41 #kJ/mol #15BLA/VIE
-analytic -2.2063E+1 0E+0 7.58881E+3 0E+0 0E+0
-Vm 133.96
Montmorillonite-HCCa
Ca0.3Mg0.6Al1.4Si4O10(OH)2 = 0.300Ca+2 + 0.600Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
log_k 6.890
delta_h -163.896 #kJ/mol
# Enthalpy of formation: -5734.42 #kJ/mol #15BLA/VIE
-analytic -2.18233E+1 0E+0 8.56087E+3 0E+0 0E+0
-Vm 140.32
Montmorillonite-HCK
K0.6Mg0.6Al1.4Si4O10(OH)2 = 0.600Mg+2 + 0.600K+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
log_k 4.430
delta_h -128.960 #kJ/mol
# Enthalpy of formation: -5757.74 #kJ/mol #15BLA/VIE
-analytic -1.81628E+1 0E+0 6.73604E+3 0E+0 0E+0
-Vm 138.75
Montmorillonite-HCMg
Mg0.3Mg0.6Al1.4Si4O10(OH)2 = 0.900Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
log_k 5.980
delta_h -166.296 #kJ/mol
# Enthalpy of formation: -5709.22 #kJ/mol #15BLA/VIE
-analytic -2.31538E+1 0E+0 8.68623E+3 0E+0 0E+0
-Vm 133.27
Montmorillonite-HCNa
Na0.6Mg0.6Al1.4Si4O10(OH)2 = 0.600Mg+2 + 0.600Na+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
log_k 5.450
delta_h -144.990 #kJ/mol
# Enthalpy of formation: -5734.63 #kJ/mol #15BLA/VIE
-analytic -1.99511E+1 0E+0 7.57334E+3 0E+0 0E+0
-Vm 137.47
Mordenite_Ca
Ca0.515Al1.03Si4.97O12:3.1H2O = 0.515Ca+2 + 1.030Al+3 - 4.120H+ + 4.970H4(SiO4) - 4.780H2O
log_k -2.920 #09BLA
delta_h -74.732 #kJ/mol
# Enthalpy of formation: -6655.334 #kJ/mol
-analytic -1.60125E+1 0E+0 3.90352E+3 0E+0 0E+0
-Vm 209.8
Mordenite_Oregon
Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O = 0.289Ca+2 + 0.362Na+ + 0.940Al+3 - 3.760H+ + 5.060H4(SiO4) - 4.772H2O
log_k -4.180
delta_h -41.247 #kJ/mol
# Enthalpy of formation: -6738.44 #kJ/mol #92JOH/TAS
-analytic -1.14062E+1 0E+0 2.15448E+3 0E+0 0E+0
-Vm 212.4
Muscovite
KAl3Si3O10(OH)2 = 1.000K+ + 3.000Al+3 - 10.000H+ + 3.000H4(SiO4)
log_k 13.020
delta_h -276.122 #kJ/mol
# Enthalpy of formation: -5974.8 #kJ/mol #95HAS/CYG
-analytic -3.53544E+1 0E+0 1.44228E+4 0E+0 0E+0
-Vm 140.81
Na(NO3)(s)
Na(NO3) = 1.000Na+ + 1.000NO3-
log_k 1.090 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.09E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Na(TcO4):4H2O(s)
Na(TcO4):4H2O = 1.000Na+ + 1.000TcO4- + 4.000H2O
log_k 0.790 #99RAR/RAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 7.9E-1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Na(cr)
Na = 1.000Na+ + 1.000e-
log_k 45.890
delta_h -240.340 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #92GRE/FUG (89COX/WAG)
-analytic 3.7843E+0 0E+0 1.25538E+4 0E+0 0E+0
# -Vm 0
Na2(CO3)(cr)
Na2(CO3) = 2.000Na+ + 1.000CO3-2
log_k 1.120
delta_h -26.710 #kJ/mol
# Enthalpy of formation: -1129.2 #kJ/mol #95ROB/HEM
-analytic -3.55938E+0 0E+0 1.39516E+3 0E+0 0E+0
# -Vm 0
Na2B4O7(cr)
Na2B4O7 = 2.000Na+ + 2.000H+ + 4.000B(OH)4- - 9.000H2O
log_k -16.060
delta_h 2.520 #kJ/mol
# Enthalpy of formation: -3291.196 #kJ/mol
-analytic -1.56185E+1 0E+0 -1.31629E+2 0E+0 0E+0
# -Vm 0
Na2B4O7:10H2O(s)
Na2B4O7:10H2O = 2.000Na+ + 2.000H+ + 4.000B(OH)4- + 1.000H2O
log_k -24.580
delta_h 141.471 #kJ/mol
# Enthalpy of formation: -6288.445 #kJ/mol
-analytic 2.04619E-1 0E+0 -7.38953E+3 0E+0 0E+0
# -Vm 0
Na2CO3:7H2O(s)
Na2CO3:7H2O = 2.000Na+ + 1.000CO3-2 + 7.000H2O
log_k -0.460 #84HAR/MOL
delta_h 42.682 #kJ/mol
# Enthalpy of formation: -3199.4 #kJ/mol
-analytic 7.01755E+0 0E+0 -2.22943E+3 0E+0 0E+0
# -Vm 0
Na2HPO4(cr)
Na2HPO4 = 2.000Na+ - 1.000H+ + 1.000H2(PO4)-
log_k 9.240
delta_h -35.180 #kJ/mol
# Enthalpy of formation: -1748.1 #kJ/mol #82WAG/EVA
-analytic 3.07674E+0 0E+0 1.83758E+3 0E+0 0E+0
# -Vm 0
Na2O(cr)
Na2O = 2.000Na+ - 2.000H+ + 1.000H2O
log_k 67.460
delta_h -351.710 #kJ/mol
# Enthalpy of formation: -414.8 #kJ/mol #95ROB/HEM
-analytic 5.84314E+0 0E+0 1.83711E+4 0E+0 0E+0
# -Vm 0
Na2ZrSi2O7(cr)
Na2ZrSi2O7 = 2.000Na+ - 6.000H+ + 2.000H4(SiO4) + 1.000Zr+4 - 1.000H2O
log_k 3.740
delta_h -119.738 #kJ/mol
# Enthalpy of formation: -3606 #kJ/mol #05BRO/CUR
-analytic -1.72372E+1 0E+0 6.25434E+3 0E+0 0E+0
# -Vm 0
Na2ZrSi3O9:2H2O(cr)
Na2ZrSi3O9:2H2O = 2.000Na+ - 6.000H+ + 3.000H4(SiO4) + 1.000Zr+4 - 1.000H2O
log_k 15.580
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.558E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Na2ZrSi4O11(cr)
Na2ZrSi4O11 = 2.000Na+ - 6.000H+ + 4.000H4(SiO4) + 1.000Zr+4 - 5.000H2O
log_k -13.560
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.356E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Na2ZrSi6O15:3H2O(cr)
Na2ZrSi6O15:3H2O = 2.000Na+ - 6.000H+ + 6.000H4(SiO4) + 1.000Zr+4 - 6.000H2O
log_k 16.460
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.646E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Na2ZrSiO5(cr)
Na2ZrSiO5 = 2.000Na+ - 6.000H+ + 1.000H4(SiO4) + 1.000Zr+4 + 1.000H2O
log_k 13.190
delta_h -166.204 #kJ/mol
# Enthalpy of formation: -2670 #kJ/mol #05BRO/CUR
-analytic -1.59276E+1 0E+0 8.68143E+3 0E+0 0E+0
# -Vm 0
Na3PO4(cr)
Na3PO4 = 3.000Na+ - 2.000H+ + 1.000H2(PO4)-
log_k 23.520
delta_h -106.218 #kJ/mol
# Enthalpy of formation: -1917.402 #kJ/mol #74NAU/RYZ
-analytic 4.91143E+0 0E+0 5.54814E+3 0E+0 0E+0
# -Vm 0
Na4Zr2Si3O12(cr)
Na4Zr2Si3O12 = 4.000Na+ - 12.000H+ + 3.000H4(SiO4) + 2.000Zr+4
log_k 15.500
delta_h -276.942 #kJ/mol
# Enthalpy of formation: -6285 #kJ/mol #05BRO/CUR
-analytic -3.30181E+1 0E+0 1.44657E+4 0E+0 0E+0
# -Vm 0
Na6Th(CO3)5:12H2O(cr)
Na6Th(CO3)5:12H2O = 6.000Na+ + 1.000Th+4 + 5.000CO3-2 + 12.000H2O
log_k -42.200 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.22E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
NaAmO2CO3(s)
NaAmO2CO3 = 1.000Na+ + 1.000AmO2+ + 1.000CO3-2
log_k -10.900 #94GIF, 94RUN/KIM, 96RUN/NEU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.09E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
NaBO2(s)
NaBO2 = 1.000Na+ + 1.000B(OH)4- - 2.000H2O
log_k 3.620
delta_h -36.793 #kJ/mol
# Enthalpy of formation: -977.003 #kJ/mol
-analytic -2.82585E+0 0E+0 1.92183E+3 0E+0 0E+0
# -Vm 0
NaCm(CO3)2:5H2O(s)
NaCm(CO3)2:5H2O = 1.000Na+ + 2.000CO3-2 + 1.000Cm+3 + 5.000H2O
log_k -21.000 #estimated by correlation with Ln(III) and An(III)
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
NaEu(CO3)2:5H2O(s)
NaEu(CO3)2:5H2O = 1.000Na+ + 1.000Eu+3 + 2.000CO3-2 + 5.000H2O
log_k -20.900 #05VER/VIT2
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.09E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
NaF(s)
NaF = 1.000Na+ + 1.000F-
log_k -0.480 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.8E-1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
NaH2PO4(cr)
NaH2PO4 = 1.000Na+ + 1.000H2(PO4)-
log_k 2.300
delta_h -6.140 #kJ/mol
# Enthalpy of formation: -1536.8 #kJ/mol #82WAG/EVA
-analytic 1.22432E+0 0E+0 3.20714E+2 0E+0 0E+0
# -Vm 0
NaHo(CO3)2:5H2O(s)
NaHo(CO3)2:5H2O = 1.000Na+ + 1.000Ho+3 + 2.000CO3-2 + 5.000H2O
log_k -20.500 #Estimated by ionic radii correlation
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.05E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
NaNbO3(s)
NaNbO3 = 1.000Na+ + 1.000Nb(OH)6- - 3.000H2O
log_k -3.660
delta_h 7.497 #kJ/mol
# Enthalpy of formation: -1316.013 #kJ/mol
-analytic -2.34658E+0 0E+0 -3.91595E+2 0E+0 0E+0
# -Vm 0
NaSm(CO3)2:5H2O(s)
NaSm(CO3)2:5H2O = 1.000Na+ + 1.000Sm+3 + 2.000CO3-2 + 5.000H2O
log_k -20.990 #Estimated by ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.099E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Nahcolite
Na(HCO3) = 1.000Na+ + 1.000H+ + 1.000CO3-2
log_k -10.740 #84HAR/MOL
delta_h 33.430 #kJ/mol
# Enthalpy of formation: -949 #kJ/mol #82VAN
-analytic -4.88332E+0 0E+0 -1.74617E+3 0E+0 0E+0
# -Vm 0
Natrolite
Na2(Al2Si3)O10:2H2O = 2.000Na+ + 2.000Al+3 - 8.000H+ + 3.000H4(SiO4)
log_k 19.310
delta_h -222.462 #kJ/mol
# Enthalpy of formation: -5718.6 #kJ/mol #83JOH/FLO
-analytic -1.96636E+1 0E+0 1.162E+4 0E+0 0E+0
-Vm 169.2
Natron
Na2(CO3):10H2O = 2.000Na+ + 1.000CO3-2 + 10.000H2O
log_k -0.830 #84HAR/MOL
delta_h 64.870 #kJ/mol
# Enthalpy of formation: -4079.078 #kJ/mol
-analytic 1.05347E+1 0E+0 -3.38839E+3 0E+0 0E+0
# -Vm 0
Nb(cr)
Nb = 6.000H+ + 1.000Nb(OH)6- + 5.000e- - 6.000H2O
log_k 41.820
delta_h -210.685 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #82WAG/EVA
-analytic 4.90963E+0 0E+0 1.10048E+4 0E+0 0E+0
# -Vm 0
Nb2O5(s)
Nb2O5 = 2.000H+ + 2.000Nb(OH)6- - 7.000H2O
log_k -28.380 #97PEI/NGU
delta_h 52.400 #kJ/mol #97PEI/NGU
# Enthalpy of formation: -1902.92 #kJ/mol
-analytic -1.91999E+1 0E+0 -2.73704E+3 0E+0 0E+0
# -Vm 0
Nesquehonite
Mg(CO3):3H2O = 1.000Mg+2 + 1.000CO3-2 + 3.000H2O
log_k -5.100
delta_h -22.420 #kJ/mol
# Enthalpy of formation: -1977.3 #kJ/mol #73ROB/HEM
-analytic -9.02781E+0 0E+0 1.17108E+3 0E+0 0E+0
# -Vm 0
Ni(BO2)2(s)
Ni(BO2)2 = 1.000Ni+2 + 2.000B(OH)4- - 4.000H2O
log_k -8.700 #92PEA/BER
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -8.7E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ni(CO3)(cr)
Ni(CO3) = 1.000Ni+2 + 1.000CO3-2
log_k -10.990
delta_h -16.922 #kJ/mol
# Enthalpy of formation: -713.32 #kJ/mol
-analytic -1.39546E+1 0E+0 8.83896E+2 0E+0 0E+0
# -Vm 0
Ni(CO3):5.5H2O(cr)
Ni(CO3):5.5H2O = 1.000Ni+2 + 1.000CO3-2 + 5.500H2O
log_k -7.520
delta_h 10.687 #kJ/mol
# Enthalpy of formation: -2312.992 #kJ/mol
-analytic -5.64772E+0 0E+0 -5.5822E+2 0E+0 0E+0
# -Vm 0
Ni(IO3)2(beta)
Ni(IO3)2 = 1.000Ni+2 + 2.000IO3-
log_k -4.430
delta_h -7.300 #kJ/mol #05GAM/BUG
# Enthalpy of formation: -487.112 #kJ/mol
-analytic -5.7089E+0 0E+0 3.81305E+2 0E+0 0E+0
# -Vm 0
Ni(IO3)2:2H2O(cr)
Ni(IO3)2:2H2O = 1.000Ni+2 + 2.000IO3- + 2.000H2O
log_k -5.140
delta_h 21.600 #kJ/mol #05GAM/BUG
# Enthalpy of formation: -1087.672 #kJ/mol
-analytic -1.35585E+0 0E+0 -1.12824E+3 0E+0 0E+0
# -Vm 0
Ni(OH)2(s)
Ni(OH)2 = 1.000Ni+2 - 2.000H+ + 2.000H2O
log_k 11.030
delta_h -84.389 #kJ/mol
# Enthalpy of formation: -542.282 #kJ/mol
-analytic -3.7543E+0 0E+0 4.40794E+3 0E+0 0E+0
# -Vm 0
Ni(SO4)(cr)
Ni(SO4) = 1.000Ni+2 + 1.000SO4-2
log_k 4.750
delta_h -91.072 #kJ/mol
# Enthalpy of formation: -873.28 #kJ/mol #05GAM/BUG
-analytic -1.12051E+1 0E+0 4.75701E+3 0E+0 0E+0
# -Vm 0
Ni(SO4):6H2O(s)
Ni(SO4):6H2O = 1.000Ni+2 + 1.000SO4-2 + 6.000H2O
log_k -2.250
delta_h 4.485 #kJ/mol
# Enthalpy of formation: -2683.817 #kJ/mol #05GAM/BUG
-analytic -1.46426E+0 0E+0 -2.34268E+2 0E+0 0E+0
# -Vm 0
Ni(SO4):7H2O(s)
Ni(SO4):7H2O = 1.000Ni+2 + 1.000SO4-2 + 7.000H2O
log_k -2.270
delta_h 12.167 #kJ/mol #05GAM/BUG
# Enthalpy of formation: -2977.329 #kJ/mol
-analytic -1.38436E-1 0E+0 -6.35526E+2 0E+0 0E+0
# -Vm 0
Ni(SeO3):2H2O(cr)
Ni(SeO3):2H2O = 1.000Ni+2 + 1.000SeO3-2 + 2.000H2O
log_k -5.800 #05OLI/NOL
delta_h -24.502 #kJ/mol
# Enthalpy of formation: -1109.33 #kJ/mol #05OLI/NOL
-analytic -1.00926E+1 0E+0 1.27983E+3 0E+0 0E+0
# -Vm 0
Ni(SeO4):6H2O(s)
Ni(SeO4):6H2O = 1.000Ni+2 + 1.000SeO4-2 + 6.000H2O
log_k -1.380 #05OLI/NOL
delta_h -3.791 #kJ/mol
# Enthalpy of formation: -2369.699 #kJ/mol
-analytic -2.04415E+0 0E+0 1.98017E+2 0E+0 0E+0
# -Vm 0
Ni(SiO3)(s)
Ni(SiO3) = 1.000Ni+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O
log_k -1.780
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ni(cr)
Ni = 1.000Ni+2 + 2.000e-
log_k 8.020
delta_h -55.012 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #05GAM/BUG
-analytic -1.61767E+0 0E+0 2.87347E+3 0E+0 0E+0
# -Vm 0
Ni0.88Se(cr)
Ni0.88Se = 0.880Ni+2 - 1.000H+ - 0.240e- + 1.000HSe-
log_k -12.760
delta_h 35.689 #kJ/mol
# Enthalpy of formation: -69.8 #kJ/mol #05OLI/NOL
-analytic -6.50756E+0 0E+0 -1.86416E+3 0E+0 0E+0
# -Vm 0
Ni11As8(cr)
Ni11As8 = 11.000Ni+2 + 64.000H+ + 62.000e- + 8.000AsO4-3 - 32.000H2O
log_k -457.930
delta_h 2179.308 #kJ/mol
# Enthalpy of formation: -743 #kJ/mol #05GAM/BUG
-analytic -7.61322E+1 0E+0 -1.13833E+5 0E+0 0E+0
# -Vm 0
Ni2(Pyrophos)(cr)
Ni2(Pyrophos) = 2.000Ni+2 + 1.000Pyrophos-4
log_k -9.820
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -9.82E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ni3(AsO3)2(s)
Ni3(AsO3)2 = 3.000Ni+2 + 4.000H+ + 4.000e- + 2.000AsO4-3 - 2.000H2O
log_k -51.480
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.148E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Ni3(AsO4)2:8H2O(s)
Ni3(AsO4)2:8H2O = 3.000Ni+2 + 2.000AsO4-3 + 8.000H2O
log_k -28.100 #05GAM/BUG
delta_h -48.956 #kJ/mol
# Enthalpy of formation: -4179 #kJ/mol #05GAM/BUG
-analytic -3.66767E+1 0E+0 2.55715E+3 0E+0 0E+0
# -Vm 0
Ni3(PO4)2(cr)
Ni3(PO4)2 = 3.000Ni+2 - 4.000H+ + 2.000H2(PO4)-
log_k 10.250
delta_h -188.236 #kJ/mol
# Enthalpy of formation: -2582 #kJ/mol #89BAE/McK
-analytic -2.27275E+1 0E+0 9.83224E+3 0E+0 0E+0
# -Vm 0
Ni3O4(s)
Ni3O4 = 3.000Ni+2 - 8.000H+ - 2.000e- + 4.000H2O
log_k 65.500
delta_h -489.045 #kJ/mol
# Enthalpy of formation: -819.308 #kJ/mol
-analytic -2.01769E+1 0E+0 2.55446E+4 0E+0 0E+0
# -Vm 0
Ni5As2(cr)
Ni5As2 = 5.000Ni+2 + 16.000H+ + 20.000e- + 2.000AsO4-3 - 8.000H2O
log_k -106.730
delta_h 479.960 #kJ/mol
# Enthalpy of formation: -244.66 #kJ/mol #05GAM/BUG
-analytic -2.26447E+1 0E+0 -2.507E+4 0E+0 0E+0
# -Vm 0
NiAs(cr)
NiAs = 1.000Ni+2 + 8.000H+ + 7.000e- + 1.000AsO4-3 - 4.000H2O
log_k -56.240
delta_h 270.988 #kJ/mol
# Enthalpy of formation: -70.82 #kJ/mol #05GAM/BUG
-analytic -8.76501E+0 0E+0 -1.41547E+4 0E+0 0E+0
# -Vm 0
NiBr2(s)
NiBr2 = 1.000Ni+2 + 2.000Br-
log_k 10.170
delta_h -84.332 #kJ/mol
# Enthalpy of formation: -213.5 #kJ/mol #05GAM/BUG
-analytic -4.60431E+0 0E+0 4.40496E+3 0E+0 0E+0
# -Vm 0
NiCl2(s)
NiCl2 = 1.000Ni+2 + 2.000Cl-
log_k 8.670
delta_h -84.272 #kJ/mol
# Enthalpy of formation: -304.9 #kJ/mol #05GAM/BUG
-analytic -6.0938E+0 0E+0 4.40183E+3 0E+0 0E+0
# -Vm 0
NiCl2:2H2O(s)
NiCl2:2H2O = 1.000Ni+2 + 2.000Cl- + 2.000H2O
log_k 4.920
delta_h -47.458 #kJ/mol
# Enthalpy of formation: -913.372 #kJ/mol
-analytic -3.39427E+0 0E+0 2.4789E+3 0E+0 0E+0
# -Vm 0
NiCl2:4H2O(s)
NiCl2:4H2O = 1.000Ni+2 + 2.000Cl- + 4.000H2O
log_k 3.820
delta_h -18.444 #kJ/mol #05GAM/BUG
# Enthalpy of formation: -1514.048 #kJ/mol
-analytic 5.88755E-1 0E+0 9.63396E+2 0E+0 0E+0
# -Vm 0
NiCl2:6H2O(s)
NiCl2:6H2O = 1.000Ni+2 + 2.000Cl- + 6.000H2O
log_k 3.040
delta_h 0.548 #kJ/mol
# Enthalpy of formation: -2104.7 #kJ/mol #05GAM/BUG
-analytic 3.13601E+0 0E+0 -2.8624E+1 0E+0 0E+0
# -Vm 0
NiF2(s)
NiF2 = 1.000Ni+2 + 2.000F-
log_k -0.180
delta_h -68.412 #kJ/mol
# Enthalpy of formation: -657.3 #kJ/mol #05GAM/BUG
-analytic -1.21653E+1 0E+0 3.5734E+3 0E+0 0E+0
# -Vm 0
NiI2(s)
NiI2 = 1.000Ni+2 + 2.000I-
log_k 9.610
delta_h -72.152 #kJ/mol
# Enthalpy of formation: -96.42 #kJ/mol #05GAM/BUG
-analytic -3.03047E+0 0E+0 3.76876E+3 0E+0 0E+0
# -Vm 0
NiSe2(cr)
NiSe2 = 1.000Ni+2 - 2.000H+ - 2.000e- + 2.000HSe-
log_k -26.900
delta_h 89.088 #kJ/mol
# Enthalpy of formation: -115.5 #kJ/mol #05OLI/NOL
-analytic -1.12925E+1 0E+0 -4.65338E+3 0E+0 0E+0
# -Vm 0
Nontronite-Ca
Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.170Ca+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
log_k -2.820
delta_h -145.927 #kJ/mol
# Enthalpy of formation: -4982.32 #kJ/mol #15BLA/VIE
-analytic -2.83853E+1 0E+0 7.62229E+3 0E+0 0E+0
-Vm 133.74
Nontronite-K
K0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.340K+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
log_k -3.990
delta_h -127.394 #kJ/mol
# Enthalpy of formation: -4994.27 #kJ/mol #15BLA/VIE
-analytic -2.63084E+1 0E+0 6.65424E+3 0E+0 0E+0
-Vm 132.85
Nontronite-Mg
Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.170Mg+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
log_k -3.370
delta_h -147.107 #kJ/mol
# Enthalpy of formation: -4968.22 #kJ/mol #15BLA/VIE
-analytic -2.9142E+1 0E+0 7.68392E+3 0E+0 0E+0
-Vm 129.74
Nontronite-Na
Na0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.340Na+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
log_k -3.500
delta_h -136.012 #kJ/mol
# Enthalpy of formation: -4981.64 #kJ/mol #15BLA/VIE
-analytic -2.73282E+1 0E+0 7.10439E+3 0E+0 0E+0
-Vm 132.12
Nontronite_Nau-2
Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 = 0.247Ca+2 + 0.068Mg+2 + 0.020K+ + 1.688Fe+3 + 0.818Al+3 - 8.168H+ + 3.458H4(SiO4) - 1.832H2O
log_k 1.330
delta_h -187.521 #kJ/mol
# Enthalpy of formation: -5035.69 #kJ/mol #13GAI/BLA
-analytic -3.15222E+1 0E+0 9.79489E+3 0E+0 0E+0
-Vm 136.38
Np(CO3)(OH)(s)
Np(CO3)(OH) = 1.000Np+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O
log_k -6.060 #Estimated by correlation with An(III) in function of ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.06E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Np(HPO4)2(s)
Np(HPO4)2 = 1.000Np+4 - 2.000H+ + 2.000H2(PO4)-
log_k -16.060 #Estimated by correlation with An(III) in function of ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.606E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Np(OH)3(s)
Np(OH)3 = 1.000Np+3 - 3.000H+ + 3.000H2O
log_k 18.000 #80ALL/KIP
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.8E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Np(cr)
Np = 1.000Np+3 + 3.000e-
log_k 89.850
delta_h -527.184 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #01LEM/FUG
-analytic -2.50854E+0 0E+0 2.75367E+4 0E+0 0E+0
# -Vm 0
Np2O5(cr)
Np2O5 = 2.000NpO2+ - 2.000H+ + 1.000H2O
log_k 3.700
delta_h -79.492 #kJ/mol
# Enthalpy of formation: -2162.7 #kJ/mol #01LEM/FUG
-analytic -1.02264E+1 0E+0 4.15215E+3 0E+0 0E+0
# -Vm 0
NpO2(CO3)(s)
NpO2(CO3) = 1.000NpO2+2 + 1.000CO3-2
log_k -14.600 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.46E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
NpO2(CO3)2Na3(s)
NpO2(CO3)2Na3 = 3.000Na+ + 1.000NpO2+ + 2.000CO3-2
log_k -14.220 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.422E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
NpO2(CO3)Na:3.5H2O(s)
NpO2(CO3)Na:3.5H2O = 1.000Na+ + 1.000NpO2+ + 1.000CO3-2 + 3.500H2O
log_k -11.000 #03GUI/FAN
delta_h 30.997 #kJ/mol
# Enthalpy of formation: -2925.152 #kJ/mol
-analytic -5.56957E+0 0E+0 -1.61908E+3 0E+0 0E+0
# -Vm 0
NpO2(NH4)4(CO3)3(s)
NpO2(NH4)4(CO3)3 = 1.000NpO2+2 + 4.000H+ + 3.000CO3-2 + 4.000NH3
log_k -26.810 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.681E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
NpO2(s)
NpO2 = 1.000Np+4 - 4.000H+ + 2.000H2O
log_k -9.650
delta_h -53.682 #kJ/mol
# Enthalpy of formation: -1074 #kJ/mol #01LEM/FUG
-analytic -1.90547E+1 0E+0 2.804E+3 0E+0 0E+0
# -Vm 0
NpO2:2H2O(am)
NpO2:2H2O = 1.000Np+4 - 4.000H+ + 4.000H2O
log_k -0.700 #03GUI/FAN
delta_h -80.557 #kJ/mol
# Enthalpy of formation: -1618.784 #kJ/mol
-analytic -1.4813E+1 0E+0 4.20778E+3 0E+0 0E+0
# -Vm 0
NpO2OH(am,aged)
NpO2OH = 1.000NpO2+ - 1.000H+ + 1.000H2O
log_k 4.700 #01LEM/FUG
delta_h -41.111 #kJ/mol
# Enthalpy of formation: -1222.9 #kJ/mol #01LEM/FUG
-analytic -2.50233E+0 0E+0 2.14737E+3 0E+0 0E+0
# -Vm 0
NpO2OH(am,fresh)
NpO2OH = 1.000NpO2+ - 1.000H+ + 1.000H2O
log_k 5.300 #01LEM/FUG
delta_h -41.111 #kJ/mol
# Enthalpy of formation: -1222.9 #kJ/mol #01LEM/FUG
-analytic -1.90233E+0 0E+0 2.14737E+3 0E+0 0E+0
# -Vm 0
NpO3:H2O(cr)
NpO3:H2O = 1.000NpO2+2 - 2.000H+ + 2.000H2O
log_k 5.470 #01LEM/FUG
delta_h -52.239 #kJ/mol
# Enthalpy of formation: -1380.154 #kJ/mol
-analytic -3.68187E+0 0E+0 2.72863E+3 0E+0 0E+0
# -Vm 0
Okenite
CaSi2O5:2H2O = 1.000Ca+2 - 2.000H+ + 2.000H4(SiO4) - 1.000H2O
log_k 9.180
delta_h -44.388 #kJ/mol
# Enthalpy of formation: -3135.17 #kJ/mol #10BLA/BOU1
-analytic 1.40357E+0 0E+0 2.31854E+3 0E+0 0E+0
-Vm 94.77
Olivine
Ni2(SiO4) = 2.000Ni+2 - 4.000H+ + 1.000H4(SiO4)
log_k 19.680
delta_h -175.218 #kJ/mol
# Enthalpy of formation: -1396 #kJ/mol #05GAM/BUG
-analytic -1.10168E+1 0E+0 9.15226E+3 0E+0 0E+0
# -Vm 0
Orpiment
As2S3 = 13.000H+ + 4.000e- + 3.000HS- + 2.000AsO4-3 - 8.000H2O
log_k -127.460
delta_h 552.680 #kJ/mol
# Enthalpy of formation: -91.223 #kJ/mol
-analytic -3.06348E+1 0E+0 -2.88684E+4 0E+0 0E+0
# -Vm 0
P(cr)
P = 6.000H+ + 5.000e- + 1.000H2(PO4)- - 4.000H2O
log_k 33.040
delta_h -159.280 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic 5.13538E+0 0E+0 8.31976E+3 0E+0 0E+0
# -Vm 0
Pa(cr)
Pa = 4.000e- + 1.000Pa+4
log_k 98.750
delta_h -620.000 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #85BAR/PAR
-analytic -9.86918E+0 0E+0 3.23848E+4 0E+0 0E+0
# -Vm 0
Pa2O5(s)
Pa2O5 = - 2.000H+ + 2.000PaO2+ + 1.000H2O
log_k -4.000 #76BAE/MES
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
PaO2(s)
PaO2 = - 4.000H+ + 1.000Pa+4 + 2.000H2O
log_k 0.600 #76BAE/MES
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6E-1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Paragonite
NaAl3Si3O10(OH)2 = 1.000Na+ + 3.000Al+3 - 10.000H+ + 3.000H4(SiO4)
log_k 16.790
delta_h -301.622 #kJ/mol
# Enthalpy of formation: -5937.5 #kJ/mol #96ROU/HOV
-analytic -3.60518E+1 0E+0 1.57548E+4 0E+0 0E+0
-Vm 132.1
Paralaurionite
PbCl(OH) = 1.000Pb+2 - 1.000H+ + 1.000Cl- + 1.000H2O
log_k 0.620 #99LOT/OCH
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 6.2E-1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Pb(H2PO4)2(cr)
Pb(H2PO4)2 = 1.000Pb+2 + 2.000H2(PO4)-
log_k -9.840 #74NRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -9.84E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Pb(HPO4)(s)
Pb(HPO4) = 1.000Pb+2 - 1.000H+ + 1.000H2(PO4)-
log_k -4.250 #74NRI
delta_h 16.436 #kJ/mol
# Enthalpy of formation: -1318.115 #kJ/mol
-analytic -1.37054E+0 0E+0 -8.58511E+2 0E+0 0E+0
# -Vm 0
Pb(OH)2(s)
Pb(OH)2 = 1.000Pb+2 - 2.000H+ + 2.000H2O
log_k 13.510
delta_h -56.140 #kJ/mol
# Enthalpy of formation: -514.6 #kJ/mol #52LAT
-analytic 3.67471E+0 0E+0 2.93239E+3 0E+0 0E+0
# -Vm 0
Pb(SeO3)(s)
Pb(SeO3) = 1.000Pb+2 + 1.000SeO3-2
log_k -12.500 #05OLI/NOL
delta_h 25.840 #kJ/mol
# Enthalpy of formation: -532.08 #kJ/mol #05OLI/NOL
-analytic -7.97303E+0 0E+0 -1.34972E+3 0E+0 0E+0
# -Vm 0
Pb(SeO4)(s)
Pb(SeO4) = 1.000Pb+2 + 1.000SeO4-2
log_k -6.900 #05OLI/NOL
delta_h 4.720 #kJ/mol #05OLI/NOL
# Enthalpy of formation: -607.3 #kJ/mol
-analytic -6.07309E+0 0E+0 -2.46542E+2 0E+0 0E+0
# -Vm 0
Pb(cr)
Pb = 1.000Pb+2 + 2.000e-
log_k 4.250
delta_h 0.920 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic 4.41118E+0 0E+0 -4.80549E+1 0E+0 0E+0
# -Vm 0
Pb2(SiO4)(s)
Pb2(SiO4) = 2.000Pb+2 - 4.000H+ + 1.000H4(SiO4)
log_k 15.890
delta_h -81.474 #kJ/mol
# Enthalpy of formation: -1377.88 #kJ/mol #98CHA
-analytic 1.61639E+0 0E+0 4.25568E+3 0E+0 0E+0
# -Vm 0
Pb3(AsO4)2(s)
Pb3(AsO4)2 = 3.000Pb+2 + 2.000AsO4-3
log_k -35.400 #74NAU/RYZ
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.54E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Pb3(PO4)2(s)
Pb3(PO4)2 = 3.000Pb+2 - 4.000H+ + 2.000H2(PO4)-
log_k -5.260 #74NRI
delta_h -3.548 #kJ/mol
# Enthalpy of formation: -2598.892 #kJ/mol
-analytic -5.88158E+0 0E+0 1.85325E+2 0E+0 0E+0
# -Vm 0
Pb4O(PO4)2(cr)
Pb4O(PO4)2 = 4.000Pb+2 - 6.000H+ + 2.000H2(PO4)- + 1.000H2O
log_k 2.240 #74NRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.24E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
PbB2O4(s)
PbB2O4 = 1.000Pb+2 + 2.000B(OH)4- - 4.000H2O
log_k -10.870 #91BAL/NOR
delta_h 2.761 #kJ/mol #91BAL/NOR
# Enthalpy of formation: -1548.753 #kJ/mol
-analytic -1.03863E+1 0E+0 -1.44217E+2 0E+0 0E+0
# -Vm 0
PbF2(s)
PbF2 = 1.000Pb+2 + 2.000F-
log_k -7.520 #99LOT/OCH
delta_h 6.530 #kJ/mol
# Enthalpy of formation: -676.309 #kJ/mol
-analytic -6.37599E+0 0E+0 -3.41085E+2 0E+0 0E+0
# -Vm 0
PbI2(cr)
PbI2 = 1.000Pb+2 + 2.000I-
log_k -8.050
delta_h 62.816 #kJ/mol
# Enthalpy of formation: -175.456 #kJ/mol
-analytic 2.95487E+0 0E+0 -3.2811E+3 0E+0 0E+0
# -Vm 0
PbMoO4(s)
PbMoO4 = 1.000Pb+2 + 1.000MoO4-2
log_k -15.800
delta_h 55.795 #kJ/mol
# Enthalpy of formation: -1051.875 #kJ/mol
-analytic -6.02515E+0 0E+0 -2.91437E+3 0E+0 0E+0
# -Vm 0
PbSiO3(Glass)
PbSiO3 = 1.000Pb+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O
log_k 6.600
delta_h -36.814 #kJ/mol
# Enthalpy of formation: -1137.63 #kJ/mol #74NAU/RYZ
-analytic 1.50474E-1 0E+0 1.92293E+3 0E+0 0E+0
# -Vm 0
Pd(OH)2(s)
Pd(OH)2 = - 2.000H+ + 1.000Pd+2 + 2.000H2O
log_k -1.610 #70NAB/KAL
delta_h 13.229 #kJ/mol
# Enthalpy of formation: -395 #kJ/mol #82WAG/EVA
-analytic 7.07618E-1 0E+0 -6.90998E+2 0E+0 0E+0
# -Vm 0
Pd(cr)
Pd = 1.000Pd+2 + 2.000e-
log_k -33.030
delta_h 189.889 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #79ROB/HEM in 98SAS/SHO
-analytic 2.37076E-1 0E+0 -9.91858E+3 0E+0 0E+0
# -Vm 0
PdBr2(cr)
PdBr2 = 1.000Pd+2 + 2.000Br-
log_k -13.310 #89BAE/McK
delta_h 51.269 #kJ/mol
# Enthalpy of formation: -104.2 #kJ/mol #89BAE/McK
-analytic -4.32807E+0 0E+0 -2.67796E+3 0E+0 0E+0
# -Vm 0
PdCl2(cr)
PdCl2 = 1.000Pd+2 + 2.000Cl-
log_k -9.200
delta_h 54.429 #kJ/mol
# Enthalpy of formation: -198.7 #kJ/mol #82WAG/EVA
-analytic 3.35537E-1 0E+0 -2.84302E+3 0E+0 0E+0
# -Vm 0
PdI2(cr)
PdI2 = 1.000Pd+2 + 2.000I-
log_k -25.870
delta_h 139.929 #kJ/mol
# Enthalpy of formation: -63.6 #kJ/mol #89BAE/McK
-analytic -1.35553E+0 0E+0 -7.30899E+3 0E+0 0E+0
# -Vm 0
PdO(s)
PdO = - 2.000H+ + 1.000Pd+2 + 1.000H2O
log_k -6.020
delta_h -10.541 #kJ/mol
# Enthalpy of formation: -85.4 #kJ/mol #82WAG/EVA
-analytic -7.8667E+0 0E+0 5.50594E+2 0E+0 0E+0
# -Vm 0
PdS(s)
PdS = - 1.000H+ + 1.000Pd+2 + 1.000HS-
log_k -46.860
delta_h 244.299 #kJ/mol
# Enthalpy of formation: -70.71 #kJ/mol #74MIL
-analytic -4.06072E+0 0E+0 -1.27606E+4 0E+0 0E+0
# -Vm 0
PdSe(s)
PdSe = - 1.000H+ + 1.000Pd+2 + 1.000HSe-
log_k -49.110
delta_h 254.469 #kJ/mol
# Enthalpy of formation: -50.28 #kJ/mol #74MIL
-analytic -4.52901E+0 0E+0 -1.32918E+4 0E+0 0E+0
# -Vm 0
Pentahydrite
MgSO4:5H2O = 1.000Mg+2 + 1.000SO4-2 + 5.000H2O
log_k -1.280 #80HAR/WEA
delta_h -14.187 #kJ/mol
# Enthalpy of formation: -2791.3 #kJ/mol
-analytic -3.76545E+0 0E+0 7.41038E+2 0E+0 0E+0
# -Vm 0
Periclase
MgO = 1.000Mg+2 - 2.000H+ + 1.000H2O
log_k 21.580
delta_h -151.230 #kJ/mol
# Enthalpy of formation: -601.6 #kJ/mol #89COX/WAG
-analytic -4.91432E+0 0E+0 7.89928E+3 0E+0 0E+0
# -Vm 0
Phillipsite_Ca
Ca0.5AlSi3O8:3H2O = 0.500Ca+2 + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O
log_k 2.320 #09BLA
delta_h -83.633 #kJ/mol
# Enthalpy of formation: -4824.02 #kJ/mol
-analytic -1.23319E+1 0E+0 4.36845E+3 0E+0 0E+0
-Vm 151.15
Phillipsite_K
KAlSi3O8:3H2O = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O
log_k 0.040 #09BLA
delta_h -46.436 #kJ/mol
# Enthalpy of formation: -4841.858 #kJ/mol
-analytic -8.09523E+0 0E+0 2.42552E+3 0E+0 0E+0
-Vm 148.97
Phillipsite_Na
NaAlSi3O8:3H2O = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O
log_k 1.450 #09BLA
delta_h -64.833 #kJ/mol
# Enthalpy of formation: -4811.661 #kJ/mol
-analytic -9.90824E+0 0E+0 3.38646E+3 0E+0 0E+0
-Vm 149.69
Phlogopite_K
KMg3Si3AlO10(OH)2 = 3.000Mg+2 + 1.000K+ + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4)
log_k 41.080
delta_h -360.122 #kJ/mol
# Enthalpy of formation: -6215 #kJ/mol #92CIR/NAV
-analytic -2.20106E+1 0E+0 1.88105E+4 0E+0 0E+0
-Vm 149.65
Phlogopite_Na
NaMg3AlSi3O10(OH)2 = 3.000Mg+2 + 1.000Na+ + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4)
log_k 44.180
delta_h -391.182 #kJ/mol
# Enthalpy of formation: -6172.14 #kJ/mol #98HOL/POW
-analytic -2.4352E+1 0E+0 2.04328E+4 0E+0 0E+0
-Vm 144.5
Phosgenite
Pb2(CO3)Cl2 = 2.000Pb+2 + 1.000CO3-2 + 2.000Cl-
log_k 19.900 #74NAU/RYZ
delta_h -163.291 #kJ/mol
# Enthalpy of formation: -844.259 #kJ/mol
-analytic -8.70731E+0 0E+0 8.52927E+3 0E+0 0E+0
# -Vm 0
Picromerite
K2Mg(SO4)2:6H2O = 1.000Mg+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O
log_k -4.330 #84HAR/MOL
delta_h 33.487 #kJ/mol
# Enthalpy of formation: -4538.427 #kJ/mol #74NAU/RYZ
-analytic 1.53666E+0 0E+0 -1.74915E+3 0E+0 0E+0
# -Vm 0
Pirssonite
Na2Ca(CO3)2:2H2O = 1.000Ca+2 + 2.000Na+ + 2.000CO3-2 + 2.000H2O
log_k -8.910 #99KON/KON
delta_h 9.579 #kJ/mol
# Enthalpy of formation: -2955.379 #kJ/mol
-analytic -7.23183E+0 0E+0 -5.00345E+2 0E+0 0E+0
# -Vm 0
Plattnerite
PbO2 = 1.000Pb+2 - 4.000H+ - 2.000e- + 2.000H2O
log_k 49.600
delta_h -296.270 #kJ/mol
# Enthalpy of formation: -274.47 #kJ/mol #98CHA
-analytic -2.3042E+0 0E+0 1.54752E+4 0E+0 0E+0
# -Vm 0
Plumbogummite
PbAl3(PO4)2(OH)5:H2O = 1.000Pb+2 + 3.000Al+3 - 9.000H+ + 2.000H2(PO4)- + 6.000H2O
log_k 13.240 #74NRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.324E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Plumbonacrite
Pb10(CO3)6O(OH)6 = 10.000Pb+2 - 8.000H+ + 6.000CO3-2 + 7.000H2O
log_k -42.090
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.209E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Polydymite
Ni3S4 = 3.000Ni+2 - 4.000H+ - 2.000e- + 4.000HS-
log_k -39.270
delta_h 96.116 #kJ/mol
# Enthalpy of formation: -326.352 #kJ/mol #74MIL
-analytic -2.24312E+1 0E+0 -5.02048E+3 0E+0 0E+0
# -Vm 0
Polyhalite
K2MgCa2(SO4)4:2H2O = 2.000Ca+2 + 1.000Mg+2 + 2.000K+ + 4.000SO4-2 + 2.000H2O
log_k -13.740 #84HAR/MOL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.374E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Portlandite
Ca(OH)2 = 1.000Ca+2 - 2.000H+ + 2.000H2O
log_k 22.810 #10BLA/BOU1
delta_h -130.107 #kJ/mol
# Enthalpy of formation: -984.552 #kJ/mol
-analytic 1.62655E-2 0E+0 6.79595E+3 0E+0 0E+0
-Vm 33.06
Pu(CO3)(OH)(s)
Pu(CO3)(OH) = 1.000Pu+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O
log_k -5.740 #Estimated by correlation with An(III) in function of ionic radii
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.74E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Pu(HPO4)2(am,hyd)
Pu(HPO4)2 = 1.000Pu+4 - 2.000H+ + 2.000H2(PO4)-
log_k -16.030 #01LEM/FUG
delta_h -32.691 #kJ/mol
# Enthalpy of formation: -3112.403 #kJ/mol
-analytic -2.17572E+1 0E+0 1.70757E+3 0E+0 0E+0
# -Vm 0
Pu(OH)3(cr)
Pu(OH)3 = 1.000Pu+3 - 3.000H+ + 3.000H2O
log_k 15.800 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.58E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Pu(OH)4(am)
Pu(OH)4 = 1.000Pu+4 - 4.000H+ + 4.000H2O
log_k -0.800 #89LEM/GAR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -8E-1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Pu(PO4)(s,hyd)
Pu(PO4) = 1.000Pu+3 - 2.000H+ + 1.000H2(PO4)-
log_k -5.040 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.04E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Pu(cr)
Pu = 1.000Pu+3 + 3.000e-
log_k 101.430
delta_h -591.790 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #01LEM/FUG
-analytic -2.24701E+0 0E+0 3.09113E+4 0E+0 0E+0
# -Vm 0
Pu2O3(s)
Pu2O3 = 2.000Pu+3 - 6.000H+ + 3.000H2O
log_k 50.630
delta_h -385.070 #kJ/mol
# Enthalpy of formation: -1656 #kJ/mol #01LEM/FUG
-analytic -1.68313E+1 0E+0 2.01136E+4 0E+0 0E+0
# -Vm 0
PuAs(s)
PuAs = 1.000PuO2+2 + 12.000H+ + 11.000e- + 1.000AsO4-3 - 6.000H2O
log_k -44.420
delta_h 244.804 #kJ/mol
# Enthalpy of formation: -240 #kJ/mol #01LEM/FUG
-analytic -1.53224E+0 0E+0 -1.2787E+4 0E+0 0E+0
# -Vm 0
PuF4(s)
PuF4 = 1.000Pu+4 + 4.000F-
log_k -26.070 #01LEM/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.607E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
PuO2(CO3)(s)
PuO2(CO3) = 1.000PuO2+2 + 1.000CO3-2
log_k -14.650 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.465E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
PuO2(OH)(s)
PuO2(OH) = 1.000PuO2+ - 1.000H+ + 1.000H2O
log_k 5.000 #01LEM/FUG
delta_h -36.164 #kJ/mol
# Enthalpy of formation: -1159.793 #kJ/mol
-analytic -1.33565E+0 0E+0 1.88897E+3 0E+0 0E+0
# -Vm 0
PuO2(OH)2:H2O(s)
PuO2(OH)2:H2O = 1.000PuO2+2 - 2.000H+ + 3.000H2O
log_k 5.500 #01LEM/FUG
delta_h -46.718 #kJ/mol
# Enthalpy of formation: -1632.807 #kJ/mol
-analytic -2.68463E+0 0E+0 2.44025E+3 0E+0 0E+0
# -Vm 0
PuO2(Ox):3H2O(s)
PuO2(Ox):3H2O = 1.000PuO2+2 + 1.000Ox-2 + 3.000H2O
log_k -10.000 #05HUM/AND
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
PuO2(coll,hyd)
PuO2 = 1.000Pu+4 - 4.000H+ + 2.000H2O
log_k 0.200 #07NEC/ALT3
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2E-1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
PuO2(s)
PuO2 = 1.000Pu+4 - 4.000H+ + 2.000H2O
log_k -8.030
delta_h -55.755 #kJ/mol
# Enthalpy of formation: -1055.8 #kJ/mol #01LEM/FUG
-analytic -1.77978E+1 0E+0 2.91228E+3 0E+0 0E+0
# -Vm 0
PuO2:2H2O(am)
PuO2:2H2O = 1.000Pu+4 - 4.000H+ + 4.000H2O
log_k -2.370 #03GUI/FAN
delta_h -58.546 #kJ/mol
# Enthalpy of formation: -1624.668 #kJ/mol
-analytic -1.26268E+1 0E+0 3.05807E+3 0E+0 0E+0
# -Vm 0
Pyrite
FeS2 = 1.000Fe+2 - 2.000H+ - 2.000e- + 2.000HS-
log_k -15.790
delta_h 45.050 #kJ/mol
# Enthalpy of formation: -167.65 #kJ/mol #76RAU in 04CHI
-analytic -7.89759E+0 0E+0 -2.35312E+3 0E+0 0E+0
-Vm 23.94
Pyrochroite
Mn(OH)2 = 1.000Mn+2 - 2.000H+ + 2.000H2O
log_k 15.300 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.53E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Pyromorphite
Pb5Cl(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)-
log_k -25.750 #74NRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.575E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Pyromorphite-Br
Pb5Br(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000Br- + 3.000H2(PO4)-
log_k -19.450 #74NRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.945E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Pyromorphite-F
Pb5F(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000F- + 3.000H2(PO4)-
log_k -13.100 #74NRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.31E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Pyromorphite-OH
Pb5(OH)(PO4)3 = 5.000Pb+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O
log_k -4.150 #74NRI
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -4.15E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Pyrophyllite
Al2Si4O10(OH)2 = 2.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
log_k -0.440
delta_h -138.256 #kJ/mol
# Enthalpy of formation: -5640 #kJ/mol #95ROB/HEM
-analytic -2.46614E+1 0E+0 7.2216E+3 0E+0 0E+0
-Vm 128.1
Pyrrhotite
Fe0.87S = 0.870Fe+2 - 1.000H+ - 0.260e- + 1.000HS-
log_k -5.670
delta_h 2.900 #kJ/mol
# Enthalpy of formation: -97.5 #kJ/mol #95ROB/HEM
-analytic -5.16194E+0 0E+0 -1.51477E+2 0E+0 0E+0
-Vm 18.2
Quartz
SiO2 = 1.000H4(SiO4) - 2.000H2O
log_k -3.740
delta_h 21.166 #kJ/mol
# Enthalpy of formation: -910.7 #kJ/mol #82RIC/BOT
-analytic -3.18814E-2 0E+0 -1.10558E+3 0E+0 0E+0
-Vm 22.69
Ra(CO3)(s)
Ra(CO3) = 1.000Ra+2 + 1.000CO3-2
log_k -8.300 #85LAN/RIE
delta_h 13.640 #kJ/mol
# Enthalpy of formation: -1216.896 #kJ/mol
-analytic -5.91038E+0 0E+0 -7.12466E+2 0E+0 0E+0
# -Vm 0
Ra(NO3)2(s)
Ra(NO3)2 = 1.000Ra+2 + 2.000NO3-
log_k -2.210
delta_h 49.981 #kJ/mol
# Enthalpy of formation: -991.706 #kJ/mol
-analytic 6.54628E+0 0E+0 -2.61069E+3 0E+0 0E+0
# -Vm 0
Ra(OH)2(s)
Ra(OH)2 = - 2.000H+ + 1.000Ra+2 + 2.000H2O
log_k 30.990
delta_h -149.762 #kJ/mol
# Enthalpy of formation: -949.923 #kJ/mol
-analytic 4.75286E+0 0E+0 7.8226E+3 0E+0 0E+0
# -Vm 0
Ra(SO4)(s)
Ra(SO4) = 1.000Ra+2 + 1.000SO4-2
log_k -10.260 #99SCH, 85LAN/RIE
delta_h 39.014 #kJ/mol
# Enthalpy of formation: -1476.379 #kJ/mol
-analytic -3.42505E+0 0E+0 -2.03784E+3 0E+0 0E+0
# -Vm 0
Ra(cr)
Ra = 1.000Ra+2 + 2.000e-
log_k 98.440
delta_h -528.025 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #82WAG/EVA
-analytic 5.93413E+0 0E+0 2.75806E+4 0E+0 0E+0
# -Vm 0
RaCl2:2H2O(s)
RaCl2:2H2O = 1.000Ra+2 + 2.000Cl- + 2.000H2O
log_k -0.730
delta_h 32.221 #kJ/mol
# Enthalpy of formation: -1466.065 #kJ/mol
-analytic 4.91487E+0 0E+0 -1.68302E+3 0E+0 0E+0
# -Vm 0
Rb(cr)
Rb = 1.000e- + 1.000Rb+
log_k 49.760
delta_h -251.120 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
-analytic 5.76573E+0 0E+0 1.31169E+4 0E+0 0E+0
# -Vm 0
Rb2MoO4(s)
Rb2MoO4 = 1.000MoO4-2 + 2.000Rb+
log_k 3.100
delta_h -5.315 #kJ/mol
# Enthalpy of formation: -1493.925 #kJ/mol
-analytic 2.16885E+0 0E+0 2.77621E+2 0E+0 0E+0
# -Vm 0
Realgar
AsS = 7.000H+ + 3.000e- + 1.000HS- + 1.000AsO4-3 - 4.000H2O
log_k -67.060
delta_h 310.285 #kJ/mol
# Enthalpy of formation: -71.406 #kJ/mol
-analytic -1.27005E+1 0E+0 -1.62073E+4 0E+0 0E+0
# -Vm 0
Rhodochrosite
Mn(CO3) = 1.000Mn+2 + 1.000CO3-2
log_k -11.130 #92PEA/BER
delta_h -5.899 #kJ/mol #92PEA/BER
# Enthalpy of formation: -890.131 #kJ/mol
-analytic -1.21635E+1 0E+0 3.08126E+2 0E+0 0E+0
# -Vm 0
Rhodochrosite(syn)
Mn(CO3) = 1.000Mn+2 + 1.000CO3-2
log_k -10.490
delta_h -6.842 #kJ/mol
# Enthalpy of formation: -889.188 #kJ/mol #92JOH
-analytic -1.16887E+1 0E+0 3.57382E+2 0E+0 0E+0
# -Vm 0
Ripidolite_Cca-2
(Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 = 0.011Ca+2 + 2.964Mg+2 + 0.215Fe+3 + 1.712Fe+2 + 2.483Al+3 - 17.468H+ + 2.633H4(SiO4) + 7.468H2O
log_k 61.320
delta_h -633.385 #kJ/mol
# Enthalpy of formation: -8240.14 #kJ/mol #13BLA/GAI2
-analytic -4.96441E+1 0E+0 3.3084E+4 0E+0 0E+0
-Vm 211.83
Romarchite
SnO = 1.000Sn+2 - 2.000H+ + 1.000H2O
log_k 1.590
delta_h -11.207 #kJ/mol
# Enthalpy of formation: -284.24 #kJ/mol #12GAM/GAJ
-analytic -3.73379E-1 0E+0 5.85382E+2 0E+0 0E+0
# -Vm 0
Rutherfordine
(UO2)(CO3) = 1.000UO2+2 + 1.000CO3-2
log_k -14.760 #03GUI/FAN
delta_h -2.929 #kJ/mol
# Enthalpy of formation: -1691.302 #kJ/mol
-analytic -1.52731E+1 0E+0 1.52992E+2 0E+0 0E+0
# -Vm 0
S(cr)
S = - 1.000H+ - 2.000e- + 1.000HS-
log_k -2.140
delta_h -16.300 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic -4.99563E+0 0E+0 8.51407E+2 0E+0 0E+0
# -Vm 0
Sacchite
MnCl2 = 1.000Mn+2 + 2.000Cl-
log_k 8.770 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.77E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Sanidine
KAlSi3O8 = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O
log_k 0.580
delta_h -65.072 #kJ/mol
# Enthalpy of formation: -3965.73 #kJ/mol #99ARN/STE
-analytic -1.08201E+1 0E+0 3.39894E+3 0E+0 0E+0
# -Vm 0
Saponite-Ca
Ca0.17Mg3Al0.34Si3.66O10(OH)2 = 0.170Ca+2 + 3.000Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
log_k 29.340
delta_h -271.305 #kJ/mol
# Enthalpy of formation: -5998.44 #kJ/mol #15BLA/VIE
-analytic -1.81905E+1 0E+0 1.41712E+4 0E+0 0E+0
-Vm 142.57
Saponite-FeCa
Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 = 0.170Ca+2 + 2.000Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
log_k 24.460
delta_h -259.175 #kJ/mol
# Enthalpy of formation: -5633.57 #kJ/mol #15BLA/VIE
-analytic -2.09454E+1 0E+0 1.35376E+4 0E+0 0E+0
-Vm 145.15
Saponite-FeK
K0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2.000Mg+2 + 0.340K+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
log_k 25.380
delta_h -240.632 #kJ/mol
# Enthalpy of formation: -5645.53 #kJ/mol #15BLA/VIE
-analytic -1.67769E+1 0E+0 1.25691E+4 0E+0 0E+0
-Vm 144.27
Saponite-FeMg
Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 = 2.170Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
log_k 26.000
delta_h -260.345 #kJ/mol
# Enthalpy of formation: -5619.48 #kJ/mol #15BLA/VIE
-analytic -1.96104E+1 0E+0 1.35987E+4 0E+0 0E+0
-Vm 141.16
Saponite-FeNa
Na0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2.000Mg+2 + 0.340Na+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
log_k 25.710
delta_h -248.260 #kJ/mol
# Enthalpy of formation: -5633.89 #kJ/mol #15BLA/VIE
-analytic -1.77832E+1 0E+0 1.29675E+4 0E+0 0E+0
-Vm 143.54
Saponite-K
K0.34Mg3Al0.34Si3.66O10(OH)2 = 3.000Mg+2 + 0.340K+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
log_k 28.170
delta_h -252.772 #kJ/mol
# Enthalpy of formation: -6010.39 #kJ/mol #15BLA/VIE
-analytic -1.61137E+1 0E+0 1.32032E+4 0E+0 0E+0
-Vm 141.69
Saponite-Mg
Mg0.17Mg3Al0.34Si3.66O10(OH)2 = 3.170Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
log_k 28.790
delta_h -272.485 #kJ/mol
# Enthalpy of formation: -5984.34 #kJ/mol #15BLA/VIE
-analytic -1.89473E+1 0E+0 1.42329E+4 0E+0 0E+0
-Vm 138.58
Saponite-Na
Na0.34Mg3Al0.34Si3.66O10(OH)2 = 3.000Mg+2 + 0.340Na+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
log_k 28.670
delta_h -261.390 #kJ/mol
# Enthalpy of formation: -5997.76 #kJ/mol #15BLA/VIE
-analytic -1.71235E+1 0E+0 1.36533E+4 0E+0 0E+0
-Vm 140.96
Saponite_SapCa
(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 = 0.038Ca+2 + 2.949Mg+2 + 0.021K+ + 0.394Na+ + 0.034Fe+3 + 0.021Fe+2 + 0.397Al+3 - 7.724H+ + 3.569H4(SiO4) - 2.276H2O
log_k 31.450
delta_h -285.499 #kJ/mol
# Enthalpy of formation: -5994.06 #kJ/mol #13GAI/BLA
-analytic -1.85672E+1 0E+0 1.49126E+4 0E+0 0E+0
-Vm 141.66
Saponite_SapCa(4.151H2O)
(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O = 0.038Ca+2 + 2.949Mg+2 + 0.021K+ + 0.394Na+ + 0.034Fe+3 + 0.021Fe+2 + 0.397Al+3 - 7.724H+ + 3.569H4(SiO4) + 1.875H2O
log_k 28.270
delta_h -255.589 #kJ/mol
# Enthalpy of formation: -7210.45 #kJ/mol #09GAI
-analytic -1.65072E+1 0E+0 1.33503E+4 0E+0 0E+0
-Vm 216.67
Sb(cr)
Sb = 3.000H+ + 3.000e- + 1.000Sb(OH)3 - 3.000H2O
log_k -11.670
delta_h 83.597 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #98KON/VAN
-analytic 2.97554E+0 0E+0 -4.36657E+3 0E+0 0E+0
# -Vm 0
Sb2O5(s)
Sb2O5 = 2.000Sb(OH)5 - 5.000H2O
log_k -7.400 #48TOU/MOU in 76BAE/MES
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -7.4E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Schoepite
UO3:2H2O = 1.000UO2+2 - 2.000H+ + 3.000H2O
log_k 5.960 #91SAN/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5.96E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Schoepite(des)
UO3:0.9H2O = 1.000UO2+2 - 2.000H+ + 1.900H2O
log_k 5.000
delta_h -55.777 #kJ/mol
# Enthalpy of formation: -1506.3 #kJ/mol #92GRE/FUG
-analytic -4.7717E+0 0E+0 2.91343E+3 0E+0 0E+0
# -Vm 0
Scolecite
CaAl2Si3O10:3H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 3.000H4(SiO4) + 1.000H2O
log_k 16.630
delta_h -240.212 #kJ/mol
# Enthalpy of formation: -6049 #kJ/mol #83JOH/FLO
-analytic -2.54533E+1 0E+0 1.25471E+4 0E+0 0E+0
-Vm 172.3
Se(s)
Se = - 1.000H+ - 2.000e- + 1.000HSe-
log_k -7.620
delta_h 14.300 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
-analytic -5.11475E+0 0E+0 -7.4694E+2 0E+0 0E+0
# -Vm 0
Se3U(cr)
Se3U = 1.000UO2+2 + 1.000H+ + 3.000HSe- - 2.000H2O
log_k -18.270
delta_h 47.560 #kJ/mol
# Enthalpy of formation: -452 #kJ/mol #92GRE/FUG
-analytic -9.93786E+0 0E+0 -2.48423E+3 0E+0 0E+0
# -Vm 0
SeO3(cr)
SeO3 = 2.000H+ + 1.000SeO4-2 - 1.000H2O
log_k 20.360
delta_h -154.570 #kJ/mol
# Enthalpy of formation: -163.1 #kJ/mol #05OLI/NOL
-analytic -6.71946E+0 0E+0 8.07374E+3 0E+0 0E+0
# -Vm 0
SeU(cr)
SeU = 1.000U+4 - 1.000H+ + 2.000e- + 1.000HSe-
log_k 37.340
delta_h -304.900 #kJ/mol
# Enthalpy of formation: -272 #kJ/mol #05OLI/NOL
-analytic -1.60761E+1 0E+0 1.5926E+4 0E+0 0E+0
# -Vm 0
Si(cr)
Si = 4.000H+ + 4.000e- + 1.000H4(SiO4) - 4.000H2O
log_k 63.190
delta_h -317.874 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic 7.50095E+0 0E+0 1.66037E+4 0E+0 0E+0
# -Vm 0
SiO2(am)
SiO2 = 1.000H4(SiO4) - 2.000H2O
log_k -2.710 #00GUN/ARN
delta_h 13.522 #kJ/mol
# Enthalpy of formation: -903.057 #kJ/mol
-analytic -3.41051E-1 0E+0 -7.06302E+2 0E+0 0E+0
-Vm 29
Siderite
Fe(CO3) = 1.000Fe+2 + 1.000CO3-2
log_k -10.800 #92BRU/WER
delta_h -12.012 #kJ/mol
# Enthalpy of formation: -753.218 #kJ/mol
-analytic -1.29044E+1 0E+0 6.2743E+2 0E+0 0E+0
-Vm 29.38
Siderophyllite
KFe2Al3Si2O10(OH)2 = 1.000K+ + 2.000Fe+2 + 3.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O
log_k 40.560
delta_h -484.778 #kJ/mol
# Enthalpy of formation: -5628.27 #kJ/mol #90HOL/POW
-analytic -4.43693E+1 0E+0 2.53217E+4 0E+0 0E+0
-Vm 150.63
Sm(OH)3(am)
Sm(OH)3 = 1.000Sm+3 - 3.000H+ + 3.000H2O
log_k 17.850 #98DIA/RAG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.785E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Sm(OH)3(s)
Sm(OH)3 = 1.000Sm+3 - 3.000H+ + 3.000H2O
log_k 16.130 #98DIA/RAG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.613E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Sm(cr)
Sm = 1.000Sm+3 + 3.000e-
log_k 116.620
delta_h -691.198 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #79ROB/HEM
-analytic -4.47251E+0 0E+0 3.61037E+4 0E+0 0E+0
# -Vm 0
Sm2(CO3)3(s)
Sm2(CO3)3 = 2.000Sm+3 + 3.000CO3-2
log_k -34.500 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.45E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Sm2(SO4)3(s)
Sm2(SO4)3 = 2.000Sm+3 + 3.000SO4-2
log_k -9.800 #95SPA/BRU
delta_h -211.316 #kJ/mol
# Enthalpy of formation: -3899.1 #kJ/mol #82WAG/EVA
-analytic -4.68209E+1 0E+0 1.10378E+4 0E+0 0E+0
# -Vm 0
Sm2O3(s)
Sm2O3 = 2.000Sm+3 - 6.000H+ + 3.000H2O
log_k 43.110
delta_h -355.036 #kJ/mol
# Enthalpy of formation: -1884.849 #kJ/mol
-analytic -1.90895E+1 0E+0 1.85448E+4 0E+0 0E+0
# -Vm 0
SmCl3:6H2O(s)
SmCl3:6H2O = 1.000Sm+3 + 3.000Cl- + 6.000H2O
log_k 4.800 #96FAL/REA
delta_h -38.319 #kJ/mol
# Enthalpy of formation: -2869.096 #kJ/mol
-analytic -1.91319E+0 0E+0 2.00154E+3 0E+0 0E+0
# -Vm 0
SmF3:0.5H2O(s)
SmF3:0.5H2O = 1.000Sm+3 + 3.000F- + 0.500H2O
log_k -17.500 #95SPA/BRU
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.75E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
SmOHCO3(cr)
SmOHCO3 = 1.000Sm+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O
log_k -10.230
delta_h -38.858 #kJ/mol
# Enthalpy of formation: -1613.4 #kJ/mol #05ROR/FUG
-analytic -1.70376E+1 0E+0 2.02969E+3 0E+0 0E+0
# -Vm 0
SmOHCO3:0.5H2O(cr)
SmOHCO3:0.5H2O = 1.000Sm+3 - 1.000H+ + 1.000CO3-2 + 1.500H2O
log_k -7.310
delta_h -51.073 #kJ/mol
# Enthalpy of formation: -1744.1 #kJ/mol #05ROR/FUG
-analytic -1.62576E+1 0E+0 2.66772E+3 0E+0 0E+0
# -Vm 0
SmPO4:H2O(am)
SmPO4:H2O = 1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O
log_k -5.000 #05CET/WOO
delta_h -26.479 #kJ/mol
# Enthalpy of formation: -2253.149 #kJ/mol #05CET/WOO
-analytic -9.63891E+0 0E+0 1.38309E+3 0E+0 0E+0
# -Vm 0
SmPO4:H2O(cr)
SmPO4:H2O = 1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O
log_k -6.670 #97LIU/BYR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.67E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
SmectiteMX80
Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 0.035Fe+2 + 1.860Al+3 - 7.048H+ + 3.738H4(SiO4) - 2.952H2O
log_k 5.260
delta_h -184.029 #kJ/mol
# Enthalpy of formation: -5656.37 #kJ/mol #12GAI/BLA
-analytic -2.69804E+1 0E+0 9.61249E+3 0E+0 0E+0
-Vm 134.92
Smectite_MX80(3.989H2O)
(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 0.035Fe+2 + 1.860Al+3 - 7.048H+ + 3.738H4(SiO4) + 1.037H2O
log_k 1.750
delta_h -157.245 #kJ/mol
# Enthalpy of formation: -6823.33 #kJ/mol #12GAI/BLA
-analytic -2.57981E+1 0E+0 8.21347E+3 0E+0 0E+0
-Vm 207
Smectite_MX80(5.189H2O)
(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 0.035Fe+2 + 1.860Al+3 - 7.048H+ + 3.738H4(SiO4) + 2.237H2O
log_k 1.410
delta_h -149.151 #kJ/mol
# Enthalpy of formation: -7174.42 #kJ/mol #12GAI/BLA
-analytic -2.47201E+1 0E+0 7.79069E+3 0E+0 0E+0
-Vm 228.69
Sn(OH)4(s)
Sn(OH)4 = 1.000Sn+4 - 4.000H+ + 4.000H2O
log_k -1.280 #70BAR/KLI in 01SEB/POT
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.28E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Sn(OH)Cl(s)
Sn(OH)Cl = 1.000Sn+2 - 1.000H+ + 1.000Cl- + 1.000H2O
log_k -2.420 #30RAN/MUR recalculated in 99LOT/OCH
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.42E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Sn(cr)(alfa)
Sn = 1.000Sn+2 + 2.000e-
log_k 4.820
delta_h -7.637 #kJ/mol
# Enthalpy of formation: -1.98 #kJ/mol #12GAM/GAJ
-analytic 3.48206E+0 0E+0 3.98908E+2 0E+0 0E+0
# -Vm 0
Sn(cr)(beta)
Sn = 1.000Sn+2 + 2.000e-
log_k 4.800
delta_h -9.617 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic 3.11518E+0 0E+0 5.0233E+2 0E+0 0E+0
# -Vm 0
SnO2(am)
SnO2 = 1.000Sn+4 - 4.000H+ + 2.000H2O
log_k -14.770
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.477E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
SnSe(alfa)
SnSe = 1.000Sn+2 - 1.000H+ + 1.000HSe-
log_k -21.670
delta_h 114.183 #kJ/mol
# Enthalpy of formation: -109.5 #kJ/mol #05OLI/NOL
-analytic -1.66603E+0 0E+0 -5.96418E+3 0E+0 0E+0
# -Vm 0
SnSe2(s)
SnSe2 = 1.000Sn+2 - 2.000H+ - 2.000e- + 2.000HSe-
log_k -30.790
delta_h 133.883 #kJ/mol
# Enthalpy of formation: -114.9 #kJ/mol #05OLI/NOL
-analytic -7.33474E+0 0E+0 -6.99319E+3 0E+0 0E+0
# -Vm 0
Soddyite(synt1)
(UO2)2SiO4:2H2O = 2.000UO2+2 - 4.000H+ + 1.000H4(SiO4) + 2.000H2O
log_k 3.900 #97PER/CAS
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Soddyite(synt2)
(UO2)2SiO4:2H2O = 2.000UO2+2 - 4.000H+ + 1.000H4(SiO4) + 2.000H2O
log_k 6.430 #07GOR/MAZ
delta_h -25.454 #kJ/mol
# Enthalpy of formation: -4045.4 #kJ/mol #07GOR/MAZ
-analytic 1.97066E+0 0E+0 1.32955E+3 0E+0 0E+0
# -Vm 0
Sodium-compreignacite
Na2(UO2)6O4(OH)6:7H2O = 2.000Na+ + 6.000UO2+2 - 14.000H+ + 17.000H2O
log_k 39.400 #08GOR/FEI
delta_h -517.390 #kJ/mol
# Enthalpy of formation: -10936.4 #kJ/mol #06KUB/HEL
-analytic -5.12427E+1 0E+0 2.70251E+4 0E+0 0E+0
# -Vm 0
Sphaerocobaltite
CoCO3 = 1.000Co+2 + 1.000CO3-2
log_k -11.200 #99GRA2
delta_h -9.421 #kJ/mol
# Enthalpy of formation: -723.409 #kJ/mol
-analytic -1.28505E+1 0E+0 4.92092E+2 0E+0 0E+0
# -Vm 0
Sr(HPO4)(s)
Sr(HPO4) = 1.000Sr+2 - 1.000H+ + 1.000H2(PO4)-
log_k 0.280 #97MAR/SMI
delta_h -19.487 #kJ/mol
# Enthalpy of formation: -1834.013 #kJ/mol
-analytic -3.13397E+0 0E+0 1.01788E+3 0E+0 0E+0
# -Vm 0
Sr(NO3)2(cr)
Sr(NO3)2 = 1.000Sr+2 + 2.000NO3-
log_k 0.400
delta_h 17.760 #kJ/mol
# Enthalpy of formation: -982.36 #kJ/mol #92GRE/FUG
-analytic 3.51141E+0 0E+0 -9.27668E+2 0E+0 0E+0
# -Vm 0
Sr(NO3)2:2H2O(s)
Sr(NO3)2:2H2O = 1.000Sr+2 + 2.000NO3- + 2.000H2O
log_k 0.050 #25/08/1994
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 5E-2 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Sr(NO3)2:4H2O(s)
Sr(NO3)2:4H2O = 1.000Sr+2 + 2.000NO3- + 4.000H2O
log_k -0.870 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -8.7E-1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Sr(OH)2(s)
Sr(OH)2 = 1.000Sr+2 - 2.000H+ + 2.000H2O
log_k 27.510
delta_h -153.670 #kJ/mol
# Enthalpy of formation: -968.89 #kJ/mol #98CHA
-analytic 5.88211E-1 0E+0 8.02673E+3 0E+0 0E+0
# -Vm 0
Sr(OH)2:8H2O(s)
Sr(OH)2:8H2O = 1.000Sr+2 - 2.000H+ + 10.000H2O
log_k 24.320 #98FEL/DIX
delta_h -57.000 #kJ/mol
# Enthalpy of formation: -3352.2 #kJ/mol #82WAG/EVA
-analytic 1.4334E+1 0E+0 2.97731E+3 0E+0 0E+0
# -Vm 0
Sr(SeO3)(cr)
Sr(SeO3) = 1.000Sr+2 + 1.000SeO3-2
log_k -6.300 #05OLI/NOL
delta_h -6.160 #kJ/mol
# Enthalpy of formation: -1051.9 #kJ/mol #05OLI/NOL
-analytic -7.37918E+0 0E+0 3.21759E+2 0E+0 0E+0
# -Vm 0
Sr(SeO4)(s)
Sr(SeO4) = 1.000Sr+2 + 1.000SeO4-2
log_k -4.350 #Original source 59SEL/ZUB recalculated in 05OLI/NOL
delta_h -21.841 #kJ/mol
# Enthalpy of formation: -1132.559 #kJ/mol
-analytic -8.17637E+0 0E+0 1.14083E+3 0E+0 0E+0
# -Vm 0
Sr(cr)
Sr = 1.000Sr+2 + 2.000e-
log_k 98.790
delta_h -550.900 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #98CHA
-analytic 2.2766E+0 0E+0 2.87755E+4 0E+0 0E+0
# -Vm 0
Sr2SiO4(s)
Sr2SiO4 = 2.000Sr+2 - 4.000H+ + 1.000H4(SiO4)
log_k 43.250
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 4.325E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Sr3(AsO4)2(s)
Sr3(AsO4)2 = 3.000Sr+2 + 2.000AsO4-3
log_k -16.080
delta_h -109.504 #kJ/mol
# Enthalpy of formation: -3319.478 #kJ/mol
-analytic -3.52642E+1 0E+0 5.71978E+3 0E+0 0E+0
# -Vm 0
Sr3(PO4)2(s)
Sr3(PO4)2 = 3.000Sr+2 - 4.000H+ + 2.000H2(PO4)-
log_k 10.530 #06BLA/IGN
delta_h -147.900 #kJ/mol
# Enthalpy of formation: -4110 #kJ/mol #97KHA/JEM
-analytic -1.53809E+1 0E+0 7.72534E+3 0E+0 0E+0
# -Vm 0
Sr5(PO4)3(OH)(s)
Sr5(PO4)3(OH) = 5.000Sr+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O
log_k 7.170 #05KIM/PAR
delta_h -261.630 #kJ/mol
# Enthalpy of formation: -6686.5 #kJ/mol #95JEM/CHE
-analytic -3.86655E+1 0E+0 1.36659E+4 0E+0 0E+0
# -Vm 0
SrBr2(s)
SrBr2 = 1.000Sr+2 + 2.000Br-
log_k 12.500 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.25E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
SrBr2:6H2O(s)
SrBr2:6H2O = 1.000Sr+2 + 2.000Br- + 6.000H2O
log_k 2.820 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 2.82E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
SrBr2:H2O(s)
SrBr2:H2O = 1.000Sr+2 + 2.000Br- + 1.000H2O
log_k 8.800 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.8E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
SrCl2(s)
SrCl2 = 1.000Sr+2 + 2.000Cl-
log_k 8.120
delta_h -56.210 #kJ/mol
# Enthalpy of formation: -828.85 #kJ/mol #98CHA
-analytic -1.72755E+0 0E+0 2.93605E+3 0E+0 0E+0
# -Vm 0
SrCl2:2H2O(s)
SrCl2:2H2O = 1.000Sr+2 + 2.000Cl- + 2.000H2O
log_k 3.470
delta_h -18.720 #kJ/mol
# Enthalpy of formation: -1438 #kJ/mol #82WAG/EVA
-analytic 1.90402E-1 0E+0 9.77812E+2 0E+0 0E+0
# -Vm 0
SrCl2:6H2O(s)
SrCl2:6H2O = 1.000Sr+2 + 2.000Cl- + 6.000H2O
log_k 1.610
delta_h 23.760 #kJ/mol
# Enthalpy of formation: -2623.8 #kJ/mol #82WAG/EVA
-analytic 5.77257E+0 0E+0 -1.24107E+3 0E+0 0E+0
# -Vm 0
SrCl2:H2O(s)
SrCl2:H2O = 1.000Sr+2 + 2.000Cl- + 1.000H2O
log_k 4.910
delta_h -34.090 #kJ/mol
# Enthalpy of formation: -1136.8 #kJ/mol #82WAG/EVA
-analytic -1.0623E+0 0E+0 1.78064E+3 0E+0 0E+0
# -Vm 0
SrCrO4(s)
SrCrO4 = 1.000Sr+2 + 1.000CrO4-2
log_k -4.650 #97MAR/SMI
delta_h -10.125 #kJ/mol #97MAR/SMI
# Enthalpy of formation: -1419.775 #kJ/mol
-analytic -6.42382E+0 0E+0 5.28865E+2 0E+0 0E+0
# -Vm 0
SrF2(cr)
SrF2 = 1.000Sr+2 + 2.000F-
log_k -8.540 #96FAL/REA
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -8.54E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
SrMoO4(s)
SrMoO4 = 1.000Sr+2 + 1.000MoO4-2
log_k -6.590 #54RAO in 74OHA/KEN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -6.59E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
SrO(cr)
SrO = 1.000Sr+2 - 2.000H+ + 1.000H2O
log_k 41.980
delta_h -244.690 #kJ/mol
# Enthalpy of formation: -592.04 #kJ/mol #98CHA
-analytic -8.87785E-1 0E+0 1.2781E+4 0E+0 0E+0
# -Vm 0
SrS(s)
SrS = 1.000Sr+2 - 1.000H+ + 1.000HS-
log_k 14.680
delta_h -93.570 #kJ/mol
# Enthalpy of formation: -473.63 #kJ/mol #82WAG/EVA
-analytic -1.71274E+0 0E+0 4.88749E+3 0E+0 0E+0
# -Vm 0
SrSiO3(s)
SrSiO3 = 1.000Sr+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O
log_k 13.160
delta_h -80.278 #kJ/mol
# Enthalpy of formation: -1645.986 #kJ/mol #74NAU/RYZ
-analytic -9.04081E-1 0E+0 4.19321E+3 0E+0 0E+0
# -Vm 0
SrZrSi2O7(cr)
SrZrSi2O7 = 1.000Sr+2 - 6.000H+ + 2.000H4(SiO4) + 1.000Zr+4 - 1.000H2O
log_k 5.200
delta_h -155.158 #kJ/mol
# Enthalpy of formation: -3640.8 #kJ/mol #05BRO/CUR
-analytic -2.19825E+1 0E+0 8.10445E+3 0E+0 0E+0
# -Vm 0
Stellerite
Ca2Al4Si14O36:14H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 14.000H4(SiO4) - 6.000H2O
log_k 6.920
delta_h -325.096 #kJ/mol
# Enthalpy of formation: -21656.24 #kJ/mol #01FRI/NEU
-analytic -5.00343E+1 0E+0 1.69809E+4 0E+0 0E+0
-Vm 666.5
Stibnite
Sb2S3 = 3.000H+ + 3.000HS- + 2.000Sb(OH)3 - 6.000H2O
log_k -56.030
delta_h 269.694 #kJ/mol
# Enthalpy of formation: -151.4 #kJ/mol #95ROB/HEM
-analytic -8.78171E+0 0E+0 -1.40871E+4 0E+0 0E+0
# -Vm 0
Stilbite
NaCa2(Al5Si13)O36:16H2O = 2.000Ca+2 + 1.000Na+ + 5.000Al+3 - 20.000H+ + 13.000H4(SiO4)
log_k 22.970
delta_h -434.152 #kJ/mol
# Enthalpy of formation: -22579.71 #kJ/mol #01FRI/NEU
-analytic -5.30901E+1 0E+0 2.26773E+4 0E+0 0E+0
-Vm 664.7
Stilleite
ZnSe = 1.000Zn+2 - 1.000H+ + 1.000HSe-
log_k -12.050
delta_h 36.910 #kJ/mol
# Enthalpy of formation: -176 #kJ/mol #05OLI/NOL
-analytic -5.58366E+0 0E+0 -1.92794E+3 0E+0 0E+0
# -Vm 0
Stratlingite
Ca2Al2SiO3(OH)8:4H2O = 2.000Ca+2 + 2.000Al+3 - 10.000H+ + 1.000H4(SiO4) + 11.000H2O
log_k 49.660 #10BLA/BOU2
delta_h -397.949 #kJ/mol
# Enthalpy of formation: -6370.171 #kJ/mol
-analytic -2.00576E+1 0E+0 2.07863E+4 0E+0 0E+0
-Vm 215.63
Strontianite
Sr(CO3) = 1.000Sr+2 + 1.000CO3-2
log_k -9.270 #84BUS/PLU
delta_h -0.366 #kJ/mol
# Enthalpy of formation: -1225.765 #kJ/mol
-analytic -9.33412E+0 0E+0 1.91175E+1 0E+0 0E+0
# -Vm 0
Sudoite
Mg2Al4Si3O10(OH)8 = 2.000Mg+2 + 4.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O
log_k 37.930
delta_h -530.892 #kJ/mol
# Enthalpy of formation: -8655.27 #kJ/mol #05VID/PAR
-analytic -5.50781E+1 0E+0 2.77304E+4 0E+0 0E+0
-Vm 205.1
Sylvite
KCl = 1.000K+ + 1.000Cl-
log_k 0.870
delta_h 17.460 #kJ/mol
# Enthalpy of formation: -436.68 #kJ/mol #98CHA
-analytic 3.92886E+0 0E+0 -9.11998E+2 0E+0 0E+0
# -Vm 0
Syngenite
K2Ca(SO4)2:6H2O = 1.000Ca+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O
log_k -7.450 #84HAR/MOL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -7.45E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Tachyhydrite
Mg2CaCl6:12H2O = 1.000Ca+2 + 2.000Mg+2 + 6.000Cl- + 12.000H2O
log_k 17.380 #84HAR/MOL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.738E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Talc
Mg3Si4O10(OH)2 = 3.000Mg+2 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
log_k 24.920
delta_h -210.356 #kJ/mol
# Enthalpy of formation: -5892.1 #kJ/mol #01KAH/MAR
-analytic -1.19327E+1 0E+0 1.09876E+4 0E+0 0E+0
-Vm 136.2
Tc(cr)
Tc = 1.000TcO(OH)2 + 4.000H+ + 4.000e- - 3.000H2O
log_k -25.080
delta_h 108.232 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #99RAR/RAN
-analytic -6.1186E+0 0E+0 -5.65334E+3 0E+0 0E+0
# -Vm 0
Tc2O7(s)
Tc2O7 = 2.000H+ + 2.000TcO4- - 1.000H2O
log_k 15.310
delta_h -46.470 #kJ/mol
# Enthalpy of formation: -1126.5 #kJ/mol #99RAR/RAN
-analytic 7.16882E+0 0E+0 2.42729E+3 0E+0 0E+0
# -Vm 0
Tc2O7:H2O(s)
Tc2O7:H2O = 2.000H+ + 2.000TcO4-
log_k 14.110
delta_h -44.654 #kJ/mol
# Enthalpy of formation: -1414.146 #kJ/mol #99RAR/RAN
-analytic 6.28697E+0 0E+0 2.33244E+3 0E+0 0E+0
# -Vm 0
TcO2(cr)
TcO2 = 1.000TcO(OH)2 - 1.000H2O
log_k -9.140 #97NGU/LAN
delta_h -5.628 #kJ/mol
# Enthalpy of formation: -457.8 #kJ/mol #99RAR/RAN
-analytic -1.0126E+1 0E+0 2.9397E+2 0E+0 0E+0
# -Vm 0
TcO2:1.63H2O(s)
TcO2:1.63H2O = 1.000TcO(OH)2 + 0.630H2O
log_k -8.400 #99RAR/RAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -8.4E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Th(HPO4)2(s)
Th(HPO4)2 = 1.000Th+4 - 2.000H+ + 2.000H2(PO4)-
log_k -16.110 #Estimated from An(IV) correlations
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.611E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Th(SO4)2:9H2O(cr)
Th(SO4)2:9H2O = 1.000Th+4 + 2.000SO4-2 + 9.000H2O
log_k -11.250 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.125E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Th(cr)
Th = 1.000Th+4 + 4.000e-
log_k 123.470
delta_h -768.700 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #09RAN/FUG
-analytic -1.12003E+1 0E+0 4.01519E+4 0E+0 0E+0
# -Vm 0
ThF4(cr)
ThF4 = 1.000Th+4 + 4.000F-
log_k -19.110 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.911E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
ThO2(aged)
ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O
log_k 8.500 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
ThO2(coll)
ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O
log_k 11.100 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.11E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
ThO2(cr)
ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O
log_k 1.770
delta_h -113.960 #kJ/mol
# Enthalpy of formation: -1226.4 #kJ/mol #09RAN/FUG
-analytic -1.81949E+1 0E+0 5.95254E+3 0E+0 0E+0
# -Vm 0
ThO2(fresh)
ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O
log_k 9.300 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.3E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
ThO2(mcr)
ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O
log_k 3.000 #09RAN/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 3E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Thermonatrite
Na2(CO3):H2O = 2.000Na+ + 1.000CO3-2 + 1.000H2O
log_k 0.480 #84HAR/MOL
delta_h -12.040 #kJ/mol
# Enthalpy of formation: -1429.7 #kJ/mol #82VAN
-analytic -1.62931E+0 0E+0 6.28892E+2 0E+0 0E+0
# -Vm 0
Thernardite
Na2SO4 = 2.000Na+ + 1.000SO4-2
log_k -0.360
delta_h -2.200 #kJ/mol
# Enthalpy of formation: -1387.82 #kJ/mol #98CHA
-analytic -7.45423E-1 0E+0 1.14914E+2 0E+0 0E+0
# -Vm 0
Tobermorite-11A
Ca5Si6O16.5(OH):5H2O = 5.000Ca+2 - 10.000H+ + 6.000H4(SiO4) - 1.500H2O
log_k 65.580 #10BLA/BOU1
delta_h -372.499 #kJ/mol
# Enthalpy of formation: -10680.92 #kJ/mol #00ZUE/FEH
-analytic 3.21072E-1 0E+0 1.94569E+4 0E+0 0E+0
-Vm 286.19
Tobermorite-14A
Ca5Si6O16.5(OH):10H2O = 5.000Ca+2 - 10.000H+ + 6.000H4(SiO4) + 3.500H2O
log_k 62.940 #10BLA/BOU1
delta_h -307.419 #kJ/mol
# Enthalpy of formation: -12175.15 #kJ/mol #10BLA/BOU1
-analytic 9.08258E+0 0E+0 1.60576E+4 0E+0 0E+0
-Vm 351.3
Trevorite
Fe2NiO4 = 2.000Fe+3 + 1.000Ni+2 - 8.000H+ + 4.000H2O
log_k 9.450
delta_h -215.157 #kJ/mol
# Enthalpy of formation: -1081.173 #kJ/mol
-analytic -2.82438E+1 0E+0 1.12384E+4 0E+0 0E+0
# -Vm 0
Troilite
FeS = 1.000Fe+2 - 1.000H+ + 1.000HS-
log_k -5.310 #91DAV
delta_h 2.017 #kJ/mol
# Enthalpy of formation: -108.317 #kJ/mol
-analytic -4.95664E+0 0E+0 -1.05355E+2 0E+0 0E+0
# -Vm 0
Trona
Na3H(CO3)2:2H2O = 3.000Na+ + 1.000H+ + 2.000CO3-2 + 2.000H2O
log_k -11.380 #84HAR/MOL
delta_h 38.960 #kJ/mol
# Enthalpy of formation: -2682.1 #kJ/mol #82VAN
-analytic -4.55451E+0 0E+0 -2.03502E+3 0E+0 0E+0
# -Vm 0
Truscottite
Ca7Si12O29(OH)4:H2O = 7.000Ca+2 - 14.000H+ + 12.000H4(SiO4) - 14.000H2O
log_k 77.080
delta_h -479.088 #kJ/mol
# Enthalpy of formation: -16854.62 #kJ/mol #10BLA/BOU1
-analytic -6.85249E+0 0E+0 2.50245E+4 0E+0 0E+0
-Vm 478.73
U(HPO4)2:4H2O(s)
U(HPO4)2:4H2O = 1.000U+4 - 2.000H+ + 2.000H2(PO4)- + 4.000H2O
log_k -16.070 #92GRE/FUG
delta_h -4.890 #kJ/mol
# Enthalpy of formation: -4334.828 #kJ/mol
-analytic -1.69267E+1 0E+0 2.55422E+2 0E+0 0E+0
# -Vm 0
U(OH)2(SO4)(cr)
U(OH)2(SO4) = 1.000U+4 - 2.000H+ + 1.000SO4-2 + 2.000H2O
log_k -3.170 #92GRE/FUG
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -3.17E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
U(SO4)2(cr)
U(SO4)2 = 1.000U+4 + 2.000SO4-2
log_k -11.680
delta_h -100.280 #kJ/mol
# Enthalpy of formation: -2309.6 #kJ/mol #92GRE/FUG
-analytic -2.92483E+1 0E+0 5.23798E+3 0E+0 0E+0
# -Vm 0
U(SO4)2:4H2O(cr)
U(SO4)2:4H2O = 1.000U+4 + 2.000SO4-2 + 4.000H2O
log_k -11.710
delta_h -70.000 #kJ/mol
# Enthalpy of formation: -3483.2 #kJ/mol #92GRE/FUG
-analytic -2.39735E+1 0E+0 3.65635E+3 0E+0 0E+0
# -Vm 0
U(SO4)2:8H2O(cr)
U(SO4)2:8H2O = 1.000U+4 + 2.000SO4-2 + 8.000H2O
log_k -12.770
delta_h -33.920 #kJ/mol
# Enthalpy of formation: -4662.6 #kJ/mol #92GRE/FUG
-analytic -1.87125E+1 0E+0 1.77176E+3 0E+0 0E+0
# -Vm 0
U(cr)
U = 1.000U+4 + 4.000e-
log_k 92.830
delta_h -591.200 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
-analytic -1.07436E+1 0E+0 3.08805E+4 0E+0 0E+0
# -Vm 0
U2O7Ba(cr)
U2O7Ba = 1.000Ba+2 + 2.000UO2+2 - 6.000H+ + 3.000H2O
log_k 21.390
delta_h -193.090 #kJ/mol
# Enthalpy of formation: -3237.2 #kJ/mol #92GRE/FUG
-analytic -1.24379E+1 0E+0 1.00858E+4 0E+0 0E+0
# -Vm 0
U2O7Ba2(cr)
U2O7Ba2 = 2.000Ba+2 + 2.000UO2+ - 6.000H+ + 3.000H2O
log_k 35.350
delta_h -237.344 #kJ/mol
# Enthalpy of formation: -3740 #kJ/mol #92GRE/FUG
-analytic -6.23082E+0 0E+0 1.23973E+4 0E+0 0E+0
# -Vm 0
U2O7Na2(s)
U2O7Na2 = 2.000Na+ + 2.000UO2+2 - 6.000H+ + 3.000H2O
log_k 22.600
delta_h -172.370 #kJ/mol
# Enthalpy of formation: -3203.8 #kJ/mol #92GRE/FUG
-analytic -7.59788E+0 0E+0 9.0035E+3 0E+0 0E+0
# -Vm 0
U3As4(s)
U3As4 = 3.000UO2+2 + 44.000H+ + 38.000e- + 4.000AsO4-3 - 22.000H2O
log_k -86.090
delta_h 398.700 #kJ/mol
# Enthalpy of formation: -720 #kJ/mol #03GUI/FAN
-analytic -1.62409E+1 0E+0 -2.08255E+4 0E+0 0E+0
# -Vm 0
UAs(s)
UAs = 1.000UO2+2 + 12.000H+ + 11.000e- + 1.000AsO4-3 - 6.000H2O
log_k -10.460
delta_h 42.140 #kJ/mol
# Enthalpy of formation: -234.3 #kJ/mol #03GUI/FAN
-analytic -3.0774E+0 0E+0 -2.20112E+3 0E+0 0E+0
# -Vm 0
UAs2(s)
UAs2 = 1.000UO2+2 + 20.000H+ + 16.000e- + 2.000AsO4-3 - 10.000H2O
log_k -65.680
delta_h 315.020 #kJ/mol
# Enthalpy of formation: -252 #kJ/mol #03GUI/FAN
-analytic -1.04909E+1 0E+0 -1.64546E+4 0E+0 0E+0
# -Vm 0
UO2(CO3)3Mg2:18H2O(s)
UO2(CO3)3Mg2:18H2O = 2.000Mg+2 + 1.000UO2+2 + 3.000CO3-2 + 18.000H2O
log_k -29.010
delta_h 40.570 #kJ/mol
# Enthalpy of formation: -9164.2 #kJ/mol #99CHE/EWI
-analytic -2.19025E+1 0E+0 -2.11912E+3 0E+0 0E+0
# -Vm 0
UO2(CO3)3Na4(cr)
UO2(CO3)3Na4 = 4.000Na+ + 1.000UO2+2 + 3.000CO3-2
log_k -27.180 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.718E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
UO2(HPO4):4H2O(cr)
UO2(HPO4):4H2O = 1.000UO2+2 - 1.000H+ + 1.000H2(PO4)- + 4.000H2O
log_k -4.640 #92GRE/FUG
delta_h 5.048 #kJ/mol
# Enthalpy of formation: -3469.967 #kJ/mol
-analytic -3.75563E+0 0E+0 -2.63675E+2 0E+0 0E+0
# -Vm 0
UO2(OH)2(beta)
UO2(OH)2 = 1.000UO2+2 - 2.000H+ + 2.000H2O
log_k 4.930
delta_h -56.860 #kJ/mol
# Enthalpy of formation: -1533.8 #kJ/mol #92GRE/FUG
-analytic -5.03143E+0 0E+0 2.97E+3 0E+0 0E+0
# -Vm 0
UO2(Ox):3H2O(s)
UO2(Ox):3H2O = 1.000UO2+2 + 1.000Ox-2 + 3.000H2O
log_k -8.930 #05HUM/AND
delta_h -5.160 #kJ/mol #05HUM/AND
# Enthalpy of formation: -2701.99 #kJ/mol
-analytic -9.83399E+0 0E+0 2.69525E+2 0E+0 0E+0
# -Vm 0
UO2(SO3)(cr)
UO2(SO3) = 1.000UO2+2 + 1.000SO3-2
log_k -16.050
delta_h 10.940 #kJ/mol
# Enthalpy of formation: -1661 #kJ/mol #92GRE/FUG
-analytic -1.41334E+1 0E+0 -5.71435E+2 0E+0 0E+0
# -Vm 0
UO2(SO4)(cr)
UO2(SO4) = 1.000UO2+2 + 1.000SO4-2
log_k 1.890
delta_h -83.200 #kJ/mol
# Enthalpy of formation: -1845.14 #kJ/mol #92GRE/FUG
-analytic -1.2686E+1 0E+0 4.34583E+3 0E+0 0E+0
# -Vm 0
UO2(SO4):2.5H2O(cr)
UO2(SO4):2.5H2O = 1.000UO2+2 + 1.000SO4-2 + 2.500H2O
log_k -1.590
delta_h -35.915 #kJ/mol
# Enthalpy of formation: -2607 #kJ/mol #92GRE/FUG
-analytic -7.88203E+0 0E+0 1.87597E+3 0E+0 0E+0
# -Vm 0
UO2(SO4):3.5H2O(cr)
UO2(SO4):3.5H2O = 1.000UO2+2 + 1.000SO4-2 + 3.500H2O
log_k -1.590
delta_h -27.145 #kJ/mol
# Enthalpy of formation: -2901.6 #kJ/mol #92GRE/FUG
-analytic -6.34559E+0 0E+0 1.41788E+3 0E+0 0E+0
# -Vm 0
UO2(SO4):3H2O(cr)
UO2(SO4):3H2O = 1.000UO2+2 + 1.000SO4-2 + 3.000H2O
log_k -1.500
delta_h -34.330 #kJ/mol
# Enthalpy of formation: -2751.5 #kJ/mol #92GRE/FUG
-analytic -7.51435E+0 0E+0 1.79318E+3 0E+0 0E+0
# -Vm 0
UO2.25(s)
UO2.25 = 1.000U+4 - 4.500H+ - 0.500e- + 2.250H2O
log_k -1.000
delta_h -106.318 #kJ/mol
# Enthalpy of formation: -1128 #kJ/mol #92GRE/FUG
-analytic -1.96261E+1 0E+0 5.55337E+3 0E+0 0E+0
# -Vm 0
UO2.34(beta)
UO2.34 = 1.000U+4 - 4.680H+ - 0.680e- + 2.340H2O
log_k 0.950
delta_h -119.042 #kJ/mol
# Enthalpy of formation: -1141 #kJ/mol #03GUI/FAN
-analytic -1.99052E+1 0E+0 6.21799E+3 0E+0 0E+0
# -Vm 0
UO2.67(s)
UO2.67 = 1.000U+4 - 5.340H+ - 1.340e- + 2.670H2O
log_k 7.000
delta_h -162.766 #kJ/mol
# Enthalpy of formation: -1191.6 #kJ/mol #92GRE/FUG
-analytic -2.15153E+1 0E+0 8.50185E+3 0E+0 0E+0
# -Vm 0
UO2:2H2O(am)
UO2:2H2O = 1.000U+4 - 4.000H+ + 4.000H2O
log_k 1.500 #03GUI/FAN
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
UO3(alfa)
UO3 = 1.000UO2+2 - 2.000H+ + 1.000H2O
log_k 9.520
delta_h -92.420 #kJ/mol
# Enthalpy of formation: -1212.41 #kJ/mol #03GUI/FAN
-analytic -6.67127E+0 0E+0 4.82743E+3 0E+0 0E+0
# -Vm 0
UO3(beta)
UO3 = 1.000UO2+2 - 2.000H+ + 1.000H2O
log_k 8.300
delta_h -84.530 #kJ/mol
# Enthalpy of formation: -1220.3 #kJ/mol #92GRE/FUG
-analytic -6.509E+0 0E+0 4.4153E+3 0E+0 0E+0
# -Vm 0
UO3Na(s)
UO3Na = 1.000Na+ + 1.000UO2+ - 2.000H+ + 1.000H2O
log_k 8.340
delta_h -56.397 #kJ/mol
# Enthalpy of formation: -1494.9 #kJ/mol #92GRE/FUG
-analytic -1.54032E+0 0E+0 2.94582E+3 0E+0 0E+0
# -Vm 0
UO4Ba(s)
UO4Ba = 1.000Ba+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O
log_k 17.640
delta_h -131.660 #kJ/mol
# Enthalpy of formation: -1993.8 #kJ/mol #92GRE/FUG
-analytic -5.42581E+0 0E+0 6.87707E+3 0E+0 0E+0
# -Vm 0
UO4Ca(cr)
UO4Ca = 1.000Ca+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O
log_k 15.930
delta_h -131.360 #kJ/mol
# Enthalpy of formation: -2002.3 #kJ/mol #92GRE/FUG
-analytic -7.08325E+0 0E+0 6.8614E+3 0E+0 0E+0
# -Vm 0
UO4Li2(s)
UO4Li2 = 1.000UO2+2 - 4.000H+ + 2.000H2O + 2.000Li+
log_k 27.940
delta_h -179.400 #kJ/mol
# Enthalpy of formation: -1968.2 #kJ/mol #92GRE/FUG
-analytic -3.48948E+0 0E+0 9.3707E+3 0E+0 0E+0
# -Vm 0
UO4Mg(cr)
UO4Mg = 1.000Mg+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O
log_k 23.230
delta_h -200.360 #kJ/mol
# Enthalpy of formation: -1857.3 #kJ/mol #92GRE/FUG
-analytic -1.18715E+1 0E+0 1.04655E+4 0E+0 0E+0
# -Vm 0
UO4Na2(alfa)
UO4Na2 = 2.000Na+ + 1.000UO2+2 - 4.000H+ + 2.000H2O
log_k 30.030
delta_h -173.640 #kJ/mol
# Enthalpy of formation: -1897.7 #kJ/mol #92GRE/FUG
-analytic -3.90378E-1 0E+0 9.06984E+3 0E+0 0E+0
# -Vm 0
UO4Na3(cr)
UO4Na3 = 3.000Na+ + 1.000UO2+ - 4.000H+ + 2.000H2O
log_k 56.280
delta_h -293.807 #kJ/mol
# Enthalpy of formation: -2024 #kJ/mol #92GRE/FUG
-analytic 4.8073E+0 0E+0 1.53466E+4 0E+0 0E+0
# -Vm 0
UO4Sr(alfa)
UO4Sr = 1.000Sr+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O
log_k 19.160
delta_h -151.960 #kJ/mol
# Enthalpy of formation: -1989.6 #kJ/mol #92GRE/FUG
-analytic -7.46221E+0 0E+0 7.93741E+3 0E+0 0E+0
# -Vm 0
UO6Ba3(cr)
UO6Ba3 = 3.000Ba+2 + 1.000UO2+2 - 8.000H+ + 4.000H2O
log_k 92.700
delta_h -556.320 #kJ/mol
# Enthalpy of formation: -3210.4 #kJ/mol #92GRE/FUG
-analytic -4.76294E+0 0E+0 2.90586E+4 0E+0 0E+0
# -Vm 0
US2(cr)
US2 = 1.000U+4 - 2.000H+ + 2.000HS-
log_k -2.430
delta_h -103.400 #kJ/mol
# Enthalpy of formation: -520.4 #kJ/mol #92GRE/FUG
-analytic -2.05449E+1 0E+0 5.40095E+3 0E+0 0E+0
# -Vm 0
USe2(beta)
USe2 = 1.000U+4 - 2.000H+ + 2.000HSe-
log_k 2.820
delta_h -135.600 #kJ/mol
# Enthalpy of formation: -427 #kJ/mol #92GRE/FUG
-analytic -2.09361E+1 0E+0 7.08287E+3 0E+0 0E+0
# -Vm 0
Uraninite
UO2 = 1.000U+4 - 4.000H+ + 2.000H2O
log_k -4.850
delta_h -77.860 #kJ/mol
# Enthalpy of formation: -1085 #kJ/mol #92GRE/FUG
-analytic -1.84905E+1 0E+0 4.06691E+3 0E+0 0E+0
# -Vm 0
Uranophane
Ca(UO2)2(SiO3OH)2:5H2O = 1.000Ca+2 + 2.000UO2+2 - 6.000H+ + 2.000H4(SiO4) + 5.000H2O
log_k 9.420 #92NGU/SIL
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic 9.42E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Vaesite
NiS2 = 1.000Ni+2 - 2.000H+ - 2.000e- + 2.000HS-
log_k -17.970
delta_h 40.388 #kJ/mol
# Enthalpy of formation: -128 #kJ/mol #05GAM/BUG
-analytic -1.08943E+1 0E+0 -2.10961E+3 0E+0 0E+0
# -Vm 0
Valentinite
Sb2O3 = 2.000Sb(OH)3 - 3.000H2O
log_k -8.480
delta_h 18.474 #kJ/mol
# Enthalpy of formation: -708.77 #kJ/mol #62MAH in 03ZOT/SHI
-analytic -5.2435E+0 0E+0 -9.64963E+2 0E+0 0E+0
# -Vm 0
Vaterite
CaCO3 = 1.000Ca+2 + 1.000CO3-2
log_k -7.900
delta_h -14.930 #kJ/mol
# Enthalpy of formation: -1203.3 #kJ/mol #87GAR/PAR
-analytic -1.05156E+1 0E+0 7.79847E+2 0E+0 0E+0
# -Vm 0
Vermiculite-Ca
Ca0.43Mg3Si3.14Al0.86O10(OH)2 = 0.430Ca+2 + 3.000Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O
log_k 39.550
delta_h -377.538 #kJ/mol
# Enthalpy of formation: -6148.06 #kJ/mol #15BLA/VIE
-analytic -2.65917E+1 0E+0 1.97202E+4 0E+0 0E+0
-Vm 149.8
Vermiculite-K
K0.86Mg3.00Si3.14Al0.86O10(OH)2 = 3.000Mg+2 + 0.860K+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O
log_k 37.440
delta_h -335.539 #kJ/mol
# Enthalpy of formation: -6173.41 #kJ/mol #15BLA/VIE
-analytic -2.13438E+1 0E+0 1.75264E+4 0E+0 0E+0
-Vm 147.56
Vermiculite-Mg
Mg0.43Mg3Si3.14Al0.86O10(OH)2 = 3.430Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O
log_k 38.040
delta_h -379.808 #kJ/mol
# Enthalpy of formation: -6113.11 #kJ/mol #15BLA/VIE
-analytic -2.84994E+1 0E+0 1.98387E+4 0E+0 0E+0
-Vm 139.69
Vermiculite-Na
Na0.86Mg3.00Si3.14Al0.86O10(OH)2 = 3.000Mg+2 + 0.860Na+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O
log_k 38.390
delta_h -355.541 #kJ/mol
# Enthalpy of formation: -6143.26 #kJ/mol #15BLA/VIE
-analytic -2.3898E+1 0E+0 1.85712E+4 0E+0 0E+0
-Vm 145.71
Vermiculite_SO
(Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 = 0.445Ca+2 + 2.475Mg+2 + 0.226Fe+3 + 0.028Fe+2 + 1.438Al+3 - 10.888H+ + 2.778H4(SiO4) + 0.888H2O
log_k 45.890
delta_h -463.877 #kJ/mol
# Enthalpy of formation: -6034.41 #kJ/mol #13GAI/BLA
-analytic -3.53776E+1 0E+0 2.42299E+4 0E+0 0E+0
-Vm 148.36
Vivianite
Fe3(PO4)2:8H2O = 3.000Fe+2 - 4.000H+ + 2.000H2(PO4)- + 8.000H2O
log_k 3.120 #90ALL/BRO
delta_h -9.561 #kJ/mol
# Enthalpy of formation: -5152.279 #kJ/mol #91CRO/EWA
-analytic 1.44499E+0 0E+0 4.99405E+2 0E+0 0E+0
# -Vm 0
Wairakite
CaAl2Si4O12:2H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) - 2.000H2O
log_k 14.420
delta_h -246.216 #kJ/mol
# Enthalpy of formation: -6646.7 #kJ/mol #96KIS/NAV
-analytic -2.87151E+1 0E+0 1.28607E+4 0E+0 0E+0
-Vm 193.56
Witherite
Ba(CO3) = 1.000Ba+2 + 1.000CO3-2
log_k -8.560 #86BUS/PLU
delta_h 2.941 #kJ/mol #86BUS/PLU
# Enthalpy of formation: -1212.971 #kJ/mol
-analytic -8.04476E+0 0E+0 -1.53619E+2 0E+0 0E+0
# -Vm 0
Xonotlite
Ca6Si6O17(OH)2 = 6.000Ca+2 - 12.000H+ + 6.000H4(SiO4) - 5.000H2O
log_k 91.340 #10BLA/BOU1
delta_h -573.864 #kJ/mol
# Enthalpy of formation: -10022.15 #kJ/mol #56NEW
-analytic -9.19651E+0 0E+0 2.9975E+4 0E+0 0E+0
-Vm 256.9
Zeolite_CaP
Ca2Al4Si4O16:9H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 4.000H4(SiO4) + 9.000H2O
log_k 45.150 #09BLA
delta_h -527.736 #kJ/mol
# Enthalpy of formation: -11129.11 #kJ/mol #09BLA
-analytic -4.73052E+1 0E+0 2.75655E+4 0E+0 0E+0
-Vm 305.7
Zn(SeO4):6H2O(s)
Zn(SeO4):6H2O = 1.000Zn+2 + 1.000SeO4-2 + 6.000H2O
log_k -1.540 #05OLI/NOL
delta_h -13.330 #kJ/mol
# Enthalpy of formation: -2458.54 #kJ/mol #05OLI/NOL
-analytic -3.87531E+0 0E+0 6.96273E+2 0E+0 0E+0
# -Vm 0
Zn(cr)
Zn = 1.000Zn+2 + 2.000e-
log_k 25.790
delta_h -153.390 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic -1.08274E+0 0E+0 8.01211E+3 0E+0 0E+0
# -Vm 0
Zn3(AsO4)2(s)
Zn3(AsO4)2 = 3.000Zn+2 + 2.000AsO4-3
log_k -27.450
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -2.745E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
ZnB2O4(s)
ZnB2O4 = 1.000Zn+2 + 2.000B(OH)4- - 4.000H2O
log_k -10.190 #91BAL/NOR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -1.019E+1 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Zr(HPO4)2(alfa)
Zr(HPO4)2 = - 2.000H+ + 2.000H2(PO4)- + 1.000Zr+4
log_k -32.270
delta_h -47.500 #kJ/mol
# Enthalpy of formation: -3166.2 #kJ/mol #05BRO/CUR
-analytic -4.05916E+1 0E+0 2.48109E+3 0E+0 0E+0
# -Vm 0
Zr(HPO4)2:H2O(cr)
Zr(HPO4)2:H2O = - 2.000H+ + 2.000H2(PO4)- + 1.000Zr+4 + 1.000H2O
log_k -27.080 #05BRO/CUR
delta_h -33.430 #kJ/mol
# Enthalpy of formation: -3466.1 #kJ/mol #05BRO/CUR
-analytic -3.29367E+1 0E+0 1.74617E+3 0E+0 0E+0
# -Vm 0
Zr(OH)4(am,aged)
Zr(OH)4 = - 4.000H+ + 1.000Zr+4 + 4.000H2O
log_k -5.550 #Recalculated from 04EKB/KAL in 05BRO/CUR
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: #kJ/mol
-analytic -5.55E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
Zr(OH)4(am,fresh)
Zr(OH)4 = - 4.000H+ + 1.000Zr+4 + 4.000H2O
log_k -3.240 #05BRO/CUR
delta_h -89.620 #kJ/mol
# Enthalpy of formation: -1662.2 #kJ/mol #05BRO/CUR
-analytic -1.89407E+1 0E+0 4.68117E+3 0E+0 0E+0
# -Vm 0
Zr(SO4)2(cr)
Zr(SO4)2 = 2.000SO4-2 + 1.000Zr+4
log_k 1.240
delta_h -181.980 #kJ/mol
# Enthalpy of formation: -2245.2 #kJ/mol #05BRO/CUR
-analytic -3.06415E+1 0E+0 9.50546E+3 0E+0 0E+0
# -Vm 0
Zr(SO4)2:4H2O(s)
Zr(SO4)2:4H2O = 2.000SO4-2 + 1.000Zr+4 + 4.000H2O
log_k -7.650
delta_h -99.600 #kJ/mol
# Enthalpy of formation: -3470.9 #kJ/mol #05BRO/CUR
-analytic -2.50991E+1 0E+0 5.20246E+3 0E+0 0E+0
# -Vm 0
Zr(cr)
Zr = 4.000e- + 1.000Zr+4
log_k 92.590
delta_h -608.500 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #05BRO/CUR
-analytic -1.40145E+1 0E+0 3.17841E+4 0E+0 0E+0
# -Vm 0
ZrBr4(cr)
ZrBr4 = 4.000Br- + 1.000Zr+4
log_k 38.520
delta_h -334.640 #kJ/mol
# Enthalpy of formation: -759.5 #kJ/mol #05BRO/CUR
-analytic -2.01063E+1 0E+0 1.74794E+4 0E+0 0E+0
# -Vm 0
ZrCl(s)
ZrCl = 3.000e- + 1.000Cl- + 1.000Zr+4
log_k 69.240
delta_h -484.380 #kJ/mol
# Enthalpy of formation: -291.2 #kJ/mol #05BRO/CUR
-analytic -1.56196E+1 0E+0 2.53009E+4 0E+0 0E+0
# -Vm 0
ZrCl2(s)
ZrCl2 = 2.000e- + 2.000Cl- + 1.000Zr+4
log_k 51.650
delta_h -399.860 #kJ/mol
# Enthalpy of formation: -542.8 #kJ/mol #05BRO/CUR
-analytic -1.84024E+1 0E+0 2.08861E+4 0E+0 0E+0
# -Vm 0
ZrCl3(s)
ZrCl3 = 1.000e- + 3.000Cl- + 1.000Zr+4
log_k 40.720
delta_h -349.640 #kJ/mol
# Enthalpy of formation: -760.1 #kJ/mol #05BRO/CUR
-analytic -2.05342E+1 0E+0 1.82629E+4 0E+0 0E+0
# -Vm 0
ZrCl4(s)
ZrCl4 = 4.000Cl- + 1.000Zr+4
log_k 28.600
delta_h -296.020 #kJ/mol
# Enthalpy of formation: -980.8 #kJ/mol #05BRO/CUR
-analytic -2.32604E+1 0E+0 1.54622E+4 0E+0 0E+0
# -Vm 0
ZrF2(s)
ZrF2 = 2.000e- + 2.000F- + 1.000Zr+4
log_k 32.610
delta_h -323.200 #kJ/mol
# Enthalpy of formation: -956 #kJ/mol #97VIS/COR
-analytic -2.40121E+1 0E+0 1.68819E+4 0E+0 0E+0
# -Vm 0
ZrF3(s)
ZrF3 = 1.000e- + 3.000F- + 1.000Zr+4
log_k 2.800
delta_h -181.550 #kJ/mol
# Enthalpy of formation: -1433 #kJ/mol #97VIS/COR
-analytic -2.90061E+1 0E+0 9.483E+3 0E+0 0E+0
# -Vm 0
ZrF4(beta)
ZrF4 = 4.000F- + 1.000Zr+4
log_k -27.250
delta_h -38.600 #kJ/mol
# Enthalpy of formation: -1911.3 #kJ/mol #05BRO/CUR
-analytic -3.40124E+1 0E+0 2.01622E+3 0E+0 0E+0
# -Vm 0
ZrI4(cr)
ZrI4 = 4.000I- + 1.000Zr+4
log_k 44.590
delta_h -346.720 #kJ/mol
# Enthalpy of formation: -488.9 #kJ/mol #05BRO/CUR
-analytic -1.61526E+1 0E+0 1.81104E+4 0E+0 0E+0
# -Vm 0
ZrO2(cr)
ZrO2 = - 4.000H+ + 1.000Zr+4 + 2.000H2O
log_k -7.000
delta_h -79.560 #kJ/mol
# Enthalpy of formation: -1100.6 #kJ/mol #05BRO/CUR
-analytic -2.09383E+1 0E+0 4.1557E+3 0E+0 0E+0
# -Vm 0
ZrSiO4(s)
ZrSiO4 = - 4.000H+ + 1.000H4(SiO4) + 1.000Zr+4
log_k -14.360
delta_h -35.494 #kJ/mol
# Enthalpy of formation: -2034.2 #kJ/mol #05BRO/CUR
-analytic -2.05783E+1 0E+0 1.85398E+3 0E+0 0E+0
# -Vm 0
illite-FeIII
K0.85Fe0.25Al2.6Si3.15O10(OH)2 = 0.850K+ + 0.250Fe+3 + 2.600Al+3 - 9.400H+ + 3.150H4(SiO4) - 0.600H2O
log_k 12.370
delta_h -262.282 #kJ/mol
# Enthalpy of formation: -5795.39 #kJ/mol #15BLA/VIE
-analytic -3.35798E+1 0E+0 1.36999E+4 0E+0 0E+0
-Vm 138.92
# PMATCH GASES
CH4(g)
CH4 = 10.000H+ + 8.000e- + 1.000CO3-2 - 3.000H2O
log_k -41.050
delta_h 257.133 #kJ/mol
# Enthalpy of formation: -74.873 #kJ/mol #98CHA
-analytic 3.9977E+0 0E+0 -1.3431E+4 0E+0 0E+0
# -Vm 0
CO(g)
CO = 4.000H+ + 2.000e- + 1.000CO3-2 - 2.000H2O
log_k -14.640
delta_h 6.960 #kJ/mol
# Enthalpy of formation: -110.53 #kJ/mol #89COX/WAG
-analytic -1.34207E+1 0E+0 -3.63546E+2 0E+0 0E+0
# -Vm 0
CO2(g)
CO2 = 2.000H+ + 1.000CO3-2 - 1.000H2O
log_k -18.150
delta_h 4.110 #kJ/mol
# Enthalpy of formation: -393.51 #kJ/mol #89COX/WAG
-analytic -1.743E+1 0E+0 -2.1468E+2 0E+0 0E+0
# -Vm 0
Cl2(g)
Cl2 = - 2.000e- + 2.000Cl-
log_k 45.980
delta_h -334.160 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic -1.25622E+1 0E+0 1.74544E+4 0E+0 0E+0
# -Vm 0
H2(g)
H2 = 2.000H+ + 2.000e-
log_k 0.000
# delta_h 0.000 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
# -Vm 0
H2O(g)
H2O = 2.000H+ + 2.000e- + 0.500O2
log_k -41.500
delta_h 235.759 #kJ/mol
# Enthalpy of formation: -241.826 #kJ/mol #89COX/WAG
-analytic -1.96857E-1 0E+0 -1.23145E+4 0E+0 0E+0
# -Vm 0
H2S(g)
H2S = 1.000H+ + 1.000HS-
log_k -8.000
delta_h 4.300 #kJ/mol
# Enthalpy of formation: -20.6 #kJ/mol #89COX/WAG
-analytic -7.24667E+0 0E+0 -2.24604E+2 0E+0 0E+0
# -Vm 0
HCl(g)
HCl = 1.000H+ + 1.000Cl-
log_k 6.290
delta_h -74.770 #kJ/mol
# Enthalpy of formation: -92.31 #kJ/mol #89COX/WAG
-analytic -6.80912E+0 0E+0 3.9055E+3 0E+0 0E+0
# -Vm 0
O2(g)
O2 = 1.000O2
log_k -2.900
delta_h -12.134 #kJ/mol
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
-analytic -5.02578E+0 0E+0 6.33802E+2 0E+0 0E+0
# -Vm 0
SO2(g)
SO2 = 2.000H+ + 1.000SO3-2 - 1.000H2O
log_k -8.940
delta_h -48.420 #kJ/mol
# Enthalpy of formation: -296.81 #kJ/mol #89COX/WAG
-analytic -1.74228E+1 0E+0 2.52915E+3 0E+0 0E+0
# -Vm 0
Reference in New Issue View Git Blame Copy Permalink