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iphreeqc/llnl.dat
Darth Vader f47551aabd Squashed 'database/' changes from 017185a7..26398a44 
26398a44 lsp of databases, changed alk of e- to 1.0 in all databases, modified sit.dat
1c2e59be Tony revised latest sit with lsp
1693e0c1 New version from Tony
5faf092b Tony revisions to phreeqc_rates.dat and rate_xmpls
0bcc9db0 Tony tweaked phreeqc_rates.dat and added rate_xmpls test case.

git-subtree-dir: database
git-subtree-split: 26398a442446dc31463fb08c3d1cd06df609b633
2024-05-20 17:29:37 +00:00

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# File 1 = C:\GitPrograms\phreeqc3-1\database\llnl.dat, 17/05/2024 14:23, 19306 lines, 776949 bytes, md5=efbcb7244fbe9063e0020cf5d1e00458
# Created 17 May 2024 14:30:38
# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "llnl.dat"
# $Id: llnl.dat 12758 2017-08-01 22:09:36Z dlpark $
#Data are from 'thermo.com.V8.R6.230' prepared by Jim Johnson at
#Lawrence Livermore National Laboratory, in Geochemist's Workbench
#format. Converted to Phreeqc format by Greg Anderson with help from
#David Parkhurst. A few organic species have been omitted.
#Delta H of reaction calculated from Delta H of formations given in
#thermo.com.V8.R6.230 (8 Mar 2000).
#Note that species have various valid temperature ranges, noted in
#the Range parameter. However, Phreeqc at present makes no use of
#this parameter, so it is the user's responsibility to remain in the
#valid temperature range for all the data used.
#This version is relatively untested. Kindly send comments or
#corrections to Greg Anderson at greg@geology.utoronto.ca.
LLNL_AQUEOUS_MODEL_PARAMETERS
-temperatures
0.01 25 60 100
150 200 250 300
#debye huckel a (adh)
-dh_a
0.4939 0.5114 0.5465 0.5995
0.6855 0.7994 0.9593 1.218
#debye huckel b (bdh)
-dh_b
0.3253 0.3288 0.3346 0.3421
0.3525 0.3639 0.3766 0.3925
-bdot
0.0374 0.041 0.0438 0.046
0.047 0.047 0.034 0
#cco2 (coefficients for the Drummond (1981) polynomial)
-co2_coefs
-1.0312 0.0012806
255.9 0.4445
-0.001606
NAMED_EXPRESSIONS
#
# formation of O2 from H2O
# 2H2O = O2 + 4H+ + 4e-
#
Log_K_O2
log_k -85.9951
-delta_H 559.543 kJ/mol # Calculated enthalpy of reaction O2
# Enthalpy of formation: -2.9 kcal/mol
-analytic 38.0229 7.99407E-3 -2.7655e+4 -1.4506e+1 199838.45
# Range: 0-300
SOLUTION_MASTER_SPECIES
#element species alk gfw_formula element_gfw
Acetate HAcetate 0 Acetate 59
Ag Ag+ 0 Ag 107.8682
Ag(1) Ag+ 0 Ag
Ag(2) Ag+2 0 Ag
Al Al+3 0 Al 26.9815
Alkalinity HCO3- 1 Ca0.5(CO3)0.5 50.05
Am Am+3 0 Am 243
Am(+2) Am+2 0 Am
Am(+3) Am+3 0 Am
Am(+4) Am+4 0 Am
Am(+5) AmO2+ 0 Am
Am(+6) AmO2+2 0 Am
Ar Ar 0 Ar 39.948
As H2AsO4- 0 As 74.9216
As(-3) AsH3 0 As
As(+3) H2AsO3- 0 As
As(+5) H2AsO4- 0 As
Au Au+ 0 Au 196.9665
Au(+1) Au+ 0 Au
Au(+3) Au+3 0 Au
#B H3BO3 0.0 B 10.811
B B(OH)3 0 B 10.811
B(3) B(OH)3 0 B
B(-5) BH4- 0 B
Ba Ba+2 0 Ba 137.327
Be Be+2 0 Be 9.0122
Br Br- 0 Br 79.904
Br(-03) Br3- 0 Br
Br(-1) Br- 0 Br
Br(0) Br2 0 Br
Br(1) BrO- 0 Br
Br(5) BrO3- 0 Br
Br(7) BrO4- 0 Br
C(-4) CH4 0 CH4
C(-3) C2H6 0 C2H6
C(-2) C2H4 0 C2H4
C HCO3- 1 HCO3 12.011
C(+2) CO 0 C
C(+4) HCO3- 1 HCO3
Ca Ca+2 0 Ca 40.078
Cyanide Cyanide- 1 CN 26
Cd Cd+2 0 Cd 112.411
Ce Ce+3 0 Ce 140.115
Ce(+2) Ce+2 0 Ce
Ce(+3) Ce+3 0 Ce
Ce(+4) Ce+4 0 Ce
Cl Cl- 0 Cl 35.4527
Cl(-1) Cl- 0 Cl
Cl(1) ClO- 0 Cl
Cl(3) ClO2- 0 Cl
Cl(5) ClO3- 0 Cl
Cl(7) ClO4- 0 Cl
Co Co+2 0 Co 58.9332
Co(+2) Co+2 0 Co
Co(+3) Co+3 0 Co
Cr CrO4-2 0 CrO4-2 51.9961
Cr(+2) Cr+2 0 Cr
Cr(+3) Cr+3 0 Cr
Cr(+5) CrO4-3 0 Cr
Cr(+6) CrO4-2 0 Cr
Cs Cs+ 0 Cs 132.9054
Cu Cu+2 0 Cu 63.546
Cu(+1) Cu+1 0 Cu
Cu(+2) Cu+2 0 Cu
Dy Dy+3 0 Dy 162.5
Dy(+2) Dy+2 0 Dy
Dy(+3) Dy+3 0 Dy
E e- 1 0 0
Er Er+3 0 Er 167.26
Er(+2) Er+2 0 Er
Er(+3) Er+3 0 Er
Ethylene Ethylene 0 Ethylene 28.0536
Eu Eu+3 0 Eu 151.965
Eu(+2) Eu+2 0 Eu
Eu(+3) Eu+3 0 Eu
F F- 0 F 18.9984
Fe Fe+2 0 Fe 55.847
Fe(+2) Fe+2 0 Fe
Fe(+3) Fe+3 -2 Fe
Ga Ga+3 0 Ga 69.723
Gd Gd+3 0 Gd 157.25
Gd(+2) Gd+2 0 Gd
Gd(+3) Gd+3 0 Gd
H H+ -1 H 1.0079
H(0) H2 0 H
H(+1) H+ -1 0
He He 0 He 4.0026
He(0) He 0 He
Hf Hf+4 0 Hf 178.49
Hg Hg+2 0 Hg 200.59
Hg(+1) Hg2+2 0 Hg
Hg(+2) Hg+2 0 Hg
Ho Ho+3 0 Ho 164.9303
Ho(+2) Ho+2 0 Ho
Ho(+3) Ho+3 0 Ho
I I- 0 I 126.9045
I(-03) I3- 0 I
I(-1) I- 0 I
I(+1) IO- 0 I
I(+5) IO3- 0 I
I(+7) IO4- 0 I
In In+3 0 In 114.82
K K+ 0 K 39.0983
Kr Kr 0 Kr 83.8
Kr(0) Kr 0 Kr
La La+3 0 La 138.9055
La(2) La+2 0 La
La(3) La+3 0 La
Li Li+ 0 Li 6.941
Lu Lu+3 0 Lu 174.967
Mg Mg+2 0 Mg 24.305
Mn Mn+2 0 Mn 54.938
Mn(+2) Mn+2 0 Mn
Mn(+3) Mn+3 0 Mn
Mn(+6) MnO4-2 0 Mn
Mn(+7) MnO4- 0 Mn
Mo MoO4-2 0 Mo 95.94
N NH3 1 N 14.0067
N(-3) NH3 1 N
N(-03) N3- 0 N
N(0) N2 0 N
N(+3) NO2- 0 N
N(+5) NO3- 0 N
Na Na+ 0 Na 22.9898
Nd Nd+3 0 Nd 144.24
Nd(+2) Nd+2 0 Nd
Nd(+3) Nd+3 0 Nd
Ne Ne 0 Ne 20.1797
#Ne(0) Ne 0.0 Ne
Ni Ni+2 0 Ni 58.69
Np Np+4 0 Np 237.048
Np(+3) Np+3 0 Np
Np(+4) Np+4 0 Np
Np(+5) NpO2+ 0 Np
Np(+6) NpO2+2 0 Np
O H2O 0 O 15.994
O(-2) H2O 0 0
O(0) O2 0 O
O_phthalate O_phthalate-2 0 1 1
P HPO4-2 2 P 30.9738
P(-3) PH4+ 0 P
P(5) HPO4-2 2 P
Pb Pb+2 0 Pb 207.2
Pb(+2) Pb+2 0 Pb
Pb(+4) Pb+4 0 Pb
Pd Pd+2 0 Pd 106.42
Pm Pm+3 0 Pm 147
Pm(+2) Pm+2 0 Pm
Pm(+3) Pm+3 0 Pm
Pr Pr+3 0 Pr 140.9076
Pr(+2) Pr+2 0 Pr
Pr(+3) Pr+3 0 Pr
Pu Pu+4 0 Pu 244
Pu(+3) Pu+3 0 Pu
Pu(+4) Pu+4 0 Pu
Pu(+5) PuO2+ 0 Pu
Pu(+6) PuO2+2 0 Pu
Ra Ra+2 0 Ra 226.025
Rb Rb+ 0 Rb 85.4678
Re ReO4- 0 Re 186.207
Rn Rn 0 Rn 222
Ru RuO4-2 0 Ru 101.07
Ru(+2) Ru+2 0 Ru
Ru(+3) Ru+3 0 Ru
Ru(+4) Ru(OH)2+2 0 Ru
Ru(+6) RuO4-2 0 Ru
Ru(+7) RuO4- 0 Ru
Ru(+8) RuO4 0 Ru
S SO4-2 0 SO4 32.066
S(-2) HS- 1 S
S(+2) S2O3-2 0 S
S(+3) S2O4-2 0 S
S(+4) SO3-2 0 S
S(+5) S2O5-2 0 S
S(+6) SO4-2 0 SO4
S(+7) S2O8-2 0 S
S(+8) HSO5- 0 S
Sb Sb(OH)3 0 Sb 121.75
Sc Sc+3 0 Sc 44.9559
Se SeO3-2 0 Se 78.96
Se(-2) HSe- 0 Se
Se(+4) SeO3-2 0 Se
Se(+6) SeO4-2 0 Se
Si SiO2 0 SiO2 28.0855
Sm Sm+3 0 Sm 150.36
Sm(+2) Sm+2 0 Sm
Sm(+3) Sm+3 0 Sm
Sn Sn+2 0 Sn 118.71
Sn(+2) Sn+2 0 Sn
Sn(+4) Sn+4 0 Sn
Sr Sr+2 0 Sr 87.62
Tb Tb+3 0 Tb 158.9253
Tb(+2) Tb+2 0 Tb
Tb(+3) Tb+3 0 Tb
Tc TcO4- 0 Tc 98
Tc(+3) Tc+3 0 Tc
Tc(+4) TcO+2 0 Tc
Tc(+5) TcO4-3 0 Tc
Tc(+6) TcO4-2 0 Tc
Tc(+7) TcO4- 0 Tc
Thiocyanate Thiocyanate- 0 SCN 58
Th Th+4 0 Th 232.0381
Ti Ti(OH)4 0 Ti 47.88
Tl Tl+ 0 Tl 204.3833
Tl(+1) Tl+ 0 Tl
Tl(+3) Tl+3 0 Tl
Tm Tm+3 0 Tm 168.9342
Tm(+2) Tm+2 0 Tm
Tm(+3) Tm+3 0 Tm
U UO2+2 0 U 238.0289
U(+3) U+3 0 U
U(+4) U+4 0 U
U(+5) UO2+ 0 U
U(+6) UO2+2 0 U
V VO+2 0 V 50.9415
V(+3) V+3 0 V
V(+4) VO+2 0 V
V(+5) VO2+ 0 V
W WO4-2 0 W 183.85
Xe Xe 0 Xe 131.29
Xe(0) Xe 0 Xe
Y Y+3 0 Y 88.9059
Yb Yb+3 0 Yb 173.04
Yb(+2) Yb+2 0 Yb
Yb(+3) Yb+3 0 Yb
Zn Zn+2 0 Zn 65.39
Zr Zr(OH)2+2 0 Zr 91.224
SOLUTION_SPECIES
HAcetate = HAcetate
-llnl_gamma 3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction HAcetate
# Enthalpy of formation: -116.1 kcal/mol
Ag+ = Ag+
-llnl_gamma 2.5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ag+
# Enthalpy of formation: 25.275 kcal/mol
Al+3 = Al+3
-llnl_gamma 9
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Al+3
# Enthalpy of formation: -128.681 kcal/mol
Am+3 = Am+3
-llnl_gamma 5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Am+3
# Enthalpy of formation: -616.7 kJ/mol
Ar = Ar
-llnl_gamma 3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ar
# Enthalpy of formation: -2.87 kcal/mol
Au+ = Au+
-llnl_gamma 4
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Au+
# Enthalpy of formation: 47.58 kcal/mol
B(OH)3 = B(OH)3
-llnl_gamma 3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction B(OH)3
# Enthalpy of formation: -256.82 kcal/mol
Ba+2 = Ba+2
-llnl_gamma 5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ba+2
# Enthalpy of formation: -128.5 kcal/mol
Be+2 = Be+2
-llnl_gamma 8
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Be+2
# Enthalpy of formation: -91.5 kcal/mol
Br- = Br-
-llnl_gamma 3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Br-
# Enthalpy of formation: -29.04 kcal/mol
Ca+2 = Ca+2
-llnl_gamma 6
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ca+2
# Enthalpy of formation: -129.8 kcal/mol
Cd+2 = Cd+2
-llnl_gamma 5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Cd+2
# Enthalpy of formation: -18.14 kcal/mol
Ce+3 = Ce+3
-llnl_gamma 9
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ce+3
# Enthalpy of formation: -167.4 kcal/mol
Cl- = Cl-
-llnl_gamma 3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Cl-
# Enthalpy of formation: -39.933 kcal/mol
Co+2 = Co+2
-llnl_gamma 6
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Co+2
# Enthalpy of formation: -13.9 kcal/mol
CrO4-2 = CrO4-2
-llnl_gamma 4
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction CrO4-2
# Enthalpy of formation: -210.6 kcal/mol
Cs+ = Cs+
-llnl_gamma 2.5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Cs+
# Enthalpy of formation: -61.67 kcal/mol
Cu+2 = Cu+2
-llnl_gamma 6
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Cu+2
# Enthalpy of formation: 15.7 kcal/mol
Dy+3 = Dy+3
-llnl_gamma 5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Dy+3
# Enthalpy of formation: -166.5 kcal/mol
e- = e-
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction e-
# Enthalpy of formation: -0 kJ/mol
Er+3 = Er+3
-llnl_gamma 5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Er+3
# Enthalpy of formation: -168.5 kcal/mol
Ethylene = Ethylene
-llnl_gamma 3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ethylene
# Enthalpy of formation: 8.57 kcal/mol
Eu+3 = Eu+3
-llnl_gamma 5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Eu+3
# Enthalpy of formation: -144.7 kcal/mol
F- = F-
-llnl_gamma 3.5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction F-
# Enthalpy of formation: -80.15 kcal/mol
Fe+2 = Fe+2
-llnl_gamma 6
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Fe+2
# Enthalpy of formation: -22.05 kcal/mol
Ga+3 = Ga+3
-llnl_gamma 5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ga+3
# Enthalpy of formation: -50.6 kcal/mol
Gd+3 = Gd+3
-llnl_gamma 5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Gd+3
# Enthalpy of formation: -164.2 kcal/mol
H+ = H+
-llnl_gamma 9
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction H+
# Enthalpy of formation: -0 kJ/mol
He = He
-llnl_gamma 3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction He
# Enthalpy of formation: -0.15 kcal/mol
H2AsO4- = H2AsO4-
-llnl_gamma 4
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction H2AsO4-
# Enthalpy of formation: -217.39 kcal/mol
HCO3- = HCO3-
-llnl_gamma 4
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction HCO3-
# Enthalpy of formation: -164.898 kcal/mol
HPO4-2 = HPO4-2
-llnl_gamma 4
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction HPO4-2
# Enthalpy of formation: -308.815 kcal/mol
Hf+4 = Hf+4
log_k 0
-delta_H 0 # Not possible to calculate enthalpy of reaction Hf+4
# Enthalpy of formation: -0 kcal/mol
Hg+2 = Hg+2
-llnl_gamma 5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Hg+2
# Enthalpy of formation: 40.67 kcal/mol
Ho+3 = Ho+3
-llnl_gamma 5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ho+3
# Enthalpy of formation: -169 kcal/mol
I- = I-
-llnl_gamma 3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction I-
# Enthalpy of formation: -13.6 kcal/mol
In+3 = In+3
-llnl_gamma 9
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction In+3
# Enthalpy of formation: -25 kcal/mol
K+ = K+
-llnl_gamma 3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction K+
# Enthalpy of formation: -60.27 kcal/mol
Kr = Kr
-llnl_gamma 3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Kr
# Enthalpy of formation: -3.65 kcal/mol
La+3 = La+3
-llnl_gamma 9
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction La+3
# Enthalpy of formation: -169.6 kcal/mol
Li+ = Li+
-llnl_gamma 6
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Li+
# Enthalpy of formation: -66.552 kcal/mol
Lu+3 = Lu+3
-llnl_gamma 5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Lu+3
# Enthalpy of formation: -167.9 kcal/mol
Mg+2 = Mg+2
-llnl_gamma 8
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Mg+2
# Enthalpy of formation: -111.367 kcal/mol
Mn+2 = Mn+2
-llnl_gamma 6
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Mn+2
# Enthalpy of formation: -52.724 kcal/mol
MoO4-2 = MoO4-2
-llnl_gamma 4.5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction MoO4-2
# Enthalpy of formation: -238.5 kcal/mol
NH3 = NH3
-llnl_gamma 3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction NH3
# Enthalpy of formation: -19.44 kcal/mol
Na+ = Na+
-llnl_gamma 4
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Na+
# Enthalpy of formation: -57.433 kcal/mol
Nd+3 = Nd+3
-llnl_gamma 9
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Nd+3
# Enthalpy of formation: -166.5 kcal/mol
Ne = Ne
-llnl_gamma 3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ne
# Enthalpy of formation: -0.87 kcal/mol
Ni+2 = Ni+2
-llnl_gamma 6
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ni+2
# Enthalpy of formation: -12.9 kcal/mol
Np+4 = Np+4
-llnl_gamma 5.5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Np+4
# Enthalpy of formation: -556.001 kJ/mol
H2O = H2O
-llnl_gamma 3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction H2O
# Enthalpy of formation: -68.317 kcal/mol
O_phthalate-2 = O_phthalate-2
-llnl_gamma 4
log_k 0
-delta_H 0 # Not possible to calculate enthalpy of reaction O_phthalate-2
# Enthalpy of formation: -0 kcal/mol
Pb+2 = Pb+2
-llnl_gamma 4.5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Pb+2
# Enthalpy of formation: 0.22 kcal/mol
Pd+2 = Pd+2
-llnl_gamma 4.5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Pd+2
# Enthalpy of formation: 42.08 kcal/mol
Pm+3 = Pm+3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Pm+3
# Enthalpy of formation: -688 kJ/mol
Pr+3 = Pr+3
-llnl_gamma 9
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Pr+3
# Enthalpy of formation: -168.8 kcal/mol
Pu+4 = Pu+4
-llnl_gamma 5.5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Pu+4
# Enthalpy of formation: -535.893 kJ/mol
Ra+2 = Ra+2
-llnl_gamma 5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ra+2
# Enthalpy of formation: -126.1 kcal/mol
Rb+ = Rb+
-llnl_gamma 2.5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Rb+
# Enthalpy of formation: -60.02 kcal/mol
ReO4- = ReO4-
-llnl_gamma 4
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction ReO4-
# Enthalpy of formation: -188.2 kcal/mol
Rn = Rn
-llnl_gamma 3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Rn
# Enthalpy of formation: -5 kcal/mol
RuO4-2 = RuO4-2
-llnl_gamma 4
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction RuO4-2
# Enthalpy of formation: -457.075 kJ/mol
SO4-2 = SO4-2
-llnl_gamma 4
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction SO4-2
# Enthalpy of formation: -217.4 kcal/mol
Sb(OH)3 = Sb(OH)3
-llnl_gamma 3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Sb(OH)3
# Enthalpy of formation: -773.789 kJ/mol
Sc+3 = Sc+3
-llnl_gamma 9
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Sc+3
# Enthalpy of formation: -146.8 kcal/mol
SeO3-2 = SeO3-2
-llnl_gamma 4
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction SeO3-2
# Enthalpy of formation: -121.7 kcal/mol
SiO2 = SiO2
-llnl_gamma 3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction SiO2
# Enthalpy of formation: -209.775 kcal/mol
Sm+3 = Sm+3
-llnl_gamma 9
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Sm+3
# Enthalpy of formation: -165.2 kcal/mol
Sn+2 = Sn+2
-llnl_gamma 6
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Sn+2
# Enthalpy of formation: -2.1 kcal/mol
Sr+2 = Sr+2
-llnl_gamma 5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Sr+2
# Enthalpy of formation: -131.67 kcal/mol
Tb+3 = Tb+3
-llnl_gamma 5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Tb+3
# Enthalpy of formation: -166.9 kcal/mol
TcO4- = TcO4-
-llnl_gamma 4
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction TcO4-
# Enthalpy of formation: -716.269 kJ/mol
Th+4 = Th+4
-llnl_gamma 11
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Th+4
# Enthalpy of formation: -183.8 kcal/mol
Ti(OH)4 = Ti(OH)4
-llnl_gamma 3
log_k 0
-delta_H 0 # Not possible to calculate enthalpy of reaction Ti(OH)4
# Enthalpy of formation: -0 kcal/mol
Tl+ = Tl+
-llnl_gamma 2.5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Tl+
# Enthalpy of formation: 1.28 kcal/mol
Tm+3 = Tm+3
-llnl_gamma 5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Tm+3
# Enthalpy of formation: -168.5 kcal/mol
UO2+2 = UO2+2
-llnl_gamma 4.5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction UO2+2
# Enthalpy of formation: -1019 kJ/mol
VO+2 = VO+2
-llnl_gamma 4.5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction VO+2
# Enthalpy of formation: -116.3 kcal/mol
WO4-2 = WO4-2
-llnl_gamma 5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction WO4-2
# Enthalpy of formation: -257.1 kcal/mol
Xe = Xe
-llnl_gamma 3
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Xe
# Enthalpy of formation: -4.51 kcal/mol
Y+3 = Y+3
-llnl_gamma 9
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Y+3
# Enthalpy of formation: -170.9 kcal/mol
Yb+3 = Yb+3
-llnl_gamma 5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Yb+3
# Enthalpy of formation: -160.3 kcal/mol
Zn+2 = Zn+2
-llnl_gamma 6
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Zn+2
# Enthalpy of formation: -36.66 kcal/mol
Zr(OH)2+2 = Zr(OH)2+2
-llnl_gamma 4.5
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Zr(OH)2+2
# Enthalpy of formation: -260.717 kcal/mol
2 H2O = O2 + 4 H+ + 4 e-
-CO2_llnl_gamma
log_k -85.9951
-delta_H 559.543 kJ/mol # Calculated enthalpy of reaction O2
# Enthalpy of formation: -2.9 kcal/mol
-analytic 38.0229 7.99407E-3 -2.7655e+4 -1.4506e+1 199838.45
# Range: 0-300
SO4-2 + H+ = HS- + 2 O2
-llnl_gamma 3.5
log_k -138.3169
-delta_H 869.226 kJ/mol # Calculated enthalpy of reaction HS-
# Enthalpy of formation: -3.85 kcal/mol
-analytic 2.6251e+1 3.9525e-2 -4.5443e+4 -1.1107e+1 3.1843e+5
# -Range: 0-300
.5 O2 + 2 HS- = S2-2 + H2O
#2 HS- = S2-- +2 H+ + 2e-
-llnl_gamma 4
log_k 33.2673
-delta_H 0 # Not possible to calculate enthalpy of reaction S2-2
# Enthalpy of formation: -0 kcal/mol
-analytic 0.2173E+2 -0.12307E-2 0.10098E+5 -0.88813E+1 0.15757E+3
-mass_balance S(-2)2
# -Range: 0-300
# -add_logk Log_K_O2 0.5
2 H+ + 2 SO3-2 = S2O3-2 + O2 + H2O
-llnl_gamma 4
log_k -40.2906
-delta_H 0 # Not possible to calculate enthalpy of reaction S2O3-2
# Enthalpy of formation: -0 kcal/mol
-analytic 0.77679E+2 0.65761E-1 -0.15438E+5 -0.34651E+2 -0.24092E+3
# -Range: 0-300
H+ + Ag+ + 0.25 O2 = Ag+2 + 0.5 H2O
-llnl_gamma 4.5
log_k -12.1244
-delta_H 22.9764 kJ/mol # Calculated enthalpy of reaction Ag+2
# Enthalpy of formation: 64.2 kcal/mol
-analytic -4.7312e+1 -1.5239e-2 -4.1954e+2 1.6622e+1 -6.5328e+0
# -Range: 0-300
Am+3 + 0.5 H2O = Am+2 + H+ + 0.25 O2
-llnl_gamma 4.5
log_k -60.3792
-delta_H 401.953 kJ/mol # Calculated enthalpy of reaction Am+2
# Enthalpy of formation: -354.633 kJ/mol
-analytic 1.4922e+1 3.5993e-3 -2.0987e+4 -2.4146e+0 -3.2749e+2
# -Range: 0-300
H+ + Am+3 + 0.25 O2 = Am+4 + 0.5 H2O
-llnl_gamma 5.5
log_k -22.7073
-delta_H 70.8142 kJ/mol # Calculated enthalpy of reaction Am+4
# Enthalpy of formation: -406 kJ/mol
-analytic -1.746e+1 -2.2336e-3 -3.5139e+3 2.9102e+0 -5.4826e+1
# -Range: 0-300
H2O + Am+3 + 0.5 O2 = AmO2+ + 2 H+
-llnl_gamma 4
log_k -15.384
-delta_H 104.345 kJ/mol # Calculated enthalpy of reaction AmO2+
# Enthalpy of formation: -804.26 kJ/mol
-analytic 1.411e+1 6.9728e-3 -4.2098e+3 -6.0936e+0 -2.1192e+5
# -Range: 0-300
Am+3 + 0.75 O2 + 0.5 H2O = AmO2+2 + H+
-llnl_gamma 4.5
log_k -20.862
-delta_H 117.959 kJ/mol # Calculated enthalpy of reaction AmO2+2
# Enthalpy of formation: -650.76 kJ/mol
-analytic 5.7163e+1 4.0278e-3 -8.4633e+3 -2.055e+1 -1.3208e+2
# -Range: 0-300
H2AsO4- + H+ = AsH3 + 2 O2
-llnl_gamma 3
log_k -155.1907
-delta_H 931.183 kJ/mol # Calculated enthalpy of reaction AsH3
# Enthalpy of formation: 10.968 kcal/mol
-analytic 2.831e+2 9.6961e-2 -5.483e+4 -1.1449e+2 -9.3119e+2
# -Range: 0-200
2 H+ + Au+ + 0.5 O2 = Au+3 + H2O
-llnl_gamma 5
log_k -4.3506
-delta_H -73.2911 kJ/mol # Calculated enthalpy of reaction Au+3
# Enthalpy of formation: 96.93 kcal/mol
-analytic -6.8661e+1 -2.6838e-2 4.4549e+3 2.3178e+1 6.9534e+1
# -Range: 0-300
H2O + B(OH)3 = BH4- + 2 O2 + H+
-llnl_gamma 4
log_k -237.1028
-delta_H 1384.24 kJ/mol # Calculated enthalpy of reaction BH4-
# Enthalpy of formation: 48.131 kJ/mol
-analytic -7.493e+1 -7.2794e-3 -6.9168e+4 2.9105e+1 -1.0793e+3
# -Range: 0-300
3 Br- + 2 H+ + 0.5 O2 = Br3- + H2O
-llnl_gamma 4
log_k 7.0696
-delta_H -45.6767 kJ/mol # Calculated enthalpy of reaction Br3-
# Enthalpy of formation: -31.17 kcal/mol
-analytic 1.4899e+2 6.4017e-2 -3.3831e+2 -6.4596e+1 -5.3232e+0
# -Range: 0-300
Br- + 0.5 O2 = BrO-
-llnl_gamma 4
log_k -10.9167
-delta_H 33.4302 kJ/mol # Calculated enthalpy of reaction BrO-
# Enthalpy of formation: -22.5 kcal/mol
-analytic 5.4335e+1 1.9509e-3 -4.286e+3 -2.0799e+1 -6.6896e+1
# -Range: 0-300
1.5 O2 + Br- = BrO3-
-llnl_gamma 3.5
log_k -17.1443
-delta_H 72.6342 kJ/mol # Calculated enthalpy of reaction BrO3-
# Enthalpy of formation: -16.03 kcal/mol
-analytic 3.7156e+1 -4.7855e-3 -4.6208e+3 -1.4136e+1 -2.1385e+5
# -Range: 0-300
2 O2 + Br- = BrO4-
-llnl_gamma 4
log_k -33.104
-delta_H 158.741 kJ/mol # Calculated enthalpy of reaction BrO4-
# Enthalpy of formation: 3.1 kcal/mol
-analytic 8.1393e+1 -2.3409e-3 -1.229e+4 -2.9336e+1 -1.918e+2
# -Range: 0-300
# 1.0000 NH3 + 1.0000 HCO3- = CN- +2.0000 H2O +0.5000 O2
# -llnl_gamma 3.0
# log_k -56.0505
# -delta_H 344.151 kJ/mol # Calculated enthalpy of reaction CN-
# # Enthalpy of formation: 36 kcal/mol
# -analytic -1.1174e+001 3.8167e-003 -1.7063e+004 4.5349e+000 -2.6625e+002
# # -Range: 0-300
Cyanide- = Cyanide-
log_k 0
H+ + HCO3- + H2O = CH4 + 2 O2
-llnl_gamma 3
log_k -144.1412
-delta_H 863.599 kJ/mol # Calculated enthalpy of reaction CH4
# Enthalpy of formation: -21.01 kcal/mol
-analytic -0.41698E+2 0.36584E-1 -0.40675E+5 0.93479E+1 -0.63468E+3
# -Range: 0-300
2 H+ + 2 HCO3- + H2O = C2H6 + 3.5 O2
-llnl_gamma 3
log_k -228.6072
-delta_H 0 # Not possible to calculate enthalpy of reaction C2H6
# Enthalpy of formation: -0 kcal/mol
-analytic -0.10777E+2 0.72105E-1 -0.67489E+5 -0.13915E+2 -0.10531E+4
# -Range: 0-300
2 H+ + 2 HCO3- = C2H4 + 3 O2
-llnl_gamma 3
log_k -254.5034
-delta_H 1446.6 kJ/mol # Calculated enthalpy of reaction C2H4
# Enthalpy of formation: 24.65 kcal/mol
-analytic -0.30329E+2 0.71187E-1 -0.7314E+5 0E+0 0E+0
# -Range: 0-300
HCO3- + H+ = CO + H2O + 0.5 O2
-llnl_gamma 3
log_k -41.7002
-delta_H 277.069 kJ/mol # Calculated enthalpy of reaction CO
# Enthalpy of formation: -28.91 kcal/mol
-analytic 1.0028e+2 4.6877e-2 -1.8062e+4 -4.0263e+1 3.8031e+5
# -Range: 0-300
Ce+3 + 0.5 H2O = Ce+2 + H+ + 0.25 O2
-llnl_gamma 4.5
log_k -83.6754
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce+2
# Enthalpy of formation: -0 kcal/mol
H+ + Ce+3 + 0.25 O2 = Ce+4 + 0.5 H2O
-llnl_gamma 5.5
log_k -7.9154
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce+4
# Enthalpy of formation: -0 kcal/mol
Cl- + 0.5 O2 = ClO-
-llnl_gamma 4
log_k -15.1014
-delta_H 66.0361 kJ/mol # Calculated enthalpy of reaction ClO-
# Enthalpy of formation: -25.6 kcal/mol
-analytic 6.1314e+1 3.4812e-3 -6.0952e+3 -2.3043e+1 -9.5128e+1
# -Range: 0-300
O2 + Cl- = ClO2-
-llnl_gamma 4
log_k -23.108
-delta_H 112.688 kJ/mol # Calculated enthalpy of reaction ClO2-
# Enthalpy of formation: -15.9 kcal/mol
-analytic 3.3638e+0 -6.1675e-3 -4.9726e+3 -2.0467e+0 -2.5769e+5
# -Range: 0-300
1.5 O2 + Cl- = ClO3-
-llnl_gamma 3.5
log_k -17.2608
-delta_H 81.3077 kJ/mol # Calculated enthalpy of reaction ClO3-
# Enthalpy of formation: -24.85 kcal/mol
-analytic 2.8852e+1 -4.8281e-3 -4.6779e+3 -1.0772e+1 -2.0783e+5
# -Range: 0-300
2 O2 + Cl- = ClO4-
-llnl_gamma 3.5
log_k -15.7091
-delta_H 62.0194 kJ/mol # Calculated enthalpy of reaction ClO4-
# Enthalpy of formation: -30.91 kcal/mol
-analytic 7.028e+1 -6.8927e-5 -5.569e+3 -2.6446e+1 -1.6596e+5
# -Range: 0-300
H+ + Co+2 + 0.25 O2 = Co+3 + 0.5 H2O
-llnl_gamma 5
log_k -11.4845
-delta_H 10.3198 kJ/mol # Calculated enthalpy of reaction Co+3
# Enthalpy of formation: 22 kcal/mol
-analytic -2.2827e+1 -1.2222e-2 -7.2117e+2 7.0306e+0 -1.1247e+1
# -Range: 0-300
4 H+ + CrO4-2 = Cr+2 + 2 H2O + O2
-llnl_gamma 4.5
log_k -21.6373
-delta_H 153.829 kJ/mol # Calculated enthalpy of reaction Cr+2
# Enthalpy of formation: -34.3 kcal/mol
-analytic 6.9003e+1 6.2884e-2 -6.9847e+3 -3.472e+1 -1.0901e+2
# -Range: 0-300
5 H+ + CrO4-2 = Cr+3 + 2.5 H2O + 0.75 O2
-llnl_gamma 9
log_k 8.3842
-delta_H -81.0336 kJ/mol # Calculated enthalpy of reaction Cr+3
# Enthalpy of formation: -57 kcal/mol
-analytic 5.1963e+1 6.0932e-2 5.4256e+3 -3.229e+1 8.4645e+1
# -Range: 0-300
0.5 H2O + CrO4-2 = CrO4-3 + H+ + 0.25 O2
-llnl_gamma 4
log_k -19.7709
-delta_H 0 # Not possible to calculate enthalpy of reaction CrO4-3
# Enthalpy of formation: -0 kcal/mol
Cu+2 + 0.5 H2O = Cu+ + H+ + 0.25 O2
-llnl_gamma 4
log_k -18.7704
-delta_H 145.877 kJ/mol # Calculated enthalpy of reaction Cu+
# Enthalpy of formation: 17.132 kcal/mol
-analytic 3.7909e+1 1.3731e-2 -8.1506e+3 -1.3508e+1 -1.2719e+2
# -Range: 0-300
Dy+3 + 0.5 H2O = Dy+2 + H+ + 0.25 O2
-llnl_gamma 4.5
log_k -61.0754
-delta_H 0 # Not possible to calculate enthalpy of reaction Dy+2
# Enthalpy of formation: -0 kcal/mol
Er+3 + 0.5 H2O = Er+2 + H+ + 0.25 O2
-llnl_gamma 4.5
log_k -70.1754
-delta_H 0 # Not possible to calculate enthalpy of reaction Er+2
# Enthalpy of formation: -0 kcal/mol
Eu+3 + 0.5 H2O = Eu+2 + H+ + 0.25 O2
-llnl_gamma 4.5
log_k -27.5115
-delta_H 217.708 kJ/mol # Calculated enthalpy of reaction Eu+2
# Enthalpy of formation: -126.1 kcal/mol
-analytic 3.03e+1 1.4126e-2 -1.2319e+4 -9.0585e+0 1.5289e+5
# -Range: 0-300
H+ + Fe+2 + 0.25 O2 = Fe+3 + 0.5 H2O
-llnl_gamma 9
log_k 8.4899
-delta_H -97.209 kJ/mol # Calculated enthalpy of reaction Fe+3
# Enthalpy of formation: -11.85 kcal/mol
-analytic -1.7808e+1 -1.1753e-2 4.7609e+3 5.5866e+0 7.4295e+1
# -Range: 0-300
Gd+3 + 0.5 H2O = Gd+2 + H+ + 0.25 O2
-llnl_gamma 4.5
log_k -84.6754
-delta_H 0 # Not possible to calculate enthalpy of reaction Gd+2
# Enthalpy of formation: -0 kcal/mol
H2O = H2 + 0.5 O2
-CO2_llnl_gamma
log_k -46.1066
-delta_H 275.588 kJ/mol # Calculated enthalpy of reaction H2
# Enthalpy of formation: -1 kcal/mol
-analytic 6.6835e+1 1.7172e-2 -1.8849e+4 -2.4092e+1 4.2501e+5
# -Range: 0-300
H2AsO4- = H2AsO3- + 0.5 O2
-llnl_gamma 4
log_k -30.5349
-delta_H 188.698 kJ/mol # Calculated enthalpy of reaction H2AsO3-
# Enthalpy of formation: -170.84 kcal/mol
-analytic 7.4245e+1 1.4885e-2 -1.4218e+4 -2.6403e+1 3.3822e+5
# -Range: 0-300
SO4-2 + H+ + 0.5 O2 = HSO5-
-llnl_gamma 4
log_k -17.2865
-delta_H 140.038 kJ/mol # Calculated enthalpy of reaction HSO5-
# Enthalpy of formation: -185.38 kcal/mol
-analytic 5.9944e+1 3.0904e-2 -7.7494e+3 -2.442e+1 -1.2094e+2
# -Range: 0-300
SeO3-2 + H+ = HSe- + 1.5 O2
-llnl_gamma 4
log_k -76.8418
-delta_H 506.892 kJ/mol # Calculated enthalpy of reaction HSe-
# Enthalpy of formation: 3.8 kcal/mol
-analytic 4.7105e+1 4.3116e-2 -2.6949e+4 -1.9895e+1 2.5305e+5
# -Range: 0-300
2 Hg+2 + H2O = Hg2+2 + 2 H+ + 0.5 O2
-llnl_gamma 4
log_k -12.208
-delta_H 106.261 kJ/mol # Calculated enthalpy of reaction Hg2+2
# Enthalpy of formation: 39.87 kcal/mol
-analytic 5.501e+1 1.905e-2 -4.7967e+3 -2.2952e+1 -7.4864e+1
# -Range: 0-300
Ho+3 + 0.5 H2O = Ho+2 + H+ + 0.25 O2
-llnl_gamma 4.5
log_k -67.3754
-delta_H 0 # Not possible to calculate enthalpy of reaction Ho+2
# Enthalpy of formation: -0 kcal/mol
3 I- + 2 H+ + 0.5 O2 = I3- + H2O
-llnl_gamma 4
log_k 24.7278
-delta_H -160.528 kJ/mol # Calculated enthalpy of reaction I3-
# Enthalpy of formation: -12.3 kcal/mol
-analytic 1.4788e+2 6.6206e-2 5.7407e+3 -6.5517e+1 8.9535e+1
# -Range: 0-300
I- + 0.5 O2 = IO-
-llnl_gamma 4
log_k -0.9038
-delta_H -44.5596 kJ/mol # Calculated enthalpy of reaction IO-
# Enthalpy of formation: -25.7 kcal/mol
-analytic 2.7568e+0 -5.5671e-3 3.2484e+3 -3.9065e+0 -2.88e+5
# -Range: 0-300
1.5 O2 + I- = IO3-
-llnl_gamma 4
log_k 17.6809
-delta_H -146.231 kJ/mol # Calculated enthalpy of reaction IO3-
# Enthalpy of formation: -52.9 kcal/mol
-analytic -2.2971e+1 -1.3478e-2 9.5977e+3 6.601e+0 -3.4371e+5
# -Range: 0-300
2 O2 + I- = IO4-
-llnl_gamma 3.5
log_k 6.9621
-delta_H -70.2912 kJ/mol # Calculated enthalpy of reaction IO4-
# Enthalpy of formation: -36.2 kcal/mol
-analytic 2.1232e+1 -7.8107e-3 3.5803e+3 -8.5272e+0 -2.5422e+5
# -Range: 0-300
La+3 + 0.5 H2O = La+2 + H+ + 0.25 O2
-llnl_gamma 4.5
log_k -72.4754
-delta_H 0 # Not possible to calculate enthalpy of reaction La+2
# Enthalpy of formation: -0 kcal/mol
Mn+2 + H+ + 0.25 O2 = Mn+3 + 0.5 H2O
-llnl_gamma 5
log_k -4.0811
-delta_H -65.2892 kJ/mol # Calculated enthalpy of reaction Mn+3
# Enthalpy of formation: -34.895 kcal/mol
-analytic 3.8873e+1 1.7458e-2 2.0757e+3 -2.2274e+1 3.2378e+1
# -Range: 0-300
2 H2O + O2 + Mn+2 = MnO4-2 + 4 H+
-llnl_gamma 4
log_k -32.4146
-delta_H 151.703 kJ/mol # Calculated enthalpy of reaction MnO4-2
# Enthalpy of formation: -156 kcal/mol
-analytic -1.0407e+1 -4.6464e-2 -1.0515e+4 1.0943e+1 -1.6408e+2
# -Range: 0-300
2 NH3 + 1.5 O2 = N2 + 3 H2O
-llnl_gamma 3
log_k 116.4609
-delta_H -687.08 kJ/mol # Calculated enthalpy of reaction N2
# Enthalpy of formation: -2.495 kcal/mol
-analytic -8.2621e+1 -1.4671e-2 4.0068e+4 2.909e+1 -2.5924e+5
# -Range: 0-300
3 NH3 + 2 O2 = N3- + 4 H2O + H+
-llnl_gamma 4
log_k 96.968
-delta_H -599.935 kJ/mol # Calculated enthalpy of reaction N3-
# Enthalpy of formation: 275.14 kJ/mol
-analytic -9.108e+1 -4.0817e-2 3.635e+4 3.4484e+1 -6.2678e+5
# -Range: 0-300
1.5 O2 + NH3 = NO2- + H+ + H2O
-llnl_gamma 3
log_k 46.8653
-delta_H -290.901 kJ/mol # Calculated enthalpy of reaction NO2-
# Enthalpy of formation: -25 kcal/mol
-analytic -1.7011e+1 -3.3459e-2 1.3999e+4 1.1078e+1 -4.8255e+4
# -Range: 0-300
2 O2 + NH3 = NO3- + H+ + H2O
-llnl_gamma 3
log_k 62.1001
-delta_H -387.045 kJ/mol # Calculated enthalpy of reaction NO3-
# Enthalpy of formation: -49.429 kcal/mol
-analytic -3.9468e+1 -3.9697e-2 2.0614e+4 1.8872e+1 -2.1917e+5
# -Range: 0-300
Nd+3 + 0.5 H2O = Nd+2 + H+ + 0.25 O2
-llnl_gamma 4.5
log_k -64.3754
-delta_H 0 # Not possible to calculate enthalpy of reaction Nd+2
# Enthalpy of formation: -0 kcal/mol
Np+4 + 0.5 H2O = Np+3 + H+ + 0.25 O2
-llnl_gamma 5
log_k -19.0131
-delta_H 168.787 kJ/mol # Calculated enthalpy of reaction Np+3
# Enthalpy of formation: -527.1 kJ/mol
-analytic 1.6615e+1 2.4645e-3 -8.9343e+3 -2.5829e+0 -1.3942e+2
# -Range: 0-300
1.5 H2O + Np+4 + 0.25 O2 = NpO2+ + 3 H+
-llnl_gamma 4
log_k 10.5928
-delta_H 9.80089 kJ/mol # Calculated enthalpy of reaction NpO2+
# Enthalpy of formation: -977.991 kJ/mol
-analytic 1.2566e+1 7.5467e-3 1.6921e+3 -2.7125e+0 -2.8381e+5
# -Range: 0-300
Np+4 + H2O + 0.5 O2 = NpO2+2 + 2 H+
-llnl_gamma 4.5
log_k 11.2107
-delta_H -12.5719 kJ/mol # Calculated enthalpy of reaction NpO2+2
# Enthalpy of formation: -860.478 kJ/mol
-analytic 2.551e+1 1.1973e-3 1.2753e+3 -6.7082e+0 -2.0792e+5
# -Range: 0-300
2 H+ + Pb+2 + 0.5 O2 = Pb+4 + H2O
-llnl_gamma 5.5
log_k -14.1802
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb+4
# Enthalpy of formation: -0 kcal/mol
Pm+3 + 0.5 H2O = Pm+2 + H+ + 0.25 O2
-llnl_gamma 4.5
log_k -65.2754
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm+2
# Enthalpy of formation: -0 kcal/mol
Pr+3 + 0.5 H2O = Pr+2 + H+ + 0.25 O2
-llnl_gamma 4.5
log_k -79.9754
-delta_H 0 # Not possible to calculate enthalpy of reaction Pr+2
# Enthalpy of formation: -0 kcal/mol
Pu+4 + 0.5 H2O = Pu+3 + H+ + 0.25 O2
-llnl_gamma 5
log_k -4.5071
-delta_H 84.2268 kJ/mol # Calculated enthalpy of reaction Pu+3
# Enthalpy of formation: -591.552 kJ/mol
-analytic 2.0655e+1 3.2688e-3 -4.7434e+3 -4.1907e+0 1.2944e+4
# -Range: 0-300
1.5 H2O + Pu+4 + 0.25 O2 = PuO2+ + 3 H+
-llnl_gamma 4
log_k 2.9369
-delta_H 53.5009 kJ/mol # Calculated enthalpy of reaction PuO2+
# Enthalpy of formation: -914.183 kJ/mol
-analytic -2.0464e+1 2.8265e-3 1.2131e+3 9.2156e+0 -3.84e+5
# -Range: 0-300
Pu+4 + H2O + 0.5 O2 = PuO2+2 + 2 H+
-llnl_gamma 4.5
log_k 8.1273
-delta_H 6.22013 kJ/mol # Calculated enthalpy of reaction PuO2+2
# Enthalpy of formation: -821.578 kJ/mol
-analytic 3.5219e+1 2.5202e-3 -2.476e+2 -1.012e+1 -1.7569e+5
# -Range: 0-300
4 H+ + RuO4-2 = Ru(OH)2+2 + H2O + 0.5 O2
-llnl_gamma 4.5
log_k 25.247
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2+2
# Enthalpy of formation: -0 kcal/mol
4 H+ + RuO4-2 = Ru+2 + 2 H2O + O2
-llnl_gamma 4.5
log_k 0.161
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru+2
# Enthalpy of formation: -0 kcal/mol
5 H+ + RuO4-2 = Ru+3 + 2.5 H2O + 0.75 O2
-llnl_gamma 5
log_k 17.6149
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru+3
# Enthalpy of formation: -0 kcal/mol
2 H+ + RuO4-2 + 0.5 O2 = RuO4 + H2O
-llnl_gamma 3
log_k 16.2672
-delta_H -60.8385 kJ/mol # Calculated enthalpy of reaction RuO4
# Enthalpy of formation: -238.142 kJ/mol
-analytic 1.9964e+2 6.8286e-2 -1.202e+3 -8.0706e+1 -2.0481e+1
# -Range: 0-200
RuO4-2 + H+ + 0.25 O2 = RuO4- + 0.5 H2O
-llnl_gamma 4
log_k 11.6024
-delta_H -16.1998 kJ/mol # Calculated enthalpy of reaction RuO4-
# Enthalpy of formation: -333.389 kJ/mol
-analytic -1.9653e+0 8.8623e-3 1.8588e+3 1.8998e+0 2.9005e+1
# -Range: 0-300
2 H+ + 2 SO3-2 = S2O4-2 + .5 O2 + H2O
-llnl_gamma 5
# log_k -25.2075
log_k -25.2076
-delta_H 0 # Not possible to calculate enthalpy of reaction S2O4-2
# Enthalpy of formation: -0 kcal/mol
# -analytic -0.15158E+05 -0.31356E+01 0.47072E+06 0.58544E+04 0.73497E+04
-analytic -2.3172e2 2.0393e-3 -7.1011e0 8.3239e1 9.4155e-1
# changed 3/23/04, corrected to supcrt temperature dependence, GMA
# -Range: 0-300
# 2.0000 SO3-- + .500 O2 + 2.0000 H+ = S2O6-- + H2O
# H2O = .5 O2 + 2H+ + 2e-
2 SO3-2 = S2O6-2 + 2 e-
-llnl_gamma 4
log_k 41.8289
-delta_H 0 # Not possible to calculate enthalpy of reaction S2O6-2
# Enthalpy of formation: -0 kcal/mol
-analytic 0.14458E+3 0.61449E-1 0.71877E+4 -0.58657E+2 0.11211E+3
# -Range: 0-300
-add_logk Log_K_O2 0.5
2 SO3-2 + 1.5 O2 + 2 H+ = S2O8-2 + H2O
-llnl_gamma 4
log_k 70.7489
-delta_H 0 # Not possible to calculate enthalpy of reaction S2O8-2
# Enthalpy of formation: -0 kcal/mol
-analytic 0.18394E+3 0.60414E-1 0.13864E+5 -0.71804E+2 0.21628E+3
# -Range: 0-300
O2 + H+ + 3 HS- = S3-2 + 2 H2O
# 2H2O = O2 + 4H+ + 4e-
#3HS- = S3-- + 3H+ + 4e-
-llnl_gamma 4
log_k 79.3915
-delta_H 0 # Not possible to calculate enthalpy of reaction S3-2
# Enthalpy of formation: -0 kcal/mol
-analytic -0.51626E+2 0.70208E-2 0.31797E+5 0.11927E+2 -0.64249E+6
-mass_balance S(-2)3
# -Range: 0-300
# -add_logk Log_K_O2 1.0
# 3.0000 SO3-- + 4.0000 H+ = S3O6-- + .500 O2 + 2.0000 H2O
# .5 O2 + 2H+ + 2e- = H2O
3 SO3-2 + 6 H+ + 2 e- = S3O6-2 + 3 H2O
-llnl_gamma 4
log_k -6.2316
-delta_H 0 # Not possible to calculate enthalpy of reaction S3O6-2
# Enthalpy of formation: -0 kcal/mol
-analytic 0.23664E+3 0.12702E+0 -0.1011E+5 -0.99715E+2 -0.15783E+3
# -Range: 0-300
-add_logk Log_K_O2 -0.5
1.5 O2 + 2 H+ + 4 HS- = S4-2 + 3 H2O
#4 HS- = S4-- + 4H+ + 6e-
-llnl_gamma 4
log_k 125.2958
-delta_H 0 # Not possible to calculate enthalpy of reaction S4-2
# Enthalpy of formation: -0 kcal/mol
-analytic 0.20875E+3 0.58133E-1 0.33278E+5 -0.85833E+2 0.51921E+3
-mass_balance S(-2)4
# -Range: 0-300
# -add_logk Log_K_O2 1.5
# 4.0000 SO3-- + 6.0000 H+ = S4O6-- + 1.500 O2 + 3.0000 H2O
4 SO3-2 + 12 H+ + 6 e- = S4O6-2 + 6 H2O
-llnl_gamma 4
log_k -38.3859
-delta_H 0 # Not possible to calculate enthalpy of reaction S4O6-2
# Enthalpy of formation: -0 kcal/mol
-analytic 0.32239E+3 0.19555E+0 -0.23617E+5 -0.13729E+3 -0.36862E+3
# -Range: 0-300
-add_logk Log_K_O2 -1.5
2 O2 + 3 H+ + 5 HS- = S5-2 + 4 H2O
#5 HS- = S5-- + 5H+ + 8e-
-llnl_gamma 4
log_k 170.9802
-delta_H 0 # Not possible to calculate enthalpy of reaction S5-2
# Enthalpy of formation: -0 kcal/mol
-analytic 0.30329E+3 0.88033E-1 0.44739E+5 -0.12471E+3 0.69803E+3
-mass_balance S(-2)5
# -Range: 0-300
# -add_logk Log_K_O2 2
# 5.0000 SO3-- + 8.0000 H+ = S5O6-- + 2.5000 O2 + 4.0000 H2O
# 2.5O2 + 10 H+ + 10e- = 5H2O
5 SO3-2 + 18 H+ + 10 e- = S5O6-2 + 9 H2O
-llnl_gamma 4
log_k -99.4206
-delta_H 0 # Not possible to calculate enthalpy of reaction S5O6-2
# Enthalpy of formation: -0 kcal/mol
-analytic 0.42074E+3 0.25833E+0 -0.43878E+5 -0.18178E+3 -0.6848E+3
# -Range: 0-300
-add_logk Log_K_O2 -2.5
# 1.0000 H+ + HCO3- + HS- + NH3 = SCN- + 3.0000 H2O
# -llnl_gamma 3.5
# log_k 3.0070
# -delta_H 0 # Not possible to calculate enthalpy of reaction SCN-
## Enthalpy of formation: -0 kcal/mol
# -analytic 0.16539E+03 0.49623E-01 -0.44624E+04 -0.65544E+02 -0.69680E+02
## -Range: 0-300
Thiocyanate- = Thiocyanate-
log_k 0
SO4-2 = SO3-2 + 0.5 O2
-llnl_gamma 4.5
log_k -46.6244
-delta_H 267.985 kJ/mol # Calculated enthalpy of reaction SO3-2
# Enthalpy of formation: -151.9 kcal/mol
-analytic -1.3771e+1 6.5102e-4 -1.333e+4 4.7164e+0 -2.08e+2
# -Range: 0-300
HSe- = Se-2 + H+
-llnl_gamma 4
log_k -14.9534
-delta_H 0 # Not possible to calculate enthalpy of reaction Se-2
# Enthalpy of formation: -0 kcal/mol
-analytic 1.0244e+2 3.1346e-2 -5.419e+3 -4.3871e+1 -8.4589e+1
# -Range: 0-300
SeO3-2 + 0.5 O2 = SeO4-2
-llnl_gamma 4
log_k 13.9836
-delta_H -83.8892 kJ/mol # Calculated enthalpy of reaction SeO4-2
# Enthalpy of formation: -143.2 kcal/mol
-analytic -7.2314e+1 -1.3657e-2 8.6969e+3 2.6182e+1 -3.1897e+5
# -Range: 0-300
Sm+3 + 0.5 H2O = Sm+2 + H+ + 0.25 O2
-llnl_gamma 4.5
log_k -47.9624
-delta_H 326.911 kJ/mol # Calculated enthalpy of reaction Sm+2
# Enthalpy of formation: -120.5 kcal/mol
-analytic -1.0217e+1 7.7548e-3 -1.6285e+4 5.4711e+0 9.1931e+4
# -Range: 0-300
2 H+ + Sn+2 + 0.5 O2 = Sn+4 + H2O
-llnl_gamma 11
log_k 37.702
-delta_H -240.739 kJ/mol # Calculated enthalpy of reaction Sn+4
# Enthalpy of formation: 7.229 kcal/mol
-analytic 3.2053e+1 -9.2307e-3 1.0378e+4 -1.0666e+1 1.6193e+2
# -Range: 0-300
Tb+3 + 0.5 H2O = Tb+2 + H+ + 0.25 O2
-llnl_gamma 4.5
log_k -78.7754
-delta_H 0 # Not possible to calculate enthalpy of reaction Tb+2
# Enthalpy of formation: -0 kcal/mol
4 H+ + TcO4- = Tc+3 + 2 H2O + O2
-llnl_gamma 5
log_k -47.614
-delta_H 0 # Not possible to calculate enthalpy of reaction Tc+3
# Enthalpy of formation: -0 kcal/mol
3 H+ + TcO4- = TcO+2 + 1.5 H2O + 0.75 O2
-llnl_gamma 4.5
log_k -31.5059
-delta_H 0 # Not possible to calculate enthalpy of reaction TcO+2
# Enthalpy of formation: -0 kcal/mol
TcO4- + 0.5 H2O = TcO4-2 + H+ + 0.25 O2
-llnl_gamma 4
log_k -31.8197
-delta_H 0 # Not possible to calculate enthalpy of reaction TcO4-2
# Enthalpy of formation: -0 kcal/mol
TcO4- + H2O = TcO4-3 + 2 H+ + 0.5 O2
-llnl_gamma 4
log_k -63.2889
-delta_H 0 # Not possible to calculate enthalpy of reaction TcO4-3
# Enthalpy of formation: -0 kcal/mol
2 H+ + Tl+ + 0.5 O2 = Tl+3 + H2O
-llnl_gamma 5
log_k -0.2751
-delta_H -88.479 kJ/mol # Calculated enthalpy of reaction Tl+3
# Enthalpy of formation: 47 kcal/mol
-analytic -6.7978e+1 -2.643e-2 5.3106e+3 2.334e+1 8.2887e+1
# -Range: 0-300
Tm+3 + 0.5 H2O = Tm+2 + H+ + 0.25 O2
-llnl_gamma 4.5
log_k -58.3754
-delta_H 0 # Not possible to calculate enthalpy of reaction Tm+2
# Enthalpy of formation: -0 kcal/mol
UO2+2 + H+ = U+3 + 0.75 O2 + 0.5 H2O
-llnl_gamma 5
log_k -64.8028
-delta_H 377.881 kJ/mol # Calculated enthalpy of reaction U+3
# Enthalpy of formation: -489.1 kJ/mol
-analytic 2.5133e+1 6.4088e-3 -2.2542e+4 -8.1423e+0 3.4793e+5
# -Range: 0-300
2 H+ + UO2+2 = U+4 + H2O + 0.5 O2
-llnl_gamma 5.5
log_k -33.9491
-delta_H 135.895 kJ/mol # Calculated enthalpy of reaction U+4
# Enthalpy of formation: -591.2 kJ/mol
-analytic 4.4837e+1 1.0129e-2 -1.1787e+4 -1.9194e+1 4.6436e+5
# -Range: 0-300
UO2+2 + 0.5 H2O = UO2+ + H+ + 0.25 O2
-llnl_gamma 4
log_k -20.0169
-delta_H 133.759 kJ/mol # Calculated enthalpy of reaction UO2+
# Enthalpy of formation: -1025.13 kJ/mol
-analytic 8.048e+0 9.5845e-3 -6.5994e+3 -3.5515e+0 -1.0298e+2
# -Range: 0-300
VO+2 + H+ = V+3 + 0.5 H2O + 0.25 O2
-llnl_gamma 5
log_k -15.7191
-delta_H 79.6069 kJ/mol # Calculated enthalpy of reaction V+3
# Enthalpy of formation: -62.39 kcal/mol
-analytic 1.6167e+1 1.1963e-2 -4.2112e+3 -8.6126e+0 -6.5717e+1
# -Range: 0-300
VO+2 + 0.5 H2O + 0.25 O2 = VO2+ + H+
-llnl_gamma 4
log_k 4.5774
-delta_H -17.2234 kJ/mol # Calculated enthalpy of reaction VO2+
# Enthalpy of formation: -155.3 kcal/mol
-analytic 1.9732e+0 5.3936e-3 1.224e+3 -1.2539e+0 1.9098e+1
# -Range: 0-300
VO2+ + 2 H2O = VO4-3 + 4 H+
-llnl_gamma 4
log_k -28.4475
-delta_H 0 # Not possible to calculate enthalpy of reaction VO4-3
# Enthalpy of formation: -0 kcal/mol
Yb+3 + 0.5 H2O = Yb+2 + H+ + 0.25 O2
-llnl_gamma 4.5
log_k -39.4595
-delta_H 280.05 kJ/mol # Calculated enthalpy of reaction Yb+2
# Enthalpy of formation: -126.8 kcal/mol
-analytic 1.0773e+0 9.5995e-3 -1.3833e+4 1.0723e+0 3.1365e+4
# -Range: 0-300
2 H+ + Zr(OH)2+2 = Zr+4 + 2 H2O
-llnl_gamma 11
log_k 0.2385
-delta_H 0 # Not possible to calculate enthalpy of reaction Zr+4
# Enthalpy of formation: -0 kcal/mol
4 HS- + 4 H+ + 2 Sb(OH)3 + 2 NH3 = (NH4)2Sb2S4 + 6 H2O
-llnl_gamma 3
log_k 67.649
-delta_H -424.665 kJ/mol # Calculated enthalpy of reaction (NH4)2Sb2S4
# Enthalpy of formation: -484.321 kJ/mol
-analytic -3.9259e+2 -1.1727e-1 3.2073e+4 1.5667e+2 5.4478e+2
# -Range: 0-200
2 NpO2+2 + 2 H2O = (NpO2)2(OH)2+2 + 2 H+
-llnl_gamma 4.5
log_k -6.4
-delta_H 45.4397 kJ/mol # Calculated enthalpy of reaction (NpO2)2(OH)2+2
# Enthalpy of formation: -537.092 kcal/mol
-analytic -4.7462e+1 -3.1413e-2 -2.1954e+3 2.3355e+1 -3.7424e+1
# -Range: 25-150
5 H2O + 3 NpO2+2 = (NpO2)3(OH)5+ + 5 H+
-llnl_gamma 4
log_k -17.5
-delta_H 112.322 kJ/mol # Calculated enthalpy of reaction (NpO2)3(OH)5+
# Enthalpy of formation: -931.717 kcal/mol
-analytic 5.4053e+2 9.1693e-2 -2.4404e+4 -2.0349e+2 -4.1639e+2
# -Range: 25-150
2 PuO2+2 + 2 H2O = (PuO2)2(OH)2+2 + 2 H+
-llnl_gamma 4.5
log_k -8.2626
-delta_H 57.8597 kJ/mol # Calculated enthalpy of reaction (PuO2)2(OH)2+2
# Enthalpy of formation: -2156.97 kJ/mol
-analytic 6.5448e+1 -1.6194e-3 -5.9542e+3 -2.1522e+1 -9.2929e+1
# -Range: 0-300
5 H2O + 3 PuO2+2 = (PuO2)3(OH)5+ + 5 H+
-llnl_gamma 4
log_k -21.655
-delta_H 139.617 kJ/mol # Calculated enthalpy of reaction (PuO2)3(OH)5+
# Enthalpy of formation: -3754.31 kJ/mol
-analytic 1.6151e+2 5.8182e-3 -1.4002e+4 -5.5745e+1 -2.1854e+2
# -Range: 0-300
4 H2O + 2 TcO+2 = (TcO(OH)2)2 + 4 H+
-llnl_gamma 3
log_k -0.1271
-delta_H 0 # Not possible to calculate enthalpy of reaction (TcO(OH)2)2
# Enthalpy of formation: -0 kcal/mol
12 H2O + 11 UO2+2 + 6 HCO3- = (UO2)11(CO3)6(OH)12-2 + 18 H+
-llnl_gamma 4
log_k -25.7347
-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)11(CO3)6(OH)12-2
# Enthalpy of formation: -0 kcal/mol
2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+
-llnl_gamma 4.5
log_k -5.6346
-delta_H 37.6127 kJ/mol # Calculated enthalpy of reaction (UO2)2(OH)2+2
# Enthalpy of formation: -2572.06 kJ/mol
-analytic 6.4509e+1 -7.6875e-4 -4.8433e+3 -2.1689e+1 -7.5593e+1
# -Range: 0-300
3 H2O + 2 UO2+2 + HCO3- = (UO2)2CO3(OH)3- + 4 H+
-llnl_gamma 4
log_k -11.2229
-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)2CO3(OH)3-
# Enthalpy of formation: -0 kcal/mol
2 UO2+2 + H2O = (UO2)2OH+3 + H+
-llnl_gamma 5
log_k -2.7072
-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)2OH+3
# Enthalpy of formation: -0 kcal/mol
6 HCO3- + 3 UO2+2 = (UO2)3(CO3)6-6 + 6 H+
-llnl_gamma 4
log_k -8.0601
-delta_H 25.5204 kJ/mol # Calculated enthalpy of reaction (UO2)3(CO3)6-6
# Enthalpy of formation: -7171.08 kJ/mol
-analytic 7.4044e+2 2.7299e-1 -1.7614e+4 -3.1149e+2 -2.7507e+2
# -Range: 0-300
4 H2O + 3 UO2+2 = (UO2)3(OH)4+2 + 4 H+
-llnl_gamma 4.5
log_k -11.929
-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)4+2
# Enthalpy of formation: -0 kcal/mol
5 H2O + 3 UO2+2 = (UO2)3(OH)5+ + 5 H+
-llnl_gamma 4
log_k -15.5862
-delta_H 97.1056 kJ/mol # Calculated enthalpy of reaction (UO2)3(OH)5+
# Enthalpy of formation: -4389.09 kJ/mol
-analytic 1.6004e+2 7.0827e-3 -1.17e+4 -5.5973e+1 -1.8261e+2
# -Range: 0-300
4 H2O + 3 UO2+2 + HCO3- = (UO2)3(OH)5CO2+ + 4 H+
-llnl_gamma 4
log_k -9.6194
-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)5CO2+
# Enthalpy of formation: -0 kcal/mol
7 H2O + 3 UO2+2 = (UO2)3(OH)7- + 7 H+
-llnl_gamma 4
log_k -31.0508
-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)7-
# Enthalpy of formation: -0 kcal/mol
3 UO2+2 + 3 H2O + HCO3- = (UO2)3O(OH)2(HCO3)+ + 4 H+
-llnl_gamma 4
log_k -9.7129
-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3O(OH)2(HCO3)+
# Enthalpy of formation: -0 kcal/mol
7 H2O + 4 UO2+2 = (UO2)4(OH)7+ + 7 H+
-llnl_gamma 4
log_k -21.9508
-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)4(OH)7+
# Enthalpy of formation: -0 kcal/mol
2 VO+2 + 2 H2O = (VO)2(OH)2+2 + 2 H+
-llnl_gamma 4.5
log_k -6.67
-delta_H 0 # Not possible to calculate enthalpy of reaction (VO)2(OH)2+2
# Enthalpy of formation: -0 kcal/mol
HAcetate = Acetate- + H+
-llnl_gamma 4.5
log_k -4.7572
-delta_H 0 # Not possible to calculate enthalpy of reaction Acetate-
# Enthalpy of formation: -0 kcal/mol
-analytic -0.96597E+2 -0.34535E-1 0.19753E+4 0.38593E+2 0.3085E+2
# Range: 0-300
2 HAcetate + Ag+ = Ag(Acetate)2- + 2 H+
-llnl_gamma 4
log_k -8.8716
-delta_H 0 # Not possible to calculate enthalpy of reaction Ag(Acetate)2-
# Enthalpy of formation: -0 kcal/mol
-analytic -2.8207e+2 -5.3713e-2 9.5343e+3 1.0396e+2 1.4886e+2
# -Range: 0-300
2 HCO3- + Ag+ = Ag(CO3)2-3 + 2 H+
-llnl_gamma 4
log_k -18.5062
-delta_H 1.34306 kJ/mol # Calculated enthalpy of reaction Ag(CO3)2-3
# Enthalpy of formation: -304.2 kcal/mol
-analytic -1.6671e+2 -4.5571e-2 3.719e+3 6.0341e+1 5.808e+1
# -Range: 0-300
Ag+ + HAcetate = AgAcetate + H+
-llnl_gamma 3
log_k -4.0264
-delta_H -3.4518 kJ/mol # Calculated enthalpy of reaction AgAcetate
# Enthalpy of formation: -91.65 kcal/mol
-analytic 6.9069e+0 -1.9415e-3 -1.9953e+3 -2.6175e+0 2.5092e+5
# -Range: 0-300
HCO3- + Ag+ = AgCO3- + H+
-llnl_gamma 4
log_k -7.6416
-delta_H -8.27177 kJ/mol # Calculated enthalpy of reaction AgCO3-
# Enthalpy of formation: -141.6 kcal/mol
-analytic 6.5598e+0 -1.6477e-4 -4.7079e+2 -5.0807e+0 -7.3484e+0
# -Range: 0-300
Cl- + Ag+ = AgCl
-llnl_gamma 3
log_k 3.2971
-delta_H -15.1126 kJ/mol # Calculated enthalpy of reaction AgCl
# Enthalpy of formation: -18.27 kcal/mol
-analytic 1.0904e+2 3.5492e-2 -1.8455e+3 -4.4502e+1 -2.883e+1
# -Range: 0-300
2 Cl- + Ag+ = AgCl2-
-llnl_gamma 4
log_k 5.2989
-delta_H -27.3592 kJ/mol # Calculated enthalpy of reaction AgCl2-
# Enthalpy of formation: -61.13 kcal/mol
-analytic 9.2164e+1 4.0261e-2 -1.6597e+2 -3.9721e+1 -2.6171e+0
# -Range: 0-300
3 Cl- + Ag+ = AgCl3-2
-llnl_gamma 4
log_k 5.131
-delta_H -47.7645 kJ/mol # Calculated enthalpy of reaction AgCl3-2
# Enthalpy of formation: -105.94 kcal/mol
-analytic 4.3732e+0 2.9568e-2 3.9818e+3 -8.6428e+0 6.2131e+1
# -Range: 0-300
4 Cl- + Ag+ = AgCl4-3
-llnl_gamma 4
log_k 3.805
-delta_H -32.4804 kJ/mol # Calculated enthalpy of reaction AgCl4-3
# Enthalpy of formation: -142.22 kcal/mol
-analytic -1.6176e+1 2.9523e-2 0e+0 0e+0 9.9602e+5
# -Range: 0-300
F- + Ag+ = AgF
-llnl_gamma 3
log_k -0.1668
-delta_H -9.298 kJ/mol # Calculated enthalpy of reaction AgF
# Enthalpy of formation: -238.895 kJ/mol
-analytic -6.6024e+1 -2.235e-2 1.9514e+3 2.6663e+1 3.316e+1
# -Range: 0-200
NO3- + Ag+ = AgNO3
-llnl_gamma 3
log_k -0.1979
-delta_H 4.45178 kJ/mol # Calculated enthalpy of reaction AgNO3
# Enthalpy of formation: -23.09 kcal/mol
-analytic 7.3866e+1 2.605e-2 -1.5923e+3 -3.0904e+1 -2.4868e+1
# -Range: 0-300
2 HAcetate + Al+3 = Al(Acetate)2+ + 2 H+
-llnl_gamma 4
log_k -5.595
-delta_H -46.8566 kJ/mol # Calculated enthalpy of reaction Al(Acetate)2+
# Enthalpy of formation: -372.08 kcal/mol
-analytic -4.2528e+1 2.1431e-3 3.1658e+2 1.1585e+1 5.8604e+5
# -Range: 0-300
2 H2O + Al+3 = Al(OH)2+ + 2 H+
-llnl_gamma 4
log_k -10.5945
-delta_H 98.2822 kJ/mol # Calculated enthalpy of reaction Al(OH)2+
# Enthalpy of formation: -241.825 kcal/mol
-analytic 4.4036e+1 2.0168e-2 -5.5455e+3 -1.6987e+1 -8.6545e+1
# -Range: 0-300
2 SO4-2 + Al+3 = Al(SO4)2-
-llnl_gamma 4
log_k 4.9
-delta_H 0 # Not possible to calculate enthalpy of reaction Al(SO4)2-
# Enthalpy of formation: -0 kcal/mol
28 H2O + 13 Al+3 = Al13O4(OH)24+7 + 32 H+
-llnl_gamma 6
log_k -98.73
-delta_H 0 # Not possible to calculate enthalpy of reaction Al13O4(OH)24+7
# Enthalpy of formation: -0 kcal/mol
2 H2O + 2 Al+3 = Al2(OH)2+4 + 2 H+
-llnl_gamma 5.5
log_k -7.6902
-delta_H 0 # Not possible to calculate enthalpy of reaction Al2(OH)2+4
# Enthalpy of formation: -0 kcal/mol
4 H2O + 3 Al+3 = Al3(OH)4+5 + 4 H+
-llnl_gamma 6
log_k -13.8803
-delta_H 0 # Not possible to calculate enthalpy of reaction Al3(OH)4+5
# Enthalpy of formation: -0 kcal/mol
Al+3 + HAcetate = AlAcetate+2 + H+
-llnl_gamma 4.5
log_k -2.6923
-delta_H -18.1962 kJ/mol # Calculated enthalpy of reaction AlAcetate+2
# Enthalpy of formation: -249.13 kcal/mol
-analytic -1.9847e+1 2.0058e-3 -2.3653e+2 5.5454e+0 3.2362e+5
# -Range: 0-300
F- + Al+3 = AlF+2
-llnl_gamma 4.5
log_k 7
-delta_H 0 # Not possible to calculate enthalpy of reaction AlF+2
# Enthalpy of formation: -0 kcal/mol
2 F- + Al+3 = AlF2+
-llnl_gamma 4
log_k 12.6
-delta_H 0 # Not possible to calculate enthalpy of reaction AlF2+
# Enthalpy of formation: -0 kcal/mol
3 F- + Al+3 = AlF3
-llnl_gamma 3
log_k 16.7
-delta_H 0 # Not possible to calculate enthalpy of reaction AlF3
# Enthalpy of formation: -0 kcal/mol
4 F- + Al+3 = AlF4-
-llnl_gamma 4
log_k 19.1
-delta_H 0 # Not possible to calculate enthalpy of reaction AlF4-
# Enthalpy of formation: -0 kcal/mol
HPO4-2 + H+ + Al+3 = AlH2PO4+2
-llnl_gamma 4.5
log_k 3.1
-delta_H 0 # Not possible to calculate enthalpy of reaction AlH2PO4+2
# Enthalpy of formation: -0 kcal/mol
HPO4-2 + Al+3 = AlHPO4+
-llnl_gamma 4
log_k 7.4
-delta_H 0 # Not possible to calculate enthalpy of reaction AlHPO4+
# Enthalpy of formation: -0 kcal/mol
2 H2O + Al+3 = AlO2- + 4 H+
-llnl_gamma 4
log_k -22.8833
-delta_H 180.899 kJ/mol # Calculated enthalpy of reaction AlO2-
# Enthalpy of formation: -222.079 kcal/mol
-analytic 1.0803e+1 -3.4379e-3 -9.7391e+3 0e+0 0e+0
# -Range: 0-300
H2O + Al+3 = AlOH+2 + H+
-llnl_gamma 4.5
log_k -4.9571
-delta_H 49.798 kJ/mol # Calculated enthalpy of reaction AlOH+2
# Enthalpy of formation: -185.096 kcal/mol
-analytic -2.6224e-1 8.8816e-3 -1.8686e+3 -4.3195e-1 -2.9158e+1
# -Range: 0-300
SO4-2 + Al+3 = AlSO4+
-llnl_gamma 4
log_k 3.01
-delta_H 0 # Not possible to calculate enthalpy of reaction AlSO4+
# Enthalpy of formation: -0 kcal/mol
2 HCO3- + Am+3 = Am(CO3)2- + 2 H+
-llnl_gamma 4
log_k -8.3868
-delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)2-
# Enthalpy of formation: -0 kcal/mol
3 HCO3- + Am+3 = Am(CO3)3-3 + 3 H+
-llnl_gamma 4
log_k -15.8302
-delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)3-3
# Enthalpy of formation: -0 kcal/mol
5 HCO3- + Am+4 = Am(CO3)5-6 + 5 H+
-llnl_gamma 4
log_k -12.409
-delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)5-6
# Enthalpy of formation: -0 kcal/mol
2 H2O + Am+3 = Am(OH)2+ + 2 H+
-llnl_gamma 4
log_k -14.1145
-delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)2+
# Enthalpy of formation: -0 kcal/mol
3 H2O + Am+3 = Am(OH)3 + 3 H+
-llnl_gamma 3
log_k -25.7218
-delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Am+3 = Am(SO4)2-
-llnl_gamma 4
log_k 5.2407
-delta_H 0 # Not possible to calculate enthalpy of reaction Am(SO4)2-
# Enthalpy of formation: -0 kcal/mol
HCO3- + Am+3 = AmCO3+ + H+
-llnl_gamma 4
log_k -2.5434
-delta_H 0 # Not possible to calculate enthalpy of reaction AmCO3+
# Enthalpy of formation: -0 kcal/mol
Cl- + Am+3 = AmCl+2
-llnl_gamma 4.5
log_k 1.0374
-delta_H 0 # Not possible to calculate enthalpy of reaction AmCl+2
# Enthalpy of formation: -0 kcal/mol
F- + Am+3 = AmF+2
-llnl_gamma 4.5
log_k 3.3601
-delta_H 0 # Not possible to calculate enthalpy of reaction AmF+2
# Enthalpy of formation: -0 kcal/mol
2 F- + Am+3 = AmF2+
-llnl_gamma 4
log_k 5.7204
-delta_H 0 # Not possible to calculate enthalpy of reaction AmF2+
# Enthalpy of formation: -0 kcal/mol
HPO4-2 + H+ + Am+3 = AmH2PO4+2
-llnl_gamma 4.5
log_k 11.4119
-delta_H 0 # Not possible to calculate enthalpy of reaction AmH2PO4+2
# Enthalpy of formation: -0 kcal/mol
N3- + Am+3 = AmN3+2
-llnl_gamma 4.5
log_k 1.6699
-delta_H 0 # Not possible to calculate enthalpy of reaction AmN3+2
# Enthalpy of formation: -0 kcal/mol
NO3- + Am+3 = AmNO3+2
-llnl_gamma 4.5
log_k 1.3104
-delta_H 0 # Not possible to calculate enthalpy of reaction AmNO3+2
# Enthalpy of formation: -0 kcal/mol
H2O + Am+3 = AmOH+2 + H+
-llnl_gamma 4.5
log_k -6.4072
-delta_H 0 # Not possible to calculate enthalpy of reaction AmOH+2
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Am+3 = AmSO4+
-llnl_gamma 4
log_k 3.7703
-delta_H 0 # Not possible to calculate enthalpy of reaction AmSO4+
# Enthalpy of formation: -0 kcal/mol
H2AsO3- + H+ = As(OH)3
-llnl_gamma 3
log_k 9.2048
-delta_H -27.4054 kJ/mol # Calculated enthalpy of reaction As(OH)3
# Enthalpy of formation: -742.2 kJ/mol
-analytic 1.302e+2 4.7513e-2 -1.1999e+3 -5.2993e+1 -2.0422e+1
# -Range: 0-200
H2AsO3- = AsO2- + H2O
-llnl_gamma 4
log_k 0.0111
-delta_H 0 # Not possible to calculate enthalpy of reaction AsO2-
# Enthalpy of formation: -0 kcal/mol
-analytic -2.1509e+1 -1.768e-2 -1.9261e+1 1.0841e+1 -2.9404e-1
# -Range: 0-300
H2AsO3- = AsO2OH-2 + H+
-llnl_gamma 4
log_k -11.0171
-delta_H 25.514 kJ/mol # Calculated enthalpy of reaction AsO2OH-2
# Enthalpy of formation: -164.742 kcal/mol
-analytic 1.4309e+2 1.862e-2 -6.8596e+3 -5.5222e+1 -1.0708e+2
# -Range: 0-300
H2AsO4- + F- = AsO3F-2 + H2O
-llnl_gamma 4
log_k 40.2451
-delta_H 0 # Not possible to calculate enthalpy of reaction AsO3F-2
# Enthalpy of formation: -0 kcal/mol
H2AsO4- = AsO4-3 + 2 H+
-llnl_gamma 4
log_k -18.3604
-delta_H 21.4198 kJ/mol # Calculated enthalpy of reaction AsO4-3
# Enthalpy of formation: -888.14 kJ/mol
-analytic -2.4979e+1 -1.2761e-2 2.8369e+3 3.4878e+0 -6.8736e+5
# -Range: 0-300
2 HAcetate + Au+ = Au(Acetate)2- + 2 H+
-llnl_gamma 4
log_k -9.0013
-delta_H -8.91192 kJ/mol # Calculated enthalpy of reaction Au(Acetate)2-
# Enthalpy of formation: -186.75 kcal/mol
-analytic -2.2338e+2 -4.6312e-2 7.0942e+3 8.2606e+1 1.1076e+2
# -Range: 0-300
Au+ + HAcetate = AuAcetate + H+
-llnl_gamma 3
log_k -4.3174
-delta_H 0.87864 kJ/mol # Calculated enthalpy of reaction AuAcetate
# Enthalpy of formation: -68.31 kcal/mol
-analytic -1.1812e+0 -4.112e-3 -1.4752e+3 4.5665e-1 1.7019e+5
# -Range: 0-300
2 B(OH)3 = B2O(OH)5- + H+
-llnl_gamma 4
log_k -18.6851
-delta_H 0 # Not possible to calculate enthalpy of reaction B2O(OH)5-
# Enthalpy of formation: -0 kcal/mol
2 F- + H+ + B(OH)3 = BF2(OH)2- + H2O
-llnl_gamma 4
log_k 6.6174
-delta_H 0 # Not possible to calculate enthalpy of reaction BF2(OH)2-
# Enthalpy of formation: -0 kcal/mol
3 F- + 2 H+ + B(OH)3 = BF3OH- + 2 H2O
-llnl_gamma 4
log_k 13.1908
-delta_H -178.577 kJ/mol # Calculated enthalpy of reaction BF3OH-
# Enthalpy of formation: -403.317 kcal/mol
-analytic 3.3411e+2 -3.7303e-2 -8.6507e+3 -1.1345e+2 -1.3508e+2
# -Range: 0-300
4 F- + 3 H+ + B(OH)3 = BF4- + 3 H2O
-llnl_gamma 4
log_k 18.0049
-delta_H -16.4473 kJ/mol # Calculated enthalpy of reaction BF4-
# Enthalpy of formation: -376.4 kcal/mol
-analytic 2.5491e+2 1.0443e-1 -3.3332e+3 -1.0378e+2 -5.2087e+1
# -Range: 0-300
B(OH)3 = BO2- + H+ + H2O
-llnl_gamma 4
log_k -9.2449
-delta_H 16.3302 kJ/mol # Calculated enthalpy of reaction BO2-
# Enthalpy of formation: -184.6 kcal/mol
-analytic -1.05e+2 -3.3447e-2 1.4706e+3 4.0724e+1 2.2978e+1
# -Range: 0-300
2 HAcetate + Ba+2 = Ba(Acetate)2 + 2 H+
-llnl_gamma 3
log_k -8.0118
-delta_H 11.255 kJ/mol # Calculated enthalpy of reaction Ba(Acetate)2
# Enthalpy of formation: -358.01 kcal/mol
-analytic -1.4566e+1 3.1394e-4 -3.9564e+3 5.1906e+0 6.1407e+5
# -Range: 0-300
O_phthalate-2 + Ba+2 = Ba(O_phthalate)
-llnl_gamma 3
log_k 2.33
-delta_H 0 # Not possible to calculate enthalpy of reaction Ba(O_phthalate)
# Enthalpy of formation: -0 kcal/mol
H2O + Ba+2 + B(OH)3 = BaB(OH)4+ + H+
-llnl_gamma 4
log_k -7.8012
-delta_H 0 # Not possible to calculate enthalpy of reaction BaB(OH)4+
# Enthalpy of formation: -0 kcal/mol
Ba+2 + HAcetate = BaAcetate+ + H+
-llnl_gamma 4
log_k -3.7677
-delta_H 7.322 kJ/mol # Calculated enthalpy of reaction BaAcetate+
# Enthalpy of formation: -242.85 kcal/mol
-analytic -1.5623e+1 2.9282e-3 -3.9534e+2 4.3959e+0 1.2829e+5
# -Range: 0-300
HCO3- + Ba+2 = BaCO3 + H+
-llnl_gamma 3
log_k -7.6834
-delta_H 31.5808 kJ/mol # Calculated enthalpy of reaction BaCO3
# Enthalpy of formation: -285.85 kcal/mol
-analytic 2.1878e+2 5.2368e-2 -8.2472e+3 -8.6644e+1 -1.2875e+2
# -Range: 0-300
Cl- + Ba+2 = BaCl+
-llnl_gamma 4
log_k -0.4977
-delta_H 11.142 kJ/mol # Calculated enthalpy of reaction BaCl+
# Enthalpy of formation: -165.77 kcal/mol
-analytic 1.1016e+2 4.2325e-2 -2.8039e+3 -4.601e+1 -4.3785e+1
# -Range: 0-300
F- + Ba+2 = BaF+
-llnl_gamma 4
log_k -0.1833
-delta_H 8.95376 kJ/mol # Calculated enthalpy of reaction BaF+
# Enthalpy of formation: -206.51 kcal/mol
-analytic 1.0349e+2 4.0336e-2 -2.5195e+3 -4.3334e+1 -3.9346e+1
# -Range: 0-300
NO3- + Ba+2 = BaNO3+
-llnl_gamma 4
log_k 0.9
-delta_H 0 # Not possible to calculate enthalpy of reaction BaNO3+
# Enthalpy of formation: -0 kcal/mol
H2O + Ba+2 = BaOH+ + H+
-llnl_gamma 4
log_k -13.47
-delta_H 0 # Not possible to calculate enthalpy of reaction BaOH+
# Enthalpy of formation: -0 kcal/mol
2 HAcetate + Be+2 = Be(Acetate)2 + 2 H+
-llnl_gamma 3
log_k -6.8023
-delta_H -52.4255 kJ/mol # Calculated enthalpy of reaction Be(Acetate)2
# Enthalpy of formation: -336.23 kcal/mol
-analytic -3.5242e+1 5.1285e-3 -4.8914e+2 8.2862e+0 7.1774e+5
# -Range: 0-300
Be+2 + HAcetate = BeAcetate+ + H+
-llnl_gamma 4
log_k -3.1079
-delta_H -22.761 kJ/mol # Calculated enthalpy of reaction BeAcetate+
# Enthalpy of formation: -213.04 kcal/mol
-analytic -1.9418e+1 5.2172e-4 -8.5071e+1 5.2755e+0 3.0215e+5
# -Range: 0-300
2 H2O + Be+2 = BeO2-2 + 4 H+
-llnl_gamma 4
log_k -32.161
-delta_H 163.737 kJ/mol # Calculated enthalpy of reaction BeO2-2
# Enthalpy of formation: -189 kcal/mol
-analytic 7.086e+0 -3.8474e-2 -1.14e+4 4.2138e+0 -1.7789e+2
# -Range: 0-300
2 H+ + 2 Br- + 0.5 O2 = Br2 + H2O
-llnl_gamma 3
log_k 5.6834
-delta_H 0 # Not possible to calculate enthalpy of reaction Br2
# Enthalpy of formation: -0 kcal/mol
HCO3- + H+ = CO2 + H2O
-CO2_llnl_gamma
log_k 6.3447
-delta_H -9.7027 kJ/mol # Calculated enthalpy of reaction CO2
# Enthalpy of formation: -98.9 kcal/mol
-analytic -1.0534e+1 2.1746e-2 2.5216e+3 7.9125e-1 3.9351e+1
# -Range: 0-300
HCO3- = CO3-2 + H+
-llnl_gamma 4.5
log_k -10.3288
-delta_H 14.6984 kJ/mol # Calculated enthalpy of reaction CO3-2
# Enthalpy of formation: -161.385 kcal/mol
-analytic -6.9958e+1 -3.3526e-2 -7.0846e+1 2.8224e+1 -1.0849e+0
# -Range: 0-300
2 HAcetate + Ca+2 = Ca(Acetate)2 + 2 H+
-llnl_gamma 3
log_k -7.3814
-delta_H -2.7196 kJ/mol # Calculated enthalpy of reaction Ca(Acetate)2
# Enthalpy of formation: -362.65 kcal/mol
-analytic -1.032e+1 4.0012e-3 -3.6281e+3 2.4421e+0 7.0175e+5
# -Range: 0-300
O_phthalate-2 + Ca+2 = Ca(O_phthalate)
-llnl_gamma 3
log_k 2.42
-delta_H 0 # Not possible to calculate enthalpy of reaction Ca(O_phthalate)
# Enthalpy of formation: -0 kcal/mol
H2O + Ca+2 + B(OH)3 = CaB(OH)4+ + H+
-llnl_gamma 4
log_k -7.4222
-delta_H 0 # Not possible to calculate enthalpy of reaction CaB(OH)4+
# Enthalpy of formation: -0 kcal/mol
Ca+2 + HAcetate = CaAcetate+ + H+
-llnl_gamma 4
log_k -3.8263
-delta_H 1.17152 kJ/mol # Calculated enthalpy of reaction CaAcetate+
# Enthalpy of formation: -245.62 kcal/mol
-analytic -8.8826e+0 3.1672e-3 -1.0764e+3 2.0526e+0 2.3599e+5
# -Range: 0-300
HCO3- + Ca+2 = CaCO3 + H+
-llnl_gamma 3
log_k -7.0017
-delta_H 30.5767 kJ/mol # Calculated enthalpy of reaction CaCO3
# Enthalpy of formation: -287.39 kcal/mol
-analytic 2.3045e+2 5.535e-2 -8.5056e+3 -9.1096e+1 -1.3279e+2
# -Range: 0-300
Cl- + Ca+2 = CaCl+
-llnl_gamma 4
log_k -0.6956
-delta_H 2.02087 kJ/mol # Calculated enthalpy of reaction CaCl+
# Enthalpy of formation: -169.25 kcal/mol
-analytic 8.1498e+1 3.8387e-2 -1.3763e+3 -3.5968e+1 -2.1501e+1
# -Range: 0-300
2 Cl- + Ca+2 = CaCl2
-llnl_gamma 3
log_k -0.6436
-delta_H -5.8325 kJ/mol # Calculated enthalpy of reaction CaCl2
# Enthalpy of formation: -211.06 kcal/mol
-analytic 1.8178e+2 7.691e-2 -3.1088e+3 -7.876e+1 -4.8563e+1
# -Range: 0-300
F- + Ca+2 = CaF+
-llnl_gamma 4
log_k 0.6817
-delta_H 5.6484 kJ/mol # Calculated enthalpy of reaction CaF+
# Enthalpy of formation: -208.6 kcal/mol
-analytic 7.8058e+1 3.8276e-2 -1.3289e+3 -3.4071e+1 -2.0759e+1
# -Range: 0-300
HPO4-2 + H+ + Ca+2 = CaH2PO4+
-llnl_gamma 4
log_k 1.4
-delta_H 0 # Not possible to calculate enthalpy of reaction CaH2PO4+
# Enthalpy of formation: -0 kcal/mol
HCO3- + Ca+2 = CaHCO3+
-llnl_gamma 4
log_k 1.0467
-delta_H 1.45603 kJ/mol # Calculated enthalpy of reaction CaHCO3+
# Enthalpy of formation: -294.35 kcal/mol
-analytic 5.5985e+1 3.4639e-2 -3.6972e+2 -2.5864e+1 -5.7859e+0
# -Range: 0-300
HPO4-2 + Ca+2 = CaHPO4
-llnl_gamma 3
log_k 2.74
-delta_H 0 # Not possible to calculate enthalpy of reaction CaHPO4
# Enthalpy of formation: -0 kcal/mol
NO3- + Ca+2 = CaNO3+
-llnl_gamma 4
log_k 0.7
-delta_H 0 # Not possible to calculate enthalpy of reaction CaNO3+
# Enthalpy of formation: -0 kcal/mol
H2O + Ca+2 = CaOH+ + H+
-llnl_gamma 4
log_k -12.85
-delta_H 0 # Not possible to calculate enthalpy of reaction CaOH+
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Ca+2 = CaP2O7-2 + H2O
-llnl_gamma 4
log_k 3.0537
-delta_H 0 # Not possible to calculate enthalpy of reaction CaP2O7-2
# Enthalpy of formation: -0 kcal/mol
HPO4-2 + Ca+2 = CaPO4- + H+
-llnl_gamma 4
log_k -5.8618
-delta_H 0 # Not possible to calculate enthalpy of reaction CaPO4-
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Ca+2 = CaSO4
-llnl_gamma 3
log_k 2.1111
-delta_H 5.4392 kJ/mol # Calculated enthalpy of reaction CaSO4
# Enthalpy of formation: -345.9 kcal/mol
-analytic 2.8618e+2 8.4084e-2 -7.688e+3 -1.1449e+2 -1.2005e+2
# -Range: 0-300
2 HAcetate + Cd+2 = Cd(Acetate)2 + 2 H+
-llnl_gamma 3
log_k -6.3625
-delta_H -17.4891 kJ/mol # Calculated enthalpy of reaction Cd(Acetate)2
# Enthalpy of formation: -254.52 kcal/mol
-analytic -1.9344e+1 2.5894e-3 -3.2847e+3 5.8489e+0 7.8041e+5
# -Range: 0-300
3 HAcetate + Cd+2 = Cd(Acetate)3- + 3 H+
-llnl_gamma 4
log_k -10.8558
-delta_H -40.0409 kJ/mol # Calculated enthalpy of reaction Cd(Acetate)3-
# Enthalpy of formation: -376.01 kcal/mol
-analytic 4.829e+1 -3.4317e-3 -1.5122e+4 -1.3203e+1 2.2479e+6
# -Range: 0-300
4 HAcetate + Cd+2 = Cd(Acetate)4-2 + 4 H+
-llnl_gamma 4
log_k -16.9163
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Acetate)4-2
# Enthalpy of formation: -0 kcal/mol
2 Cyanide- + Cd+2 = Cd(Cyanide)2
-llnl_gamma 3
log_k 10.3551
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)2
# Enthalpy of formation: -0 kcal/mol
3 Cyanide- + Cd+2 = Cd(Cyanide)3-
-llnl_gamma 4
log_k 14.8191
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)3-
# Enthalpy of formation: -0 kcal/mol
4 Cyanide- + Cd+2 = Cd(Cyanide)4-2
-llnl_gamma 4
log_k 18.267
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)4-2
# Enthalpy of formation: -0 kcal/mol
2 HCO3- + Cd+2 = Cd(CO3)2-2 + 2 H+
-llnl_gamma 4
log_k -14.2576
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(CO3)2-2
# Enthalpy of formation: -0 kcal/mol
2 N3- + Cd+2 = Cd(N3)2
-llnl_gamma 0
log_k 2.4606
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)2
# Enthalpy of formation: -0 kcal/mol
3 N3- + Cd+2 = Cd(N3)3-
-llnl_gamma 4
log_k 3.1263
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)3-
# Enthalpy of formation: -0 kcal/mol
4 N3- + Cd+2 = Cd(N3)4-2
-llnl_gamma 4
log_k 3.4942
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)4-2
# Enthalpy of formation: -0 kcal/mol
NH3 + Cd+2 = Cd(NH3)+2
-llnl_gamma 4.5
log_k 2.5295
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(NH3)+2
# Enthalpy of formation: -0 kcal/mol
2 NH3 + Cd+2 = Cd(NH3)2+2
-llnl_gamma 4.5
log_k 4.876
-delta_H -27.6533 kJ/mol # Calculated enthalpy of reaction Cd(NH3)2+2
# Enthalpy of formation: -266.225 kJ/mol
-analytic 1.0738e+2 1.6071e-3 -3.2536e+3 -3.7202e+1 -5.0801e+1
# -Range: 0-300
4 NH3 + Cd+2 = Cd(NH3)4+2
-llnl_gamma 4.5
log_k 7.2914
-delta_H -49.0684 kJ/mol # Calculated enthalpy of reaction Cd(NH3)4+2
# Enthalpy of formation: -450.314 kJ/mol
-analytic 1.567e+2 -9.4949e-3 -5.0986e+3 -5.2316e+1 -7.9603e+1
# -Range: 0-300
2 H2O + Cd+2 = Cd(OH)2 + 2 H+
-llnl_gamma 3
log_k -20.3402
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)2
# Enthalpy of formation: -0 kcal/mol
3 H2O + Cd+2 = Cd(OH)3- + 3 H+
-llnl_gamma 4
log_k -33.2852
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)3-
# Enthalpy of formation: -0 kcal/mol
4 H2O + Cd+2 = Cd(OH)4-2 + 4 H+
-llnl_gamma 4
log_k -47.3303
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)4-2
# Enthalpy of formation: -0 kcal/mol
H2O + Cl- + Cd+2 = Cd(OH)Cl + H+
-llnl_gamma 3
log_k -7.4328
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)Cl
# Enthalpy of formation: -0 kcal/mol
2 Thiocyanate- + Cd+2 = Cd(Thiocyanate)2
-llnl_gamma 3
log_k 1.8649
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Thiocyanate)2
# Enthalpy of formation: -0 kcal/mol
3 Thiocyanate- + Cd+2 = Cd(Thiocyanate)3-
-llnl_gamma 4
log_k 1.9
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Thiocyanate)3-
# Enthalpy of formation: -0 kcal/mol
2 Cd+2 + H2O = Cd2OH+3 + H+
-llnl_gamma 5
log_k -9.3851
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd2OH+3
# Enthalpy of formation: -0 kcal/mol
4 H2O + 4 Cd+2 = Cd4(OH)4+4 + 4 H+
-llnl_gamma 5.5
log_k -362.1263
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd4(OH)4+4
# Enthalpy of formation: -0 kcal/mol
Cd+2 + Br- = CdBr+
-llnl_gamma 4
log_k 2.1424
-delta_H -3.35588 kJ/mol # Calculated enthalpy of reaction CdBr+
# Enthalpy of formation: -200.757 kJ/mol
-analytic 1.4922e+2 5.0059e-2 -3.3035e+3 -6.0984e+1 -5.1593e+1
# -Range: 0-300
2 Br- + Cd+2 = CdBr2
-llnl_gamma 3
log_k 2.8614
-delta_H 0 # Not possible to calculate enthalpy of reaction CdBr2
# Enthalpy of formation: -0 kcal/mol
3 Br- + Cd+2 = CdBr3-
-llnl_gamma 4
log_k 3.0968
-delta_H 0 # Not possible to calculate enthalpy of reaction CdBr3-
# Enthalpy of formation: -0 kcal/mol
Cd+2 + HAcetate = CdAcetate+ + H+
-llnl_gamma 4
log_k -2.8294
-delta_H -7.02912 kJ/mol # Calculated enthalpy of reaction CdAcetate+
# Enthalpy of formation: -135.92 kcal/mol
-analytic -8.8425e+0 1.7178e-3 -1.1758e+3 2.4435e+0 3.0321e+5
# -Range: 0-300
Cd+2 + Cyanide- = CdCyanide+
-llnl_gamma 4
log_k 5.3129
-delta_H 0 # Not possible to calculate enthalpy of reaction CdCyanide+
# Enthalpy of formation: -0 kcal/mol
HCO3- + Cd+2 = CdCO3 + H+
-llnl_gamma 3
log_k -7.3288
-delta_H 0 # Not possible to calculate enthalpy of reaction CdCO3
# Enthalpy of formation: -0 kcal/mol
Cl- + Cd+2 = CdCl+
-llnl_gamma 4
log_k 2.7059
-delta_H 2.33843 kJ/mol # Calculated enthalpy of reaction CdCl+
# Enthalpy of formation: -240.639 kJ/mol
2 Cl- + Cd+2 = CdCl2
-llnl_gamma 3
log_k 3.3384
-delta_H 5.1261 kJ/mol # Calculated enthalpy of reaction CdCl2
# Enthalpy of formation: -404.931 kJ/mol
-analytic 1.4052e+2 4.9221e-2 -3.2625e+3 -5.6946e+1 -5.5451e+1
# -Range: 0-200
3 Cl- + Cd+2 = CdCl3-
-llnl_gamma 4
log_k 2.7112
-delta_H 15.9388 kJ/mol # Calculated enthalpy of reaction CdCl3-
# Enthalpy of formation: -561.198 kJ/mol
-analytic 3.5108e+2 1.0219e-1 -9.9103e+3 -1.3965e+2 -1.5474e+2
# -Range: 0-300
HCO3- + Cd+2 = CdHCO3+
-llnl_gamma 4
log_k 1.5
-delta_H 0 # Not possible to calculate enthalpy of reaction CdHCO3+
# Enthalpy of formation: -0 kcal/mol
I- + Cd+2 = CdI+
-llnl_gamma 4
log_k 2.071
-delta_H -9.02584 kJ/mol # Calculated enthalpy of reaction CdI+
# Enthalpy of formation: -141.826 kJ/mol
-analytic 1.5019e+2 5.032e-2 -3.081e+3 -6.1738e+1 -4.812e+1
# -Range: 0-300
2 I- + Cd+2 = CdI2
-llnl_gamma 3
log_k 3.4685
-delta_H 0 # Not possible to calculate enthalpy of reaction CdI2
# Enthalpy of formation: -0 kcal/mol
3 I- + Cd+2 = CdI3-
-llnl_gamma 4
log_k 4.5506
-delta_H 0 # Not possible to calculate enthalpy of reaction CdI3-
# Enthalpy of formation: -0 kcal/mol
4 I- + Cd+2 = CdI4-2
-llnl_gamma 4
log_k 5.3524
-delta_H -38.8566 kJ/mol # Calculated enthalpy of reaction CdI4-2
# Enthalpy of formation: -342.364 kJ/mol
-analytic 4.3154e+2 1.4257e-1 -8.4464e+3 -1.7795e+2 -1.3193e+2
# -Range: 0-300
N3- + Cd+2 = CdN3+
-llnl_gamma 4
log_k 1.497
-delta_H 0 # Not possible to calculate enthalpy of reaction CdN3+
# Enthalpy of formation: -0 kcal/mol
NO2- + Cd+2 = CdNO2+
-llnl_gamma 4
log_k 2.37
-delta_H 0 # Not possible to calculate enthalpy of reaction CdNO2+
# Enthalpy of formation: -0 kcal/mol
H2O + Cd+2 = CdOH+ + H+
-llnl_gamma 4
log_k -10.0751
-delta_H 0 # Not possible to calculate enthalpy of reaction CdOH+
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Cd+2 = CdP2O7-2 + H2O
-llnl_gamma 4
log_k 4.8094
-delta_H 0 # Not possible to calculate enthalpy of reaction CdP2O7-2
# Enthalpy of formation: -0 kcal/mol
Thiocyanate- + Cd+2 = CdThiocyanate+
-llnl_gamma 4
log_k 1.3218
-delta_H 0 # Not possible to calculate enthalpy of reaction CdThiocyanate+
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Cd+2 = CdSO4
-llnl_gamma 3
log_k 0.0028
-delta_H 0.20436 kJ/mol # Calculated enthalpy of reaction CdSO4
# Enthalpy of formation: -985.295 kJ/mol
-analytic -8.9926e+0 -1.9109e-3 2.7454e+2 3.4949e+0 4.6651e+0
# -Range: 0-200
SeO4-2 + Cd+2 = CdSeO4
-llnl_gamma 3
log_k 2.27
-delta_H 0 # Not possible to calculate enthalpy of reaction CdSeO4
# Enthalpy of formation: -0 kcal/mol
2 HAcetate + Ce+3 = Ce(Acetate)2+ + 2 H+
-llnl_gamma 4
log_k -4.8159
-delta_H -22.9702 kJ/mol # Calculated enthalpy of reaction Ce(Acetate)2+
# Enthalpy of formation: -405.09 kcal/mol
-analytic -3.4653e+1 2.0716e-4 -6.34e+2 1.0678e+1 4.8922e+5
# -Range: 0-300
3 HAcetate + Ce+3 = Ce(Acetate)3 + 3 H+
-llnl_gamma 3
log_k -8.151
-delta_H -38.7438 kJ/mol # Calculated enthalpy of reaction Ce(Acetate)3
# Enthalpy of formation: -524.96 kcal/mol
-analytic -2.3361e+1 2.3896e-3 -1.8035e+3 5.0888e+0 7.1021e+5
# -Range: 0-300
2 HCO3- + Ce+3 = Ce(CO3)2- + 2 H+
-llnl_gamma 4
log_k -8.1576
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Ce+3 = Ce(HPO4)2-
-llnl_gamma 4
log_k 8.7
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2 H2O + Ce+4 = Ce(OH)2+2 + 2 H+
-llnl_gamma 4.5
log_k 2.0098
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)2+2
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Ce+3 = Ce(PO4)2-3 + 2 H+
-llnl_gamma 4
log_k -6.1437
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2 H2O + 2 Ce+4 = Ce2(OH)2+6 + 2 H+
-llnl_gamma 6
log_k 3.0098
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce2(OH)2+6
# Enthalpy of formation: -0 kcal/mol
5 H2O + 3 Ce+3 = Ce3(OH)5+4 + 5 H+
-llnl_gamma 5.5
log_k -33.4754
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce3(OH)5+4
# Enthalpy of formation: -0 kcal/mol
Ce+3 + Br- = CeBr+2
-llnl_gamma 4.5
log_k 0.3797
-delta_H 3.0585 kJ/mol # Calculated enthalpy of reaction CeBr+2
# Enthalpy of formation: -195.709 kcal/mol
-analytic 7.579e+1 3.604e-2 -1.2647e+3 -3.3094e+1 -1.9757e+1
# -Range: 0-300
Ce+3 + HAcetate = CeAcetate+2 + H+
-llnl_gamma 4.5
log_k -2.0304
-delta_H -12.0918 kJ/mol # Calculated enthalpy of reaction CeAcetate+2
# Enthalpy of formation: -286.39 kcal/mol
-analytic -1.608e+1 6.6239e-4 -6.0721e+2 5.0845e+0 2.9512e+5
# -Range: 0-300
HCO3- + Ce+3 = CeCO3+ + H+
-llnl_gamma 4
log_k -2.9284
-delta_H 93.345 kJ/mol # Calculated enthalpy of reaction CeCO3+
# Enthalpy of formation: -309.988 kcal/mol
-analytic 2.3292e+2 5.3153e-2 -7.118e+3 -9.2061e+1 -1.1114e+2
# -Range: 0-300
Cl- + Ce+3 = CeCl+2
-llnl_gamma 4.5
log_k 0.3086
-delta_H 14.7821 kJ/mol # Calculated enthalpy of reaction CeCl+2
# Enthalpy of formation: -203.8 kcal/mol
-analytic 8.3534e+1 3.8166e-2 -2.0058e+3 -3.5504e+1 -3.1324e+1
# -Range: 0-300
2 Cl- + Ce+3 = CeCl2+
-llnl_gamma 4
log_k 0.0308
-delta_H 20.7777 kJ/mol # Calculated enthalpy of reaction CeCl2+
# Enthalpy of formation: -242.3 kcal/mol
-analytic 2.3011e+2 8.1428e-2 -6.1292e+3 -9.4468e+1 -9.5708e+1
# -Range: 0-300
3 Cl- + Ce+3 = CeCl3
-llnl_gamma 3
log_k -0.3936
-delta_H 15.4766 kJ/mol # Calculated enthalpy of reaction CeCl3
# Enthalpy of formation: -283.5 kcal/mol
-analytic 4.4073e+2 1.2994e-1 -1.2308e+4 -1.7722e+2 -1.9218e+2
# -Range: 0-300
4 Cl- + Ce+3 = CeCl4-
-llnl_gamma 4
log_k -0.7447
-delta_H -1.95811 kJ/mol # Calculated enthalpy of reaction CeCl4-
# Enthalpy of formation: -327.6 kcal/mol
-analytic 5.223e+2 1.349e-1 -1.4859e+4 -2.0747e+2 -2.3201e+2
# -Range: 0-300
ClO4- + Ce+3 = CeClO4+2
-llnl_gamma 4.5
log_k 1.9102
-delta_H -49.0197 kJ/mol # Calculated enthalpy of reaction CeClO4+2
# Enthalpy of formation: -210.026 kcal/mol
-analytic -1.3609e+1 1.8115e-2 3.9869e+3 -1.3033e+0 6.2215e+1
# -Range: 0-300
F- + Ce+3 = CeF+2
-llnl_gamma 4.5
log_k 4.2221
-delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction CeF+2
# Enthalpy of formation: -242 kcal/mol
-analytic 1.0303e+2 4.173e-2 -2.8424e+3 -4.1094e+1 -4.4383e+1
# -Range: 0-300
2 F- + Ce+3 = CeF2+
-llnl_gamma 4
log_k 7.2714
-delta_H 15.0624 kJ/mol # Calculated enthalpy of reaction CeF2+
# Enthalpy of formation: -324.1 kcal/mol
-analytic 2.5063e+2 8.5224e-2 -6.2219e+3 -1.0017e+2 -9.716e+1
# -Range: 0-300
3 F- + Ce+3 = CeF3
-llnl_gamma 3
log_k 9.5144
-delta_H -6.0668 kJ/mol # Calculated enthalpy of reaction CeF3
# Enthalpy of formation: -409.3 kcal/mol
-analytic 4.6919e+2 1.3664e-1 -1.1745e+4 -1.8629e+2 -1.834e+2
# -Range: 0-300
4 F- + Ce+3 = CeF4-
-llnl_gamma 4
log_k 11.3909
-delta_H -45.6056 kJ/mol # Calculated enthalpy of reaction CeF4-
# Enthalpy of formation: -498.9 kcal/mol
-analytic 5.3522e+2 1.3856e-1 -1.2722e+4 -2.1112e+2 -1.9868e+2
# -Range: 0-300
HPO4-2 + H+ + Ce+3 = CeH2PO4+2
-llnl_gamma 4.5
log_k 9.6684
-delta_H -16.2548 kJ/mol # Calculated enthalpy of reaction CeH2PO4+2
# Enthalpy of formation: -480.1 kcal/mol
-analytic 1.1338e+2 6.3771e-2 5.2908e+1 -4.9649e+1 7.9189e-1
# -Range: 0-300
HCO3- + Ce+3 = CeHCO3+2
-llnl_gamma 4.5
log_k 1.919
-delta_H 8.77803 kJ/mol # Calculated enthalpy of reaction CeHCO3+2
# Enthalpy of formation: -330.2 kcal/mol
-analytic 4.4441e+1 3.2077e-2 -3.0714e+2 -2.0622e+1 -4.806e+0
# -Range: 0-300
HPO4-2 + Ce+3 = CeHPO4+
-llnl_gamma 4
log_k 5.2
-delta_H 0 # Not possible to calculate enthalpy of reaction CeHPO4+
# Enthalpy of formation: -0 kcal/mol
IO3- + Ce+3 = CeIO3+2
-llnl_gamma 4.5
log_k 1.9
-delta_H -21.1627 kJ/mol # Calculated enthalpy of reaction CeIO3+2
# Enthalpy of formation: -225.358 kcal/mol
-analytic 3.3756e+1 2.8528e-2 1.2847e+3 -1.8042e+1 2.0036e+1
# -Range: 0-300
NO3- + Ce+3 = CeNO3+2
-llnl_gamma 4.5
log_k 1.3143
-delta_H -26.6563 kJ/mol # Calculated enthalpy of reaction CeNO3+2
# Enthalpy of formation: -223.2 kcal/mol
-analytic 2.2772e+1 2.5931e-2 1.995e+3 -1.449e+1 3.1124e+1
# -Range: 0-300
H2O + Ce+3 = CeO+ + 2 H+
-llnl_gamma 4
log_k -16.4103
-delta_H 112.202 kJ/mol # Calculated enthalpy of reaction CeO+
# Enthalpy of formation: -208.9 kcal/mol
-analytic 1.9881e+2 3.1302e-2 -1.4331e+4 -7.1323e+1 -2.2368e+2
# -Range: 0-300
2 H2O + Ce+3 = CeO2- + 4 H+
-llnl_gamma 4
log_k -38.758
-delta_H 308.503 kJ/mol # Calculated enthalpy of reaction CeO2-
# Enthalpy of formation: -230.3 kcal/mol
-analytic 1.0059e+2 3.4824e-3 -1.5873e+4 -3.3056e+1 -4.7656e+5
# -Range: 0-300
2 H2O + Ce+3 = CeO2H + 3 H+
-llnl_gamma 3
log_k -26.1503
-delta_H 228.17 kJ/mol # Calculated enthalpy of reaction CeO2H
# Enthalpy of formation: -249.5 kcal/mol
-analytic 3.565e+2 4.6708e-2 -2.432e+4 -1.2731e+2 -3.7959e+2
# -Range: 0-300
H2O + Ce+3 = CeOH+2 + H+
-llnl_gamma 4.5
log_k -8.4206
-delta_H 73.2911 kJ/mol # Calculated enthalpy of reaction CeOH+2
# Enthalpy of formation: -218.2 kcal/mol
-analytic 7.5809e+1 1.2863e-2 -6.7244e+3 -2.6473e+1 -1.0495e+2
# -Range: 0-300
H2O + Ce+4 = CeOH+3 + H+
-llnl_gamma 5
log_k 3.2049
-delta_H 0 # Not possible to calculate enthalpy of reaction CeOH+3
# Enthalpy of formation: -0 kcal/mol
HPO4-2 + Ce+3 = CePO4 + H+
-llnl_gamma 3
log_k -0.9718
-delta_H 0 # Not possible to calculate enthalpy of reaction CePO4
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Ce+3 = CeSO4+
-llnl_gamma 4
log_k -3.687
-delta_H 19.2464 kJ/mol # Calculated enthalpy of reaction CeSO4+
# Enthalpy of formation: -380.2 kcal/mol
-analytic 3.0156e+2 8.5149e-2 -1.1025e+4 -1.1866e+2 -1.7213e+2
# -Range: 0-300
2 HAcetate + Co+2 = Co(Acetate)2 + 2 H+
-llnl_gamma 3
log_k -7.1468
-delta_H -22.4262 kJ/mol # Calculated enthalpy of reaction Co(Acetate)2
# Enthalpy of formation: -251.46 kcal/mol
-analytic -2.0661e+1 2.9014e-3 -2.2146e+3 5.1702e+0 6.4968e+5
# -Range: 0-300
3 HAcetate + Co+2 = Co(Acetate)3- + 3 H+
-llnl_gamma 4
log_k -11.281
-delta_H -48.2415 kJ/mol # Calculated enthalpy of reaction Co(Acetate)3-
# Enthalpy of formation: -373.73 kcal/mol
-analytic 6.3384e+1 -4.0669e-3 -1.4715e+4 -1.9518e+1 2.1524e+6
# -Range: 0-300
2 HS- + Co+2 = Co(HS)2
-llnl_gamma 3
log_k 9.0306
-delta_H 0 # Not possible to calculate enthalpy of reaction Co(HS)2
# Enthalpy of formation: -0 kcal/mol
2 H2O + Co+2 = Co(OH)2 + 2 H+
-llnl_gamma 3
log_k -18.8
-delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)2
# Enthalpy of formation: -0 kcal/mol
4 H2O + Co+2 = Co(OH)4-2 + 4 H+
-llnl_gamma 4
log_k -45.7803
-delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)4-2
# Enthalpy of formation: -0 kcal/mol
H2O + 2 Co+2 = Co2OH+3 + H+
-llnl_gamma 5
log_k -11.2
-delta_H 0 # Not possible to calculate enthalpy of reaction Co2OH+3
# Enthalpy of formation: -0 kcal/mol
4 H2O + 4 Co+2 = Co4(OH)4+4 + 4 H+
-llnl_gamma 5.5
log_k -30.3803
-delta_H 0 # Not possible to calculate enthalpy of reaction Co4(OH)4+4
# Enthalpy of formation: -0 kcal/mol
2 Br- + Co+2 = CoBr2
-llnl_gamma 3
log_k -0.0358
-delta_H -0.56568 kJ/mol # Calculated enthalpy of reaction CoBr2
# Enthalpy of formation: -301.73 kJ/mol
-analytic 5.8731e+0 8.0908e-4 -1.8986e+2 -2.2295e+0 -3.2261e+0
# -Range: 0-200
Co+2 + HAcetate = CoAcetate+ + H+
-llnl_gamma 4
log_k -3.2985
-delta_H -8.70272 kJ/mol # Calculated enthalpy of reaction CoAcetate+
# Enthalpy of formation: -132.08 kcal/mol
-analytic -5.4858e+0 1.9147e-3 -1.1292e+3 9.0555e-1 2.8223e+5
# -Range: 0-300
Co+2 + Cl- = CoCl+
-llnl_gamma 4
log_k 0.1547
-delta_H 1.71962 kJ/mol # Calculated enthalpy of reaction CoCl+
# Enthalpy of formation: -53.422 kcal/mol
-analytic 1.5234e+2 5.6958e-2 -3.3258e+3 -6.3849e+1 -5.1942e+1
# -Range: 0-300
HS- + Co+2 = CoHS+
-llnl_gamma 4
log_k 5.9813
-delta_H 0 # Not possible to calculate enthalpy of reaction CoHS+
# Enthalpy of formation: -0 kcal/mol
2 I- + Co+2 = CoI2
-llnl_gamma 3
log_k -0.0944
-delta_H 3.1774 kJ/mol # Calculated enthalpy of reaction CoI2
# Enthalpy of formation: -168.785 kJ/mol
-analytic 3.6029e+1 1.0128e-2 -1.1219e+3 -1.4301e+1 -1.9064e+1
# -Range: 0-200
NO3- + Co+2 = CoNO3+
-llnl_gamma 4
log_k 0.2
-delta_H 0 # Not possible to calculate enthalpy of reaction CoNO3+
# Enthalpy of formation: -0 kcal/mol
Co+2 + S2O3-2 = CoS2O3
-llnl_gamma 3
log_k 0.8063
-delta_H 0 # Not possible to calculate enthalpy of reaction CoS2O3
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Co+2 = CoSO4
-llnl_gamma 3
log_k 0.0436
-delta_H 0.3842 kJ/mol # Calculated enthalpy of reaction CoSO4
# Enthalpy of formation: -967.375 kJ/mol
-analytic 2.4606e+0 1.0086e-3 -6.145e+1 -1.0148e+0 -1.0444e+0
# -Range: 0-200
SeO4-2 + Co+2 = CoSeO4
-llnl_gamma 3
log_k 2.7
-delta_H 0 # Not possible to calculate enthalpy of reaction CoSeO4
# Enthalpy of formation: -0 kcal/mol
2 H2O + Cr+3 = Cr(OH)2+ + 2 H+
-llnl_gamma 4
log_k -9.7
-delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)2+
# Enthalpy of formation: -0 kcal/mol
3 H2O + Cr+3 = Cr(OH)3 + 3 H+
-llnl_gamma 3
log_k -18
-delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)3
# Enthalpy of formation: -0 kcal/mol
4 H2O + Cr+3 = Cr(OH)4- + 4 H+
-llnl_gamma 4
log_k -27.4
-delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)4-
# Enthalpy of formation: -0 kcal/mol
2 H2O + 2 Cr+3 = Cr2(OH)2+4 + 2 H+
-llnl_gamma 5.5
log_k -5.06
-delta_H 0 # Not possible to calculate enthalpy of reaction Cr2(OH)2+4
# Enthalpy of formation: -0 kcal/mol
2 H+ + 2 CrO4-2 = Cr2O7-2 + H2O
-llnl_gamma 4
log_k 14.5192
-delta_H -13.8783 kJ/mol # Calculated enthalpy of reaction Cr2O7-2
# Enthalpy of formation: -356.2 kcal/mol
-analytic 1.3749e+2 6.5773e-2 -7.9472e+2 -5.6525e+1 -1.2441e+1
# -Range: 0-300
4 H2O + 3 Cr+3 = Cr3(OH)4+5 + 4 H+
-llnl_gamma 6
log_k -8.15
-delta_H 0 # Not possible to calculate enthalpy of reaction Cr3(OH)4+5
# Enthalpy of formation: -0 kcal/mol
Cr+3 + Br- = CrBr+2
-llnl_gamma 4.5
log_k -2.7813
-delta_H 33.564 kJ/mol # Calculated enthalpy of reaction CrBr+2
# Enthalpy of formation: -78.018 kcal/mol
-analytic 9.4384e+1 3.4704e-2 -3.675e+3 -3.8461e+1 -5.7373e+1
# -Range: 0-300
Cr+3 + Cl- = CrCl+2
-llnl_gamma 4.5
log_k -0.149
-delta_H 0 # Not possible to calculate enthalpy of reaction CrCl+2
# Enthalpy of formation: -0 kcal/mol
2 Cl- + Cr+3 = CrCl2+
-llnl_gamma 4
log_k 0.1596
-delta_H 41.2919 kJ/mol # Calculated enthalpy of reaction CrCl2+
# Enthalpy of formation: -126.997 kcal/mol
-analytic 2.0114e+2 7.3878e-2 -6.2218e+3 -8.1677e+1 -9.7144e+1
# -Range: 0-300
Cl- + 2 H+ + CrO4-2 = CrO3Cl- + H2O
-llnl_gamma 4
log_k 7.527
-delta_H 0 # Not possible to calculate enthalpy of reaction CrO3Cl-
# Enthalpy of formation: -0 kcal/mol
-analytic 2.7423e+2 1.0013e-1 -6.0072e+3 -1.1168e+2 -9.3817e+1
# -Range: 0-300
H2O + Cr+3 = CrOH+2 + H+
-llnl_gamma 4.5
log_k -4
-delta_H 0 # Not possible to calculate enthalpy of reaction CrOH+2
# Enthalpy of formation: -0 kcal/mol
2 HAcetate + Cs+ = Cs(Acetate)2- + 2 H+
-llnl_gamma 4
log_k -9.771
-delta_H 1.2552 kJ/mol # Calculated enthalpy of reaction Cs(Acetate)2-
# Enthalpy of formation: -293.57 kcal/mol
-analytic -1.6956e+2 -4.0378e-2 4.5773e+3 6.3241e+1 7.1475e+1
# -Range: 0-300
Cs+ + Br- = CsBr
-llnl_gamma 3
log_k -0.2712
-delta_H 10.9621 kJ/mol # Calculated enthalpy of reaction CsBr
# Enthalpy of formation: -88.09 kcal/mol
-analytic 1.2064e+2 3.2e-2 -3.877e+3 -4.7458e+1 -6.0533e+1
# -Range: 0-300
Cs+ + HAcetate = CsAcetate + H+
-llnl_gamma 3
log_k -4.7352
-delta_H 6.0668 kJ/mol # Calculated enthalpy of reaction CsAcetate
# Enthalpy of formation: -176.32 kcal/mol
-analytic 2.428e+1 -2.8642e-3 -3.1339e+3 -8.1616e+0 2.2684e+5
# -Range: 0-300
Cs+ + Cl- = CsCl
-llnl_gamma 3
log_k -0.1385
-delta_H 2.73215 kJ/mol # Calculated enthalpy of reaction CsCl
# Enthalpy of formation: -100.95 kcal/mol
-analytic 1.2472e+2 3.373e-2 -3.913e+3 -4.9212e+1 -6.1096e+1
# -Range: 0-300
I- + Cs+ = CsI
-llnl_gamma 3
log_k 0.2639
-delta_H -6.56888 kJ/mol # Calculated enthalpy of reaction CsI
# Enthalpy of formation: -76.84 kcal/mol
-analytic 1.1555e+2 3.1419e-2 -3.3496e+3 -4.5828e+1 -5.2302e+1
# -Range: 0-300
2 HAcetate + Cu+2 = Cu(Acetate)2 + 2 H+
-llnl_gamma 3
log_k -5.8824
-delta_H -25.899 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)2
# Enthalpy of formation: -222.69 kcal/mol
-analytic -2.6689e+1 1.8048e-3 -1.8244e+3 7.7008e+0 6.5408e+5
# -Range: 0-300
2 HAcetate + Cu+ = Cu(Acetate)2- + 2 H+
-llnl_gamma 4
log_k -9.2139
-delta_H -19.5476 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)2-
# Enthalpy of formation: -219.74 kcal/mol
-analytic -3.2712e+2 -5.9087e-2 1.1386e+4 1.2017e+2 1.7777e+2
# -Range: 0-300
3 HAcetate + Cu+2 = Cu(Acetate)3- + 3 H+
-llnl_gamma 4
log_k -9.3788
-delta_H -53.2205 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)3-
# Enthalpy of formation: -345.32 kcal/mol
-analytic 3.9475e+1 -6.2867e-3 -1.3233e+4 -1.0643e+1 2.1121e+6
# -Range: 0-300
2 HCO3- + Cu+2 = Cu(CO3)2-2 + 2 H+
-llnl_gamma 4
log_k -10.4757
-delta_H 0 # Not possible to calculate enthalpy of reaction Cu(CO3)2-2
# Enthalpy of formation: -0 kcal/mol
2 NH3 + Cu+2 = Cu(NH3)2+2
-llnl_gamma 4.5
log_k 7.4512
-delta_H -45.1269 kJ/mol # Calculated enthalpy of reaction Cu(NH3)2+2
# Enthalpy of formation: -142.112 kJ/mol
-analytic 1.1526e+2 4.8192e-3 -2.5139e+3 -4.0733e+1 -3.9261e+1
# -Range: 0-300
3 NH3 + Cu+2 = Cu(NH3)3+2
-llnl_gamma 4.5
log_k 10.2719
-delta_H -67.2779 kJ/mol # Calculated enthalpy of reaction Cu(NH3)3+2
# Enthalpy of formation: -245.6 kJ/mol
-analytic 1.3945e+2 -3.8236e-4 -2.8137e+3 -4.8336e+1 -4.3946e+1
# -Range: 0-300
2 NO2- + Cu+2 = Cu(NO2)2
-llnl_gamma 3
log_k 3.03
-delta_H 0 # Not possible to calculate enthalpy of reaction Cu(NO2)2
# Enthalpy of formation: -0 kcal/mol
Cu+ + HAcetate = CuAcetate + H+
-llnl_gamma 3
log_k -4.4274
-delta_H -4.19237 kJ/mol # Calculated enthalpy of reaction CuAcetate
# Enthalpy of formation: -99.97 kcal/mol
-analytic 6.3784e+0 -4.5464e-4 -1.9995e+3 -2.8359e+0 2.7224e+5
# -Range: 0-300
Cu+2 + HAcetate = CuAcetate+ + H+
-llnl_gamma 4
log_k -2.5252
-delta_H -11.3805 kJ/mol # Calculated enthalpy of reaction CuAcetate+
# Enthalpy of formation: -103.12 kcal/mol
-analytic -1.493e+1 5.1278e-4 -3.4874e+2 4.3605e+0 2.3504e+5
# -Range: 0-300
2 H2O + HCO3- + Cu+2 = CuCO3(OH)2-2 + 3 H+
-llnl_gamma 4
log_k -23.444
-delta_H 0 # Not possible to calculate enthalpy of reaction CuCO3(OH)2-2
# Enthalpy of formation: -0 kcal/mol
HCO3- + Cu+2 = CuCO3 + H+
-llnl_gamma 3
log_k -3.3735
-delta_H 0 # Not possible to calculate enthalpy of reaction CuCO3
# Enthalpy of formation: -0 kcal/mol
Cu+2 + Cl- = CuCl+
-llnl_gamma 4
log_k 0.437
-delta_H 0 # Not possible to calculate enthalpy of reaction CuCl+
# Enthalpy of formation: -0 kcal/mol
2 Cl- + Cu+2 = CuCl2
-llnl_gamma 3
log_k 0.1585
-delta_H 0 # Not possible to calculate enthalpy of reaction CuCl2
# Enthalpy of formation: -0 kcal/mol
2 Cl- + Cu+ = CuCl2-
-llnl_gamma 4
log_k 4.8212
-delta_H 0 # Not possible to calculate enthalpy of reaction CuCl2-
# Enthalpy of formation: -0 kcal/mol
3 Cl- + Cu+ = CuCl3-2
-llnl_gamma 4
log_k 5.6289
-delta_H 0 # Not possible to calculate enthalpy of reaction CuCl3-2
# Enthalpy of formation: -0 kcal/mol
4 Cl- + Cu+2 = CuCl4-2
-llnl_gamma 4
log_k -4.5681
-delta_H 0 # Not possible to calculate enthalpy of reaction CuCl4-2
# Enthalpy of formation: -0 kcal/mol
F- + Cu+2 = CuF+
-llnl_gamma 4
log_k 1.2
-delta_H 0 # Not possible to calculate enthalpy of reaction CuF+
# Enthalpy of formation: -0 kcal/mol
HPO4-2 + H+ + Cu+2 = CuH2PO4+
-llnl_gamma 4
log_k 8.9654
-delta_H 0 # Not possible to calculate enthalpy of reaction CuH2PO4+
# Enthalpy of formation: -0 kcal/mol
HPO4-2 + Cu+2 = CuHPO4
-llnl_gamma 3
log_k 4.06
-delta_H 0 # Not possible to calculate enthalpy of reaction CuHPO4
# Enthalpy of formation: -0 kcal/mol
NH3 + Cu+2 = CuNH3+2
-llnl_gamma 4.5
log_k 4.04
-delta_H 0 # Not possible to calculate enthalpy of reaction CuNH3+2
# Enthalpy of formation: -0 kcal/mol
NO2- + Cu+2 = CuNO2+
-llnl_gamma 4
log_k 2.02
-delta_H 0 # Not possible to calculate enthalpy of reaction CuNO2+
# Enthalpy of formation: -0 kcal/mol
2 H2O + Cu+2 = CuO2-2 + 4 H+
-llnl_gamma 4
log_k -39.4497
-delta_H 0 # Not possible to calculate enthalpy of reaction CuO2-2
# Enthalpy of formation: -0 kcal/mol
H2O + Cu+2 = CuOH+ + H+
-llnl_gamma 4
log_k -7.2875
-delta_H 0 # Not possible to calculate enthalpy of reaction CuOH+
# Enthalpy of formation: -0 kcal/mol
HPO4-2 + Cu+2 = CuPO4- + H+
-llnl_gamma 4
log_k -2.4718
-delta_H 0 # Not possible to calculate enthalpy of reaction CuPO4-
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Cu+2 = CuSO4
-llnl_gamma 0
log_k 2.36
-delta_H 0 # Not possible to calculate enthalpy of reaction CuSO4
# Enthalpy of formation: -0 kcal/mol
2 HAcetate + Dy+3 = Dy(Acetate)2+ + 2 H+
-llnl_gamma 4
log_k -4.9625
-delta_H -29.3298 kJ/mol # Calculated enthalpy of reaction Dy(Acetate)2+
# Enthalpy of formation: -405.71 kcal/mol
-analytic -2.7249e+1 2.7507e-3 -1.75e+3 7.9356e+0 6.8668e+5
# -Range: 0-300
3 HAcetate + Dy+3 = Dy(Acetate)3 + 3 H+
-llnl_gamma 3
log_k -8.3489
-delta_H -49.4549 kJ/mol # Calculated enthalpy of reaction Dy(Acetate)3
# Enthalpy of formation: -526.62 kcal/mol
-analytic -2.4199e+1 6.2065e-3 -2.8937e+3 5.0176e+0 1.0069e+6
# -Range: 0-300
2 HCO3- + Dy+3 = Dy(CO3)2- + 2 H+
-llnl_gamma 4
log_k -7.4576
-delta_H 0 # Not possible to calculate enthalpy of reaction Dy(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Dy+3 = Dy(HPO4)2-
-llnl_gamma 4
log_k 9.8
-delta_H 0 # Not possible to calculate enthalpy of reaction Dy(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
# Redundant with DyO2-
#4.0000 H2O + 1.0000 Dy+++ = Dy(OH)4- +4.0000 H+
# -llnl_gamma 4.0
# log_k -33.4803
# -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)4-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Dy+3 = Dy(PO4)2-3 + 2 H+
-llnl_gamma 4
log_k -3.4437
-delta_H 0 # Not possible to calculate enthalpy of reaction Dy(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Dy+3 = Dy(SO4)2-
-llnl_gamma 4
log_k 5
-delta_H 0 # Not possible to calculate enthalpy of reaction Dy(SO4)2-
# Enthalpy of formation: -0 kcal/mol
Dy+3 + HAcetate = DyAcetate+2 + H+
-llnl_gamma 4.5
log_k -2.1037
-delta_H -14.8532 kJ/mol # Calculated enthalpy of reaction DyAcetate+2
# Enthalpy of formation: -286.15 kcal/mol
-analytic -1.3635e+1 1.7329e-3 -9.4636e+2 4.09e+0 3.6282e+5
# -Range: 0-300
HCO3- + Dy+3 = DyCO3+ + H+
-llnl_gamma 4
log_k -2.3324
-delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction DyCO3+
# Enthalpy of formation: -310.1 kcal/mol
-analytic 2.3742e+2 5.4342e-2 -6.9953e+3 -9.3949e+1 -1.0922e+2
# -Range: 0-300
Dy+3 + Cl- = DyCl+2
-llnl_gamma 4.5
log_k 0.2353
-delta_H 13.5269 kJ/mol # Calculated enthalpy of reaction DyCl+2
# Enthalpy of formation: -203.2 kcal/mol
-analytic 6.9134e+1 3.7129e-2 -1.3839e+3 -3.0432e+1 -2.1615e+1
# -Range: 0-300
2 Cl- + Dy+3 = DyCl2+
-llnl_gamma 4
log_k -0.0425
-delta_H 17.4305 kJ/mol # Calculated enthalpy of reaction DyCl2+
# Enthalpy of formation: -242.2 kcal/mol
-analytic 1.8868e+2 7.7901e-2 -4.3528e+3 -7.9735e+1 -6.7978e+1
# -Range: 0-300
3 Cl- + Dy+3 = DyCl3
-llnl_gamma 3
log_k -0.4669
-delta_H 8.78222 kJ/mol # Calculated enthalpy of reaction DyCl3
# Enthalpy of formation: -284.2 kcal/mol
-analytic 3.6761e+2 1.2471e-1 -9.0651e+3 -1.5147e+2 -1.4156e+2
# -Range: 0-300
4 Cl- + Dy+3 = DyCl4-
-llnl_gamma 4
log_k -0.8913
-delta_H -14.0917 kJ/mol # Calculated enthalpy of reaction DyCl4-
# Enthalpy of formation: -329.6 kcal/mol
-analytic 3.9134e+2 1.2288e-1 -9.2351e+3 -1.6078e+2 -1.4422e+2
# -Range: 0-300
F- + Dy+3 = DyF+2
-llnl_gamma 4.5
log_k 4.6619
-delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction DyF+2
# Enthalpy of formation: -241.1 kcal/mol
-analytic 9.112e+1 4.1193e-2 -2.3302e+3 -3.6734e+1 -3.6388e+1
# -Range: 0-300
2 F- + Dy+3 = DyF2+
-llnl_gamma 4
log_k 8.151
-delta_H 12.552 kJ/mol # Calculated enthalpy of reaction DyF2+
# Enthalpy of formation: -323.8 kcal/mol
-analytic 2.1325e+2 8.2483e-2 -4.5864e+3 -8.6587e+1 -7.1629e+1
# -Range: 0-300
3 F- + Dy+3 = DyF3
-llnl_gamma 3
log_k 10.7605
-delta_H -11.9244 kJ/mol # Calculated enthalpy of reaction DyF3
# Enthalpy of formation: -409.8 kcal/mol
-analytic 3.9766e+2 1.3143e-1 -8.5607e+3 -1.6056e+2 -1.337e+2
# -Range: 0-300
4 F- + Dy+3 = DyF4-
-llnl_gamma 4
log_k 12.8569
-delta_H -57.3208 kJ/mol # Calculated enthalpy of reaction DyF4-
# Enthalpy of formation: -500.8 kcal/mol
-analytic 4.1672e+2 1.2922e-1 -7.4445e+3 -1.6867e+2 -1.1629e+2
# -Range: 0-300
HPO4-2 + H+ + Dy+3 = DyH2PO4+2
-llnl_gamma 4.5
log_k 9.3751
-delta_H -18.3468 kJ/mol # Calculated enthalpy of reaction DyH2PO4+2
# Enthalpy of formation: -479.7 kcal/mol
-analytic 9.8183e+1 6.2578e-2 7.1784e+2 -4.4383e+1 1.1172e+1
# -Range: 0-300
HCO3- + Dy+3 = DyHCO3+2
-llnl_gamma 4.5
log_k 1.6991
-delta_H 7.10443 kJ/mol # Calculated enthalpy of reaction DyHCO3+2
# Enthalpy of formation: -329.7 kcal/mol
-analytic 2.8465e+1 3.0703e-2 3.9229e+2 -1.5036e+1 6.1127e+0
# -Range: 0-300
HPO4-2 + Dy+3 = DyHPO4+
-llnl_gamma 4
log_k 5.8
-delta_H 0 # Not possible to calculate enthalpy of reaction DyHPO4+
# Enthalpy of formation: -0 kcal/mol
NO3- + Dy+3 = DyNO3+2
-llnl_gamma 4.5
log_k 0.1415
-delta_H -30.4219 kJ/mol # Calculated enthalpy of reaction DyNO3+2
# Enthalpy of formation: -223.2 kcal/mol
-analytic 6.4353e+0 2.4556e-2 2.5866e+3 -8.9975e+0 4.0359e+1
# -Range: 0-300
H2O + Dy+3 = DyO+ + 2 H+
-llnl_gamma 4
log_k -16.1171
-delta_H 108.018 kJ/mol # Calculated enthalpy of reaction DyO+
# Enthalpy of formation: -209 kcal/mol
-analytic 1.9069e+2 3.0358e-2 -1.3796e+4 -6.8532e+1 -2.1532e+2
# -Range: 0-300
2 H2O + Dy+3 = DyO2- + 4 H+
-llnl_gamma 4
log_k -33.4804
-delta_H 273.776 kJ/mol # Calculated enthalpy of reaction DyO2-
# Enthalpy of formation: -237.7 kcal/mol
-analytic 7.7395e+1 4.4204e-4 -1.357e+4 -2.4546e+1 -4.232e+5
# -Range: 0-300
2 H2O + Dy+3 = DyO2H + 3 H+
-llnl_gamma 3
log_k -24.8309
-delta_H 217.71 kJ/mol # Calculated enthalpy of reaction DyO2H
# Enthalpy of formation: -251.1 kcal/mol
-analytic 3.3576e+2 4.6004e-2 -2.2868e+4 -1.2027e+2 -3.5693e+2
# -Range: 0-300
H2O + Dy+3 = DyOH+2 + H+
-llnl_gamma 4.5
log_k -7.8342
-delta_H 76.6383 kJ/mol # Calculated enthalpy of reaction DyOH+2
# Enthalpy of formation: -216.5 kcal/mol
-analytic 7.0856e+1 1.2473e-2 -6.2419e+3 -2.4841e+1 -9.742e+1
# -Range: 0-300
HPO4-2 + Dy+3 = DyPO4 + H+
-llnl_gamma 3
log_k 0.1782
-delta_H 0 # Not possible to calculate enthalpy of reaction DyPO4
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Dy+3 = DySO4+
-llnl_gamma 4
log_k 3.643
-delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction DySO4+
# Enthalpy of formation: -379 kcal/mol
-analytic 3.0672e+2 8.6459e-2 -9.0386e+3 -1.2063e+2 -1.4113e+2
# -Range: 0-300
2 HAcetate + Er+3 = Er(Acetate)2+ + 2 H+
-llnl_gamma 4
log_k -4.9844
-delta_H -32.8026 kJ/mol # Calculated enthalpy of reaction Er(Acetate)2+
# Enthalpy of formation: -408.54 kcal/mol
-analytic -3.1458e+1 1.4715e-3 -1.0556e+3 9.1586e+0 6.1669e+5
# -Range: 0-300
3 HAcetate + Er+3 = Er(Acetate)3 + 3 H+
-llnl_gamma 3
log_k -8.3783
-delta_H -55.187 kJ/mol # Calculated enthalpy of reaction Er(Acetate)3
# Enthalpy of formation: -529.99 kcal/mol
-analytic -2.1575e+1 5.974e-3 -2.0489e+3 3.3624e+0 8.8933e+5
# -Range: 0-300
2 HCO3- + Er+3 = Er(CO3)2- + 2 H+
-llnl_gamma 4
log_k -7.2576
-delta_H 0 # Not possible to calculate enthalpy of reaction Er(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Er+3 = Er(HPO4)2-
-llnl_gamma 4
log_k 10
-delta_H 0 # Not possible to calculate enthalpy of reaction Er(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
# Redundant with ErO2-
#4.0000 H2O + 1.0000 Er+++ = Er(OH)4- +4.0000 H+
# -llnl_gamma 4.0
# log_k -32.5803
# -delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)4-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Er+3 = Er(PO4)2-3 + 2 H+
-llnl_gamma 4
log_k -3.2437
-delta_H 0 # Not possible to calculate enthalpy of reaction Er(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Er+3 = Er(SO4)2-
-llnl_gamma 4
log_k 5
-delta_H 0 # Not possible to calculate enthalpy of reaction Er(SO4)2-
# Enthalpy of formation: -0 kcal/mol
Er+3 + HAcetate = ErAcetate+2 + H+
-llnl_gamma 4.5
log_k -2.1184
-delta_H -16.4013 kJ/mol # Calculated enthalpy of reaction ErAcetate+2
# Enthalpy of formation: -288.52 kcal/mol
-analytic -1.2519e+1 1.5558e-3 -8.5344e+2 3.5918e+0 3.4888e+5
# -Range: 0-300
HCO3- + Er+3 = ErCO3+ + H+
-llnl_gamma 4
log_k -2.1858
-delta_H 87.0188 kJ/mol # Calculated enthalpy of reaction ErCO3+
# Enthalpy of formation: -312.6 kcal/mol
-analytic 2.3838e+2 5.4549e-2 -6.9433e+3 -9.4373e+1 -1.0841e+2
# -Range: 0-300
Er+3 + Cl- = ErCl+2
-llnl_gamma 4.5
log_k 0.3086
-delta_H 12.6901 kJ/mol # Calculated enthalpy of reaction ErCl+2
# Enthalpy of formation: -205.4 kcal/mol
-analytic 7.4113e+1 3.7462e-2 -1.53e+3 -3.2257e+1 -2.3896e+1
# -Range: 0-300
2 Cl- + Er+3 = ErCl2+
-llnl_gamma 4
log_k -0.0425
-delta_H 15.3385 kJ/mol # Calculated enthalpy of reaction ErCl2+
# Enthalpy of formation: -244.7 kcal/mol
-analytic 2.0259e+2 7.8907e-2 -4.8271e+3 -8.4835e+1 -7.5382e+1
# -Range: 0-300
3 Cl- + Er+3 = ErCl3
-llnl_gamma 3
log_k -0.4669
-delta_H 5.01662 kJ/mol # Calculated enthalpy of reaction ErCl3
# Enthalpy of formation: -287.1 kcal/mol
-analytic 3.9721e+2 1.2757e-1 -1.0045e+4 -1.6244e+2 -1.5686e+2
# -Range: 0-300
4 Cl- + Er+3 = ErCl4-
-llnl_gamma 4
log_k -0.8913
-delta_H -20.7861 kJ/mol # Calculated enthalpy of reaction ErCl4-
# Enthalpy of formation: -333.2 kcal/mol
-analytic 4.3471e+2 1.2627e-1 -1.0669e+4 -1.7677e+2 -1.666e+2
# -Range: 0-300
F- + Er+3 = ErF+2
-llnl_gamma 4.5
log_k 4.7352
-delta_H 24.058 kJ/mol # Calculated enthalpy of reaction ErF+2
# Enthalpy of formation: -242.9 kcal/mol
-analytic 9.7079e+1 4.1707e-2 -2.6028e+3 -3.8805e+1 -4.0643e+1
# -Range: 0-300
2 F- + Er+3 = ErF2+
-llnl_gamma 4
log_k 8.2976
-delta_H 12.9704 kJ/mol # Calculated enthalpy of reaction ErF2+
# Enthalpy of formation: -325.7 kcal/mol
-analytic 2.2892e+2 8.3842e-2 -5.2174e+3 -9.2172e+1 -8.1481e+1
# -Range: 0-300
3 F- + Er+3 = ErF3
-llnl_gamma 3
log_k 10.9071
-delta_H -12.3428 kJ/mol # Calculated enthalpy of reaction ErF3
# Enthalpy of formation: -411.9 kcal/mol
-analytic 4.2782e+2 1.3425e-1 -9.7064e+3 -1.7148e+2 -1.5158e+2
# -Range: 0-300
4 F- + Er+3 = ErF4-
-llnl_gamma 4
log_k 13.0768
-delta_H -60.2496 kJ/mol # Calculated enthalpy of reaction ErF4-
# Enthalpy of formation: -503.5 kcal/mol
-analytic 4.6524e+2 1.3372e-1 -9.1895e+3 -1.8636e+2 -1.4353e+2
# -Range: 0-300
HPO4-2 + H+ + Er+3 = ErH2PO4+2
-llnl_gamma 4.5
log_k 9.4484
-delta_H -20.4388 kJ/mol # Calculated enthalpy of reaction ErH2PO4+2
# Enthalpy of formation: -482.2 kcal/mol
-analytic 1.0254e+2 6.2786e-2 6.359e+2 -4.6029e+1 9.892e+0
# -Range: 0-300
HCO3- + Er+3 = ErHCO3+2
-llnl_gamma 4.5
log_k 1.7724
-delta_H 5.01243 kJ/mol # Calculated enthalpy of reaction ErHCO3+2
# Enthalpy of formation: -332.2 kcal/mol
-analytic 3.245e+1 3.0822e-2 3.1601e+2 -1.6528e+1 4.9212e+0
# -Range: 0-300
HPO4-2 + Er+3 = ErHPO4+
-llnl_gamma 4
log_k 5.9
-delta_H 0 # Not possible to calculate enthalpy of reaction ErHPO4+
# Enthalpy of formation: -0 kcal/mol
NO3- + Er+3 = ErNO3+2
-llnl_gamma 4.5
log_k 0.1415
-delta_H -33.7691 kJ/mol # Calculated enthalpy of reaction ErNO3+2
# Enthalpy of formation: -226 kcal/mol
-analytic 1.0381e+1 2.471e-2 2.5752e+3 -1.0596e+1 4.0181e+1
# -Range: 0-300
H2O + Er+3 = ErO+ + 2 H+
-llnl_gamma 4
log_k -15.9705
-delta_H 105.508 kJ/mol # Calculated enthalpy of reaction ErO+
# Enthalpy of formation: -211.6 kcal/mol
-analytic 1.7556e+2 2.8655e-2 -1.3134e+4 -6.305e+1 -2.0499e+2
# -Range: 0-300
2 H2O + Er+3 = ErO2- + 4 H+
-llnl_gamma 4
log_k -32.6008
-delta_H 266.245 kJ/mol # Calculated enthalpy of reaction ErO2-
# Enthalpy of formation: -241.5 kcal/mol
-analytic 1.4987e+2 9.1241e-3 -1.8521e+4 -4.974e+1 -2.8905e+2
# -Range: 0-300
2 H2O + Er+3 = ErO2H + 3 H+
-llnl_gamma 3
log_k -24.3178
-delta_H 212.689 kJ/mol # Calculated enthalpy of reaction ErO2H
# Enthalpy of formation: -254.3 kcal/mol
-analytic 3.1493e+2 4.4381e-2 -2.1821e+4 -1.1287e+2 -3.4059e+2
# -Range: 0-300
H2O + Er+3 = ErOH+2 + H+
-llnl_gamma 4.5
log_k -7.7609
-delta_H 74.5463 kJ/mol # Calculated enthalpy of reaction ErOH+2
# Enthalpy of formation: -219 kcal/mol
-analytic 5.7142e+1 1.0986e-2 -5.6684e+3 -1.9867e+1 -8.8467e+1
# -Range: 0-300
HPO4-2 + Er+3 = ErPO4 + H+
-llnl_gamma 3
log_k 0.3782
-delta_H 0 # Not possible to calculate enthalpy of reaction ErPO4
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Er+3 = ErSO4+
-llnl_gamma 4
log_k 3.5697
-delta_H 20.3008 kJ/mol # Calculated enthalpy of reaction ErSO4+
# Enthalpy of formation: -381.048 kcal/mol
-analytic 3.0363e+2 8.5667e-2 -8.9667e+3 -1.1942e+2 -1.4001e+2
# -Range: 0-300
2 HAcetate + Eu+3 = Eu(Acetate)2+ + 2 H+
-llnl_gamma 4
log_k -4.6912
-delta_H -28.3257 kJ/mol # Calculated enthalpy of reaction Eu(Acetate)2+
# Enthalpy of formation: -383.67 kcal/mol
-analytic -2.7589e+1 1.5772e-3 -1.1008e+3 7.9899e+0 5.6652e+5
# -Range: 0-300
3 HAcetate + Eu+3 = Eu(Acetate)3 + 3 H+
-llnl_gamma 3
log_k -7.9824
-delta_H -47.3629 kJ/mol # Calculated enthalpy of reaction Eu(Acetate)3
# Enthalpy of formation: -504.32 kcal/mol
-analytic -3.747e+1 1.9276e-3 -1.0318e+3 9.7078e+0 7.4558e+5
# -Range: 0-300
2 HCO3- + Eu+3 = Eu(CO3)2- + 2 H+
-llnl_gamma 4
log_k -8.3993
-delta_H 0 # Not possible to calculate enthalpy of reaction Eu(CO3)2-
# Enthalpy of formation: -0 kcal/mol
3 HCO3- + Eu+3 = Eu(CO3)3-3 + 3 H+
-llnl_gamma 4
log_k -16.8155
-delta_H 0 # Not possible to calculate enthalpy of reaction Eu(CO3)3-3
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Eu+3 = Eu(HPO4)2-
-llnl_gamma 4
log_k 9.6
-delta_H 0 # Not possible to calculate enthalpy of reaction Eu(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
# Redundant with EuO+
#2.0000 H2O + 1.0000 Eu+++ = Eu(OH)2+ +2.0000 H+
# -llnl_gamma 4.0
# log_k -14.8609
# -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2+
## Enthalpy of formation: -0 kcal/mol
2 H2O + HCO3- + Eu+3 = Eu(OH)2CO3- + 3 H+
-llnl_gamma 4
log_k -17.8462
-delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2CO3-
# Enthalpy of formation: -0 kcal/mol
# Redundant with EuO2H
#3.0000 H2O + 1.0000 Eu+++ = Eu(OH)3 +3.0000 H+
# -llnl_gamma 3.0
# log_k -24.1253
# -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)3
## Enthalpy of formation: -0 kcal/mol
# Redundant with EuO2-
#4.0000 H2O + 1.0000 Eu+++ = Eu(OH)4- +4.0000 H+
# -llnl_gamma 4.0
# log_k -36.5958
# -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)4-
## Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Eu+3 = Eu(PO4)2-3 + 2 H+
-llnl_gamma 4
log_k -3.9837
-delta_H 0 # Not possible to calculate enthalpy of reaction Eu(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Eu+3 = Eu(SO4)2-
-llnl_gamma 4
log_k 5.4693
-delta_H 25.627 kJ/mol # Calculated enthalpy of reaction Eu(SO4)2-
# Enthalpy of formation: -2399 kJ/mol
-analytic 4.5178e+2 1.2285e-1 -1.34e+4 -1.7697e+2 -2.0922e+2
# -Range: 0-300
2 H2O + 2 Eu+3 = Eu2(OH)2+4 + 2 H+
-llnl_gamma 5.5
log_k -6.9182
-delta_H 0 # Not possible to calculate enthalpy of reaction Eu2(OH)2+4
# Enthalpy of formation: -0 kcal/mol
Eu+3 + Br- = EuBr+2
-llnl_gamma 4.5
log_k 0.5572
-delta_H 0 # Not possible to calculate enthalpy of reaction EuBr+2
# Enthalpy of formation: -0 kcal/mol
2 Br- + Eu+3 = EuBr2+
-llnl_gamma 4
log_k 0.2145
-delta_H 0 # Not possible to calculate enthalpy of reaction EuBr2+
# Enthalpy of formation: -0 kcal/mol
Eu+3 + BrO3- = EuBrO3+2
-llnl_gamma 4.5
log_k 4.5823
-delta_H 0 # Not possible to calculate enthalpy of reaction EuBrO3+2
# Enthalpy of formation: -0 kcal/mol
Eu+3 + HAcetate = EuAcetate+2 + H+
-llnl_gamma 4.5
log_k -1.9571
-delta_H -14.5603 kJ/mol # Calculated enthalpy of reaction EuAcetate+2
# Enthalpy of formation: -264.28 kcal/mol
-analytic -1.509e+1 1.0352e-3 -6.4435e+2 4.6225e+0 3.1649e+5
# -Range: 0-300
HCO3- + Eu+3 = EuCO3+ + H+
-llnl_gamma 4
log_k -2.4057
-delta_H 90.7844 kJ/mol # Calculated enthalpy of reaction EuCO3+
# Enthalpy of formation: -287.9 kcal/mol
-analytic 2.3548e+2 5.3819e-2 -6.9908e+3 -9.3137e+1 -1.0915e+2
# -Range: 0-300
Eu+2 + Cl- = EuCl+
-llnl_gamma 4
log_k 0.3819
-delta_H 8.50607 kJ/mol # Calculated enthalpy of reaction EuCl+
# Enthalpy of formation: -164 kcal/mol
-analytic 6.8695e+1 3.7619e-2 -1.0809e+3 -3.0665e+1 -1.6887e+1
# -Range: 0-300
Eu+3 + Cl- = EuCl+2
-llnl_gamma 4.5
log_k 0.3086
-delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction EuCl+2
# Enthalpy of formation: -181.3 kcal/mol
-analytic 7.9275e+1 3.7878e-2 -1.7895e+3 -3.4041e+1 -2.7947e+1
# -Range: 0-300
2 Cl- + Eu+2 = EuCl2
-llnl_gamma 3
log_k 1.2769
-delta_H 5.71534 kJ/mol # Calculated enthalpy of reaction EuCl2
# Enthalpy of formation: -204.6 kcal/mol
-analytic 1.0474e+2 6.7132e-2 -7.0448e+2 -4.8928e+1 -1.1024e+1
# -Range: 0-300
2 Cl- + Eu+3 = EuCl2+
-llnl_gamma 4
log_k -0.0425
-delta_H 18.6857 kJ/mol # Calculated enthalpy of reaction EuCl2+
# Enthalpy of formation: -220.1 kcal/mol
-analytic 2.1758e+2 8.0336e-2 -5.5499e+3 -9.0087e+1 -8.6665e+1
# -Range: 0-300
3 Cl- + Eu+3 = EuCl3
-llnl_gamma 3
log_k -0.4669
-delta_H 11.2926 kJ/mol # Calculated enthalpy of reaction EuCl3
# Enthalpy of formation: -261.8 kcal/mol
-analytic 4.2075e+2 1.289e-1 -1.1288e+4 -1.7043e+2 -1.7627e+2
# -Range: 0-300
3 Cl- + Eu+2 = EuCl3-
-llnl_gamma 4
log_k 2.0253
-delta_H -3.76978 kJ/mol # Calculated enthalpy of reaction EuCl3-
# Enthalpy of formation: -246.8 kcal/mol
-analytic 1.1546e+1 6.4683e-2 3.7299e+3 -1.6672e+1 5.8196e+1
# -Range: 0-300
4 Cl- + Eu+3 = EuCl4-
-llnl_gamma 4
log_k -0.8913
-delta_H -9.90771 kJ/mol # Calculated enthalpy of reaction EuCl4-
# Enthalpy of formation: -306.8 kcal/mol
-analytic 4.8122e+2 1.3081e-1 -1.295e+4 -1.9302e+2 -2.0222e+2
# -Range: 0-300
4 Cl- + Eu+2 = EuCl4-2
-llnl_gamma 4
log_k 2.847
-delta_H -19.9493 kJ/mol # Calculated enthalpy of reaction EuCl4-2
# Enthalpy of formation: -290.6 kcal/mol
-analytic -1.2842e+2 5.0789e-2 9.8815e+3 3.3565e+1 1.5423e+2
# -Range: 0-300
F- + Eu+2 = EuF+
-llnl_gamma 4
log_k -1.3487
-delta_H 16.9452 kJ/mol # Calculated enthalpy of reaction EuF+
# Enthalpy of formation: -202.2 kcal/mol
-analytic 6.2412e+1 3.5839e-2 -1.366e+3 -2.8223e+1 -2.1333e+1
# -Range: 0-300
F- + Eu+3 = EuF+2
-llnl_gamma 4.5
log_k 4.442
-delta_H 23.6396 kJ/mol # Calculated enthalpy of reaction EuF+2
# Enthalpy of formation: -219.2 kcal/mol
-analytic 1.0063e+2 4.1834e-2 -2.7355e+3 -4.0195e+1 -4.2714e+1
# -Range: 0-300
2 F- + Eu+2 = EuF2
-llnl_gamma 3
log_k -2.0378
-delta_H 17.5728 kJ/mol # Calculated enthalpy of reaction EuF2
# Enthalpy of formation: -282.2 kcal/mol
-analytic 1.2065e+2 7.1705e-2 -1.7998e+3 -5.576e+1 -2.8121e+1
# -Range: 0-300
2 F- + Eu+3 = EuF2+
-llnl_gamma 4
log_k 7.7112
-delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction EuF2+
# Enthalpy of formation: -301.7 kcal/mol
-analytic 2.4099e+2 8.4714e-2 -5.7702e+3 -9.664e+1 -9.0109e+1
# -Range: 0-300
3 F- + Eu+3 = EuF3
-llnl_gamma 3
log_k 10.1741
-delta_H -8.9956 kJ/mol # Calculated enthalpy of reaction EuF3
# Enthalpy of formation: -387.3 kcal/mol
-analytic 4.5022e+2 1.356e-1 -1.0801e+4 -1.7951e+2 -1.6867e+2
# -Range: 0-300
3 F- + Eu+2 = EuF3-
-llnl_gamma 4
log_k -2.5069
-delta_H 3.5564 kJ/mol # Calculated enthalpy of reaction EuF3-
# Enthalpy of formation: -365.7 kcal/mol
-analytic -2.8441e+1 5.5972e-2 4.4573e+3 -2.2782e+0 6.9558e+1
# -Range: 0-300
4 F- + Eu+3 = EuF4-
-llnl_gamma 4
log_k 12.1239
-delta_H -52.3 kJ/mol # Calculated enthalpy of reaction EuF4-
# Enthalpy of formation: -477.8 kcal/mol
-analytic 5.0246e+2 1.3629e-1 -1.1092e+4 -1.9952e+2 -1.7323e+2
# -Range: 0-300
4 F- + Eu+2 = EuF4-2
-llnl_gamma 4
log_k -2.8294
-delta_H -37.656 kJ/mol # Calculated enthalpy of reaction EuF4-2
# Enthalpy of formation: -455.7 kcal/mol
-analytic -1.873e+2 3.9237e-2 1.2303e+4 5.3179e+1 1.9204e+2
# -Range: 0-300
HPO4-2 + H+ + Eu+3 = EuH2PO4+2
-llnl_gamma 4.5
log_k 9.4484
-delta_H -17.0916 kJ/mol # Calculated enthalpy of reaction EuH2PO4+2
# Enthalpy of formation: -457.6 kcal/mol
-analytic 1.0873e+2 6.3416e-2 2.7202e+2 -4.8113e+1 4.2122e+0
# -Range: 0-300
HCO3- + Eu+3 = EuHCO3+2
-llnl_gamma 4.5
log_k 1.6258
-delta_H 8.77803 kJ/mol # Calculated enthalpy of reaction EuHCO3+2
# Enthalpy of formation: -307.5 kcal/mol
-analytic 3.9266e+1 3.1608e-2 -9.8731e+1 -1.8875e+1 -1.5524e+0
# -Range: 0-300
HPO4-2 + Eu+3 = EuHPO4+
-llnl_gamma 4
log_k 5.7
-delta_H 0 # Not possible to calculate enthalpy of reaction EuHPO4+
# Enthalpy of formation: -0 kcal/mol
IO3- + Eu+3 = EuIO3+2
-llnl_gamma 4.5
log_k 2.156
-delta_H 11.8314 kJ/mol # Calculated enthalpy of reaction EuIO3+2
# Enthalpy of formation: -814.927 kJ/mol
-analytic 1.497e+2 4.7369e-2 -4.1559e+3 -5.9687e+1 -6.4893e+1
# -Range: 0-300
NO3- + Eu+3 = EuNO3+2
-llnl_gamma 4.5
log_k 0.8745
-delta_H -32.0955 kJ/mol # Calculated enthalpy of reaction EuNO3+2
# Enthalpy of formation: -201.8 kcal/mol
-analytic 1.7398e+1 2.5467e-2 2.2683e+3 -1.281e+1 3.5389e+1
# -Range: 0-300
H2O + Eu+3 = EuO+ + 2 H+
-llnl_gamma 4
log_k -16.337
-delta_H 110.947 kJ/mol # Calculated enthalpy of reaction EuO+
# Enthalpy of formation: -186.5 kcal/mol
-analytic 1.8876e+2 3.0194e-2 -1.3836e+4 -6.777e+1 -2.1595e+2
# -Range: 0-300
2 H2O + Eu+3 = EuO2- + 4 H+
-llnl_gamma 4
log_k -34.5066
-delta_H 281.307 kJ/mol # Calculated enthalpy of reaction EuO2-
# Enthalpy of formation: -214.1 kcal/mol
-analytic 7.5244e+1 3.7089e-4 -1.3587e+4 -2.3859e+1 -4.6713e+5
# -Range: 0-300
2 H2O + Eu+3 = EuO2H + 3 H+
-llnl_gamma 3
log_k -25.4173
-delta_H 222.313 kJ/mol # Calculated enthalpy of reaction EuO2H
# Enthalpy of formation: -228.2 kcal/mol
-analytic 3.6754e+2 5.3868e-2 -2.4034e+4 -1.3272e+2 -3.7514e+2
# -Range: 0-300
2 HCO3- + H2O + Eu+3 = EuOH(CO3)2-2 + 3 H+
-llnl_gamma 4
log_k -15.176
-delta_H 0 # Not possible to calculate enthalpy of reaction EuOH(CO3)2-2
# Enthalpy of formation: -0 kcal/mol
H2O + Eu+3 = EuOH+2 + H+
-llnl_gamma 4.5
log_k -7.9075
-delta_H 78.0065 kJ/mol # Calculated enthalpy of reaction EuOH+2
# Enthalpy of formation: -194.373 kcal/mol
-analytic 6.7691e+1 1.2066e-2 -6.1871e+3 -2.3617e+1 -9.6563e+1
# -Range: 0-300
HCO3- + H2O + Eu+3 = EuOHCO3 + 2 H+
-llnl_gamma 3
log_k -8.4941
-delta_H 0 # Not possible to calculate enthalpy of reaction EuOHCO3
# Enthalpy of formation: -0 kcal/mol
HPO4-2 + Eu+3 = EuPO4 + H+
-llnl_gamma 3
log_k -0.1218
-delta_H 0 # Not possible to calculate enthalpy of reaction EuPO4
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Eu+3 = EuSO4+
-llnl_gamma 4
log_k 3.643
-delta_H 62.3416 kJ/mol # Calculated enthalpy of reaction EuSO4+
# Enthalpy of formation: -347.2 kcal/mol
-analytic 3.0587e+2 8.6208e-2 -9.0387e+3 -1.2026e+2 -1.4113e+2
# -Range: 0-300
2 HAcetate + Fe+2 = Fe(Acetate)2 + 2 H+
-llnl_gamma 3
log_k -7.0295
-delta_H -20.2924 kJ/mol # Calculated enthalpy of reaction Fe(Acetate)2
# Enthalpy of formation: -259.1 kcal/mol
-analytic -2.9862e+1 1.3901e-3 -1.6908e+3 8.6283e+0 6.0125e+5
# -Range: 0-300
2 H2O + Fe+2 = Fe(OH)2 + 2 H+
-llnl_gamma 3
log_k -20.6
-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)2
# Enthalpy of formation: -0 kcal/mol
2 H2O + Fe+3 = Fe(OH)2+ + 2 H+
-llnl_gamma 4
log_k -5.67
-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)2+
# Enthalpy of formation: -0 kcal/mol
3 H2O + Fe+3 = Fe(OH)3 + 3 H+
-llnl_gamma 3
log_k -12
-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)3
# Enthalpy of formation: -0 kcal/mol
3 H2O + Fe+2 = Fe(OH)3- + 3 H+
-llnl_gamma 4
log_k -31
-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)3-
# Enthalpy of formation: -0 kcal/mol
4 H2O + Fe+3 = Fe(OH)4- + 4 H+
-llnl_gamma 4
log_k -21.6
-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)4-
# Enthalpy of formation: -0 kcal/mol
4 H2O + Fe+2 = Fe(OH)4-2 + 4 H+
-llnl_gamma 4
log_k -46
-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)4-2
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Fe+3 = Fe(SO4)2-
-llnl_gamma 4
log_k 3.2137
-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(SO4)2-
# Enthalpy of formation: -0 kcal/mol
2 H2O + 2 Fe+3 = Fe2(OH)2+4 + 2 H+
-llnl_gamma 5.5
log_k -2.95
-delta_H 0 # Not possible to calculate enthalpy of reaction Fe2(OH)2+4
# Enthalpy of formation: -0 kcal/mol
4 H2O + 3 Fe+3 = Fe3(OH)4+5 + 4 H+
-llnl_gamma 6
log_k -6.3
-delta_H 0 # Not possible to calculate enthalpy of reaction Fe3(OH)4+5
# Enthalpy of formation: -0 kcal/mol
Fe+2 + HAcetate = FeAcetate+ + H+
-llnl_gamma 4
log_k -3.4671
-delta_H -3.80744 kJ/mol # Calculated enthalpy of reaction FeAcetate+
# Enthalpy of formation: -139.06 kcal/mol
-analytic -1.3781e+1 9.6253e-4 -7.531e+2 4.0135e+0 2.3416e+5
# -Range: 0-300
HCO3- + Fe+2 = FeCO3 + H+
-llnl_gamma 3
log_k -5.5988
-delta_H 0 # Not possible to calculate enthalpy of reaction FeCO3
# Enthalpy of formation: -0 kcal/mol
HCO3- + Fe+3 = FeCO3+ + H+
-llnl_gamma 4
log_k -0.6088
-delta_H -50.208 kJ/mol # Calculated enthalpy of reaction FeCO3+
# Enthalpy of formation: -188.748 kcal/mol
-analytic 1.71e+2 8.0413e-2 -4.3217e+2 -7.8449e+1 -6.7948e+0
# -Range: 0-300
Fe+2 + Cl- = FeCl+
-llnl_gamma 4
log_k -0.1605
-delta_H 3.02503 kJ/mol # Calculated enthalpy of reaction FeCl+
# Enthalpy of formation: -61.26 kcal/mol
-analytic 8.2435e+1 3.7755e-2 -1.4765e+3 -3.5918e+1 -2.3064e+1
# -Range: 0-300
Fe+3 + Cl- = FeCl+2
-llnl_gamma 4.5
log_k -0.8108
-delta_H 36.6421 kJ/mol # Calculated enthalpy of reaction FeCl+2
# Enthalpy of formation: -180.018 kJ/mol
-analytic 1.6186e+2 5.9436e-2 -5.1913e+3 -6.5852e+1 -8.1053e+1
# -Range: 0-300
2 Cl- + Fe+2 = FeCl2
-llnl_gamma 3
log_k -2.4541
-delta_H 6.46846 kJ/mol # Calculated enthalpy of reaction FeCl2
# Enthalpy of formation: -100.37 kcal/mol
-analytic 1.9171e+2 7.807e-2 -4.1048e+3 -8.2292e+1 -6.4108e+1
# -Range: 0-300
2 Cl- + Fe+3 = FeCl2+
-llnl_gamma 4
log_k 2.13
-delta_H 0 # Not possible to calculate enthalpy of reaction FeCl2+
# Enthalpy of formation: -0 kcal/mol
4 Cl- + Fe+3 = FeCl4-
-llnl_gamma 4
log_k -0.79
-delta_H 0 # Not possible to calculate enthalpy of reaction FeCl4-
# Enthalpy of formation: -0 kcal/mol
4 Cl- + Fe+2 = FeCl4-2
-llnl_gamma 4
log_k -1.9
-delta_H 0 # Not possible to calculate enthalpy of reaction FeCl4-2
# Enthalpy of formation: -0 kcal/mol
-analytic -2.4108e+2 -6.0086e-3 9.7979e+3 8.4084e+1 1.5296e+2
# -Range: 0-300
Fe+2 + F- = FeF+
-llnl_gamma 4
log_k 1.36
-delta_H 0 # Not possible to calculate enthalpy of reaction FeF+
# Enthalpy of formation: -0 kcal/mol
Fe+3 + F- = FeF+2
-llnl_gamma 4.5
log_k 4.1365
-delta_H 14.327 kJ/mol # Calculated enthalpy of reaction FeF+2
# Enthalpy of formation: -370.601 kJ/mol
-analytic 1.7546e+2 6.3754e-2 -4.3166e+3 -7.1052e+1 -6.7408e+1
# -Range: 0-300
2 F- + Fe+3 = FeF2+
-llnl_gamma 4
log_k 8.3498
-delta_H 23.9776 kJ/mol # Calculated enthalpy of reaction FeF2+
# Enthalpy of formation: -696.298 kJ/mol
-analytic 2.908e+2 1.0393e-1 -7.2118e+3 -1.1688e+2 -1.1262e+2
# -Range: 0-300
HPO4-2 + H+ + Fe+2 = FeH2PO4+
-llnl_gamma 4
log_k 2.7
-delta_H 0 # Not possible to calculate enthalpy of reaction FeH2PO4+
# Enthalpy of formation: -0 kcal/mol
HPO4-2 + H+ + Fe+3 = FeH2PO4+2
-llnl_gamma 4.5
log_k 4.17
-delta_H 0 # Not possible to calculate enthalpy of reaction FeH2PO4+2
# Enthalpy of formation: -0 kcal/mol
HCO3- + Fe+2 = FeHCO3+
-llnl_gamma 4
log_k 2.72
-delta_H 0 # Not possible to calculate enthalpy of reaction FeHCO3+
# Enthalpy of formation: -0 kcal/mol
HPO4-2 + Fe+2 = FeHPO4
-llnl_gamma 3
log_k 3.6
-delta_H 0 # Not possible to calculate enthalpy of reaction FeHPO4
# Enthalpy of formation: -0 kcal/mol
HPO4-2 + Fe+3 = FeHPO4+
-llnl_gamma 4
log_k 10.18
-delta_H 0 # Not possible to calculate enthalpy of reaction FeHPO4+
# Enthalpy of formation: -0 kcal/mol
NO2- + Fe+3 = FeNO2+2
-llnl_gamma 4.5
log_k 3.15
-delta_H 0 # Not possible to calculate enthalpy of reaction FeNO2+2
# Enthalpy of formation: -0 kcal/mol
NO3- + Fe+3 = FeNO3+2
-llnl_gamma 4.5
log_k 1
-delta_H 0 # Not possible to calculate enthalpy of reaction FeNO3+2
# Enthalpy of formation: -0 kcal/mol
H2O + Fe+2 = FeOH+ + H+
-llnl_gamma 4
log_k -9.5
-delta_H 0 # Not possible to calculate enthalpy of reaction FeOH+
# Enthalpy of formation: -0 kcal/mol
H2O + Fe+3 = FeOH+2 + H+
-llnl_gamma 4.5
log_k -2.19
-delta_H 0 # Not possible to calculate enthalpy of reaction FeOH+2
# Enthalpy of formation: -0 kcal/mol
HPO4-2 + Fe+2 = FePO4- + H+
-llnl_gamma 4
log_k -4.3918
-delta_H 0 # Not possible to calculate enthalpy of reaction FePO4-
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Fe+2 = FeSO4
-llnl_gamma 3
log_k 2.2
-delta_H 0 # Not possible to calculate enthalpy of reaction FeSO4
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Fe+3 = FeSO4+
-llnl_gamma 4
log_k 1.9276
-delta_H 27.181 kJ/mol # Calculated enthalpy of reaction FeSO4+
# Enthalpy of formation: -932.001 kJ/mol
-analytic 2.5178e+2 1.008e-1 -6.0977e+3 -1.0483e+2 -9.5223e+1
# -Range: 0-300
2 HAcetate + Gd+3 = Gd(Acetate)2+ + 2 H+
-llnl_gamma 4
log_k -4.9625
-delta_H -22.3426 kJ/mol # Calculated enthalpy of reaction Gd(Acetate)2+
# Enthalpy of formation: -401.74 kcal/mol
-analytic -4.3124e+1 1.2995e-4 -4.3494e+2 1.3677e+1 5.1224e+5
# -Range: 0-300
3 HAcetate + Gd+3 = Gd(Acetate)3 + 3 H+
-llnl_gamma 3
log_k -8.3489
-delta_H -37.9907 kJ/mol # Calculated enthalpy of reaction Gd(Acetate)3
# Enthalpy of formation: -521.58 kcal/mol
-analytic -8.8296e+1 -5.0939e-3 1.2268e+3 2.8513e+1 6.0745e+5
# -Range: 0-300
2 HCO3- + Gd+3 = Gd(CO3)2- + 2 H+
-llnl_gamma 4
log_k -7.5576
-delta_H 0 # Not possible to calculate enthalpy of reaction Gd(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Gd+3 = Gd(HPO4)2-
-llnl_gamma 4
log_k 9.6
-delta_H 0 # Not possible to calculate enthalpy of reaction Gd(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
# Redundant with GdO2-
#4.0000 H2O + 1.0000 Gd+++ = Gd(OH)4- +4.0000 H+
# -llnl_gamma 4.0
# log_k -33.8803
# -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)4-
## Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Gd+3 = Gd(PO4)2-3 + 2 H+
-llnl_gamma 4
log_k -3.9437
-delta_H 0 # Not possible to calculate enthalpy of reaction Gd(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Gd+3 = Gd(SO4)2-
-llnl_gamma 4
log_k 5.1
-delta_H 0 # Not possible to calculate enthalpy of reaction Gd(SO4)2-
# Enthalpy of formation: -0 kcal/mol
Gd+3 + HAcetate = GdAcetate+2 + H+
-llnl_gamma 4.5
log_k -2.1037
-delta_H -11.7152 kJ/mol # Calculated enthalpy of reaction GdAcetate+2
# Enthalpy of formation: -283.1 kcal/mol
-analytic -1.4118e+1 1.666e-3 -7.5206e+2 4.2614e+0 3.1187e+5
# -Range: 0-300
HCO3- + Gd+3 = GdCO3+ + H+
-llnl_gamma 4
log_k -2.479
-delta_H 89.9476 kJ/mol # Calculated enthalpy of reaction GdCO3+
# Enthalpy of formation: -307.6 kcal/mol
-analytic 2.3628e+2 5.41e-2 -7.0746e+3 -9.3413e+1 -1.1046e+2
# -Range: 0-300
Gd+3 + Cl- = GdCl+2
-llnl_gamma 4.5
log_k 0.3086
-delta_H 14.7821 kJ/mol # Calculated enthalpy of reaction GdCl+2
# Enthalpy of formation: -200.6 kcal/mol
-analytic 8.075e+1 3.8524e-2 -1.8591e+3 -3.4621e+1 -2.9034e+1
# -Range: 0-300
2 Cl- + Gd+3 = GdCl2+
-llnl_gamma 4
log_k -0.0425
-delta_H 21.1961 kJ/mol # Calculated enthalpy of reaction GdCl2+
# Enthalpy of formation: -239 kcal/mol
-analytic 2.1754e+2 8.0996e-2 -5.6121e+3 -9.0067e+1 -8.7635e+1
# -Range: 0-300
3 Cl- + Gd+3 = GdCl3
-llnl_gamma 3
log_k -0.4669
-delta_H 15.895 kJ/mol # Calculated enthalpy of reaction GdCl3
# Enthalpy of formation: -280.2 kcal/mol
-analytic 4.1398e+2 1.2829e-1 -1.123e+4 -1.677e+2 -1.7535e+2
# -Range: 0-300
4 Cl- + Gd+3 = GdCl4-
-llnl_gamma 4
log_k -0.8913
-delta_H -1.53971 kJ/mol # Calculated enthalpy of reaction GdCl4-
# Enthalpy of formation: -324.3 kcal/mol
-analytic 4.7684e+2 1.3157e-1 -1.3068e+4 -1.9118e+2 -2.0405e+2
# -Range: 0-300
Gd+3 + F- = GdF+2
-llnl_gamma 4.5
log_k 4.5886
-delta_H 21.1292 kJ/mol # Calculated enthalpy of reaction GdF+2
# Enthalpy of formation: -239.3 kcal/mol
-analytic 1.006e+2 4.2181e-2 -2.6024e+3 -4.0347e+1 -4.0637e+1
# -Range: 0-300
2 F- + Gd+3 = GdF2+
-llnl_gamma 4
log_k 7.9311
-delta_H 11.2968 kJ/mol # Calculated enthalpy of reaction GdF2+
# Enthalpy of formation: -321.8 kcal/mol
-analytic 2.3793e+2 8.4732e-2 -5.495e+3 -9.5689e+1 -8.5815e+1
# -Range: 0-300
3 F- + Gd+3 = GdF3
-llnl_gamma 3
log_k 10.4673
-delta_H -11.506 kJ/mol # Calculated enthalpy of reaction GdF3
# Enthalpy of formation: -407.4 kcal/mol
-analytic 4.4257e+2 1.35e-1 -1.0377e+4 -1.768e+2 -1.6205e+2
# -Range: 0-300
4 F- + Gd+3 = GdF4-
-llnl_gamma 4
log_k 12.4904
-delta_H -52.3 kJ/mol # Calculated enthalpy of reaction GdF4-
# Enthalpy of formation: -497.3 kcal/mol
-analytic 4.9026e+2 1.3534e-1 -1.0586e+4 -1.9501e+2 -1.6533e+2
# -Range: 0-300
HPO4-2 + H+ + Gd+3 = GdH2PO4+2
-llnl_gamma 4.5
log_k 9.4484
-delta_H -14.9996 kJ/mol # Calculated enthalpy of reaction GdH2PO4+2
# Enthalpy of formation: -476.6 kcal/mol
-analytic 1.1058e+2 6.4124e-2 1.3451e+2 -4.8758e+1 2.066e+0
# -Range: 0-300
HCO3- + Gd+3 = GdHCO3+2
-llnl_gamma 4.5
log_k 1.6991
-delta_H 10.0332 kJ/mol # Calculated enthalpy of reaction GdHCO3+2
# Enthalpy of formation: -326.7 kcal/mol
-analytic 4.1973e+1 3.2521e-2 -2.3475e+2 -1.9864e+1 -3.6757e+0
# -Range: 0-300
HPO4-2 + Gd+3 = GdHPO4+
-llnl_gamma 4
log_k -185.109
-delta_H 0 # Not possible to calculate enthalpy of reaction GdHPO4+
# Enthalpy of formation: -0 kcal/mol
NO3- + Gd+3 = GdNO3+2
-llnl_gamma 4.5
log_k 0.4347
-delta_H -25.8195 kJ/mol # Calculated enthalpy of reaction GdNO3+2
# Enthalpy of formation: -219.8 kcal/mol
-analytic 2.0253e+1 2.6372e-2 1.8785e+3 -1.3723e+1 2.9306e+1
# -Range: 0-300
H2O + Gd+3 = GdO+ + 2 H+
-llnl_gamma 4
log_k -16.337
-delta_H 113.039 kJ/mol # Calculated enthalpy of reaction GdO+
# Enthalpy of formation: -205.5 kcal/mol
-analytic 2.0599e+2 3.2521e-2 -1.4547e+4 -7.4048e+1 -2.2705e+2
# -Range: 0-300
2 H2O + Gd+3 = GdO2- + 4 H+
-llnl_gamma 4
log_k -34.4333
-delta_H 283.817 kJ/mol # Calculated enthalpy of reaction GdO2-
# Enthalpy of formation: -233 kcal/mol
-analytic 1.2067e+2 6.6276e-3 -1.5531e+4 -4.0448e+1 -4.3587e+5
# -Range: 0-300
2 H2O + Gd+3 = GdO2H + 3 H+
-llnl_gamma 3
log_k -25.2707
-delta_H 224.405 kJ/mol # Calculated enthalpy of reaction GdO2H
# Enthalpy of formation: -247.2 kcal/mol
-analytic 3.6324e+2 4.7938e-2 -2.4275e+4 -1.2988e+2 -3.7889e+2
# -Range: 0-300
H2O + Gd+3 = GdOH+2 + H+
-llnl_gamma 4.5
log_k -7.9075
-delta_H 79.9855 kJ/mol # Calculated enthalpy of reaction GdOH+2
# Enthalpy of formation: -213.4 kcal/mol
-analytic 8.3265e+1 1.4153e-2 -6.8229e+3 -2.9301e+1 -1.0649e+2
# -Range: 0-300
HPO4-2 + Gd+3 = GdPO4 + H+
-llnl_gamma 3
log_k -0.1218
-delta_H 0 # Not possible to calculate enthalpy of reaction GdPO4
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Gd+3 = GdSO4+
-llnl_gamma 4
log_k -3.687
-delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction GdSO4+
# Enthalpy of formation: -376.8 kcal/mol
-analytic 3.0783e+2 8.6798e-2 -1.1246e+4 -1.2109e+2 -1.7557e+2
# -Range: 0-300
O_phthalate-2 + H+ = H(O_phthalate)-
-llnl_gamma 4
log_k 5.408
-delta_H 0 # Not possible to calculate enthalpy of reaction H(O_phthalate)-
# Enthalpy of formation: -0 kcal/mol
2 H+ + CrO4-2 = H2CrO4
-llnl_gamma 3
log_k 5.175
-delta_H 42.8274 kJ/mol # Calculated enthalpy of reaction H2CrO4
# Enthalpy of formation: -200.364 kcal/mol
-analytic 4.2958e+2 1.4939e-1 -1.1474e+4 -1.7396e+2 -1.9499e+2
# -Range: 0-200
2 H+ + 2 F- = H2F2
-llnl_gamma 3
log_k 6.768
-delta_H 0 # Not possible to calculate enthalpy of reaction H2F2
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + 2 H+ = H2P2O7-2 + H2O
-llnl_gamma 4
log_k 12.0709
-delta_H 19.7192 kJ/mol # Calculated enthalpy of reaction H2P2O7-2
# Enthalpy of formation: -544.6 kcal/mol
-analytic 1.4825e+2 6.7021e-2 -2.8329e+3 -5.9251e+1 -4.4248e+1
# -Range: 0-300
3 H+ + HPO4-2 + F- = H2PO3F + H2O
-llnl_gamma 3
log_k 12.1047
-delta_H 0 # Not possible to calculate enthalpy of reaction H2PO3F
# Enthalpy of formation: -0 kcal/mol
HPO4-2 + H+ = H2PO4-
-llnl_gamma 4
log_k 7.2054
-delta_H -4.20492 kJ/mol # Calculated enthalpy of reaction H2PO4-
# Enthalpy of formation: -309.82 kcal/mol
-analytic 8.2149e+1 3.4077e-2 -1.0431e+3 -3.297e+1 -1.6301e+1
# -Range: 0-300
#1.0000 HS- + 1.0000 H+ = H2S
# -llnl_gamma 3.0
# log_k +6.99
# -analytic 1.2833e+002 5.1641e-002 -1.1681e+003 -5.3665e+001 -1.8266e+001
# -Range: 0-300
# these (above) H2S values are from
# Suleimenov & Seward, Geochim. Cosmochim. Acta, v. 61, p. 5187-5198.
# values below are the original Thermo.com.v8.r6.230 data from somewhere
HS- + H+ = H2S
-llnl_gamma 3
log_k 6.9877
-delta_H -21.5518 kJ/mol # Calculated enthalpy of reaction H2S
# Enthalpy of formation: -9.001 kcal/mol
-analytic 3.9283e+1 2.8727e-2 1.3477e+3 -1.8331e+1 2.1018e+1
# -Range: 0-300
2 H+ + SO3-2 = H2SO3
-llnl_gamma 3
log_k 9.2132
-delta_H 0 # Not possible to calculate enthalpy of reaction H2SO3
# Enthalpy of formation: -0 kcal/mol
2 H+ + SO4-2 = H2SO4
-llnl_gamma 3
log_k -1.0209
-delta_H 0 # Not possible to calculate enthalpy of reaction H2SO4
# Enthalpy of formation: -0 kcal/mol
2 H+ + Se-2 = H2Se
-llnl_gamma 3
log_k 18.7606
-delta_H 0 # Not possible to calculate enthalpy of reaction H2Se
# Enthalpy of formation: 19.412 kJ/mol
-analytic 3.6902e+2 1.2855e-1 -5.59e+3 -1.4946e+2 -9.5054e+1
# -Range: 0-200
2 H+ + SeO3-2 = H2SeO3
-llnl_gamma 3
log_k 9.8589
-delta_H 1.7238 kJ/mol # Calculated enthalpy of reaction H2SeO3
# Enthalpy of formation: -507.469 kJ/mol
-analytic 2.785e+2 1.046e-1 -5.4934e+3 -1.1371e+2 -9.3383e+1
# -Range: 0-200
2 H2O + SiO2 = H2SiO4-2 + 2 H+
-llnl_gamma 4
log_k -22.96
-delta_H 0 # Not possible to calculate enthalpy of reaction H2SiO4-2
# Enthalpy of formation: -0 kcal/mol
2 H+ + TcO4-2 = H2TcO4
-llnl_gamma 3
log_k 9.0049
-delta_H 0 # Not possible to calculate enthalpy of reaction H2TcO4
# Enthalpy of formation: -0 kcal/mol
2 H2O + VO2+ = H2VO4- + 2 H+
-llnl_gamma 4
log_k -7.0922
-delta_H 0 # Not possible to calculate enthalpy of reaction H2VO4-
# Enthalpy of formation: -0 kcal/mol
-analytic 1.7105e+1 -1.7503e-2 -4.2671e+3 -1.891e+0 -6.6589e+1
# -Range: 0-300
H2AsO4- + H+ = H3AsO4
-llnl_gamma 3
log_k 2.2492
-delta_H 7.17876 kJ/mol # Calculated enthalpy of reaction H3AsO4
# Enthalpy of formation: -902.381 kJ/mol
-analytic 1.4043e+2 4.6288e-2 -3.5868e+3 -5.656e+1 -6.0957e+1
# -Range: 0-200
3 H+ + 2 HPO4-2 = H3P2O7- + H2O
-llnl_gamma 4
log_k 14.4165
-delta_H 21.8112 kJ/mol # Calculated enthalpy of reaction H3P2O7-
# Enthalpy of formation: -544.1 kcal/mol
-analytic 2.3157e+2 1.0161e-1 -4.3723e+3 -9.405e+1 -6.8295e+1
# -Range: 0-300
2 H+ + HPO4-2 = H3PO4
-llnl_gamma 3
log_k 9.3751
-delta_H 3.74468 kJ/mol # Calculated enthalpy of reaction H3PO4
# Enthalpy of formation: -307.92 kcal/mol
-analytic 1.838e+2 6.732e-2 -3.7792e+3 -7.3463e+1 -5.9025e+1
# -Range: 0-300
8 H2O + 4 SiO2 = H4(H2SiO4)4-4 + 4 H+
-llnl_gamma 4
log_k -35.94
-delta_H 0 # Not possible to calculate enthalpy of reaction H4(H2SiO4)4-4
# Enthalpy of formation: -0 kcal/mol
4 H+ + 2 HPO4-2 = H4P2O7 + H2O
-llnl_gamma 3
log_k 15.9263
-delta_H 29.7226 kJ/mol # Calculated enthalpy of reaction H4P2O7
# Enthalpy of formation: -2268.6 kJ/mol
-analytic 6.9026e+2 2.4309e-1 -1.6165e+4 -2.7989e+2 -2.7475e+2
# -Range: 0-200
8 H2O + 4 SiO2 = H6(H2SiO4)4-2 + 2 H+
-llnl_gamma 4
log_k -13.64
-delta_H 0 # Not possible to calculate enthalpy of reaction H6(H2SiO4)4-2
# Enthalpy of formation: -0 kcal/mol
2 H2O + Al+3 = HAlO2 + 3 H+
-llnl_gamma 3
log_k -16.4329
-delta_H 144.704 kJ/mol # Calculated enthalpy of reaction HAlO2
# Enthalpy of formation: -230.73 kcal/mol
-analytic 4.2012e+1 1.998e-2 -7.7847e+3 -1.547e+1 -1.2149e+2
# -Range: 0-300
H2AsO3- + H+ = HAsO2 + H2O
-llnl_gamma 3
log_k 9.2792
-delta_H 0 # Not possible to calculate enthalpy of reaction HAsO2
# Enthalpy of formation: -0 kcal/mol
-analytic 3.129e+2 9.3052e-2 -6.5052e+3 -1.251e+2 -1.1058e+2
# -Range: 0-200
H2AsO4- + H+ + F- = HAsO3F- + H2O
-llnl_gamma 4
log_k 46.1158
-delta_H 0 # Not possible to calculate enthalpy of reaction HAsO3F-
# Enthalpy of formation: -0 kcal/mol
H2AsO4- = HAsO4-2 + H+
-llnl_gamma 4
log_k -6.7583
-delta_H 3.22168 kJ/mol # Calculated enthalpy of reaction HAsO4-2
# Enthalpy of formation: -216.62 kcal/mol
-analytic -8.4546e+1 -3.463e-2 1.1829e+3 3.3997e+1 1.8483e+1
# -Range: 0-300
3 H+ + 2 HS- + H2AsO3- = HAsS2 + 3 H2O
-llnl_gamma 3
log_k 30.4803
-delta_H 0 # Not possible to calculate enthalpy of reaction HAsS2
# Enthalpy of formation: -0 kcal/mol
H+ + BrO- = HBrO
-llnl_gamma 3
log_k 8.3889
-delta_H 0 # Not possible to calculate enthalpy of reaction HBrO
# Enthalpy of formation: -0 kcal/mol
H+ + Cyanide- = HCyanide
-llnl_gamma 3
log_k 9.2359
-delta_H -43.5136 kJ/mol # Calculated enthalpy of reaction HCyanide
# Enthalpy of formation: 25.6 kcal/mol
-analytic 1.0536e+1 2.3105e-2 3.3038e+3 -7.7786e+0 5.155e+1
# -Range: 0-300
H+ + Cl- = HCl
-llnl_gamma 3
log_k -0.67
-delta_H 0 # Not possible to calculate enthalpy of reaction HCl
# Enthalpy of formation: -0 kcal/mol
-analytic 4.1893e+2 1.1103e-1 -1.1784e+4 -1.6697e+2 -1.84e+2
# -Range: 0-300
H+ + ClO- = HClO
-llnl_gamma 3
log_k 7.5692
-delta_H 0 # Not possible to calculate enthalpy of reaction HClO
# Enthalpy of formation: -0 kcal/mol
H+ + ClO2- = HClO2
-llnl_gamma 3
log_k 3.1698
-delta_H 0 # Not possible to calculate enthalpy of reaction HClO2
# Enthalpy of formation: -0 kcal/mol
2 H2O + Co+2 = HCoO2- + 3 H+
-llnl_gamma 4
log_k -21.243
-delta_H 0 # Not possible to calculate enthalpy of reaction HCoO2-
# Enthalpy of formation: -0 kcal/mol
H+ + CrO4-2 = HCrO4-
-llnl_gamma 4
log_k 6.4944
-delta_H 2.9288 kJ/mol # Calculated enthalpy of reaction HCrO4-
# Enthalpy of formation: -209.9 kcal/mol
-analytic 4.4944e+1 3.274e-2 1.84e+2 -1.9722e+1 2.8578e+0
# -Range: 0-300
H+ + F- = HF
-llnl_gamma 3
log_k 3.1681
-delta_H 13.87 kJ/mol # Calculated enthalpy of reaction HF
# Enthalpy of formation: -76.835 kcal/mol
-analytic 8.6626e+1 3.2861e-2 -2.3026e+3 -3.4559e+1 -3.5956e+1
# -Range: 0-300
2 F- + H+ = HF2-
-llnl_gamma 4
log_k 2.5509
-delta_H 20.7526 kJ/mol # Calculated enthalpy of reaction HF2-
# Enthalpy of formation: -155.34 kcal/mol
-analytic 1.4359e+2 4.0866e-2 -4.6776e+3 -5.5574e+1 -7.3032e+1
# -Range: 0-300
IO3- + H+ = HIO3
-llnl_gamma 3
log_k 0.4915
-delta_H 0 # Not possible to calculate enthalpy of reaction HIO3
# Enthalpy of formation: -0 kcal/mol
N3- + H+ = HN3
-llnl_gamma 3
log_k 4.7001
-delta_H -15 kJ/mol # Calculated enthalpy of reaction HN3
# Enthalpy of formation: 260.14 kJ/mol
-analytic 6.9976e+1 2.4359e-2 -7.1947e+2 -2.8339e+1 -1.2242e+1
# -Range: 0-200
NO2- + H+ = HNO2
-llnl_gamma 3
log_k 3.2206
-delta_H -14.782 kJ/mol # Calculated enthalpy of reaction HNO2
# Enthalpy of formation: -119.382 kJ/mol
-analytic 1.9653e+0 -1.1603e-4 0e+0 0e+0 1.1569e+5
# -Range: 0-200
NO3- + H+ = HNO3
-llnl_gamma 3
log_k -1.3025
-delta_H 16.8155 kJ/mol # Calculated enthalpy of reaction HNO3
# Enthalpy of formation: -45.41 kcal/mol
-analytic 9.9744e+1 3.4866e-2 -3.0975e+3 -4.083e+1 -4.8363e+1
# -Range: 0-300
2 HPO4-2 + H+ = HP2O7-3 + H2O
-llnl_gamma 4
log_k 5.4498
-delta_H 23.3326 kJ/mol # Calculated enthalpy of reaction HP2O7-3
# Enthalpy of formation: -2274.99 kJ/mol
-analytic 3.9159e+2 1.5438e-1 -8.7071e+3 -1.6283e+2 -1.3598e+2
# -Range: 0-300
2 H+ + HPO4-2 + F- = HPO3F- + H2O
-llnl_gamma 4
log_k 11.2988
-delta_H 0 # Not possible to calculate enthalpy of reaction HPO3F-
# Enthalpy of formation: -0 kcal/mol
RuO4 + H2O = HRuO5- + H+
-llnl_gamma 4
log_k -11.5244
-delta_H 0 # Not possible to calculate enthalpy of reaction HRuO5-
# Enthalpy of formation: -0 kcal/mol
H+ + S2O3-2 = HS2O3-
-llnl_gamma 4
log_k 1.0139
-delta_H 0 # Not possible to calculate enthalpy of reaction HS2O3-
# Enthalpy of formation: -0 kcal/mol
SO3-2 + H+ = HSO3-
-llnl_gamma 4
log_k 7.2054
-delta_H 9.33032 kJ/mol # Calculated enthalpy of reaction HSO3-
# Enthalpy of formation: -149.67 kcal/mol
-analytic 5.5899e+1 3.3623e-2 -5.012e+2 -2.304e+1 -7.8373e+0
# -Range: 0-300
SO4-2 + H+ = HSO4-
-llnl_gamma 4
log_k 1.9791
-delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction HSO4-
# Enthalpy of formation: -212.5 kcal/mol
-analytic 4.9619e+1 3.0368e-2 -1.1558e+3 -2.1335e+1 -1.8051e+1
# -Range: 0-300
4 HS- + 3 H+ + 2 Sb(OH)3 = HSb2S4- + 6 H2O
-llnl_gamma 4
log_k 50.61
-delta_H 0 # Not possible to calculate enthalpy of reaction HSb2S4-
# Enthalpy of formation: -0 kcal/mol
-analytic 1.754e+2 8.2177e-2 1.0786e+4 -7.4874e+1 1.6826e+2
# -Range: 0-300
SeO3-2 + H+ = HSeO3-
-llnl_gamma 4
log_k 7.2861
-delta_H -5.35552 kJ/mol # Calculated enthalpy of reaction HSeO3-
# Enthalpy of formation: -122.98 kcal/mol
-analytic 5.0427e+1 3.225e-2 2.9603e+2 -2.1711e+1 4.6044e+0
# -Range: 0-300
SeO4-2 + H+ = HSeO4-
-llnl_gamma 4
log_k 1.9058
-delta_H 17.5728 kJ/mol # Calculated enthalpy of reaction HSeO4-
# Enthalpy of formation: -139 kcal/mol
-analytic 1.416e+2 3.9801e-2 -4.5392e+3 -5.5088e+1 -7.0872e+1
# -Range: 0-300
SiO2 + H2O = HSiO3- + H+
-llnl_gamma 4
log_k -9.9525
-delta_H 25.991 kJ/mol # Calculated enthalpy of reaction HSiO3-
# Enthalpy of formation: -271.88 kcal/mol
-analytic 6.4211e+1 -2.4872e-2 -1.2707e+4 -1.4681e+1 1.0853e+6
# -Range: 0-300
TcO4-2 + H+ = HTcO4-
-llnl_gamma 4
log_k 8.7071
-delta_H 0 # Not possible to calculate enthalpy of reaction HTcO4-
# Enthalpy of formation: -0 kcal/mol
2 H2O + VO2+ = HVO4-2 + 3 H+
-llnl_gamma 4
log_k -15.1553
-delta_H 0 # Not possible to calculate enthalpy of reaction HVO4-2
# Enthalpy of formation: -0 kcal/mol
-analytic -7.066e+1 -5.2457e-2 -3.538e+3 3.3534e+1 -5.5186e+1
# -Range: 0-300
5 H2O + Hf+4 = Hf(OH)5- + 5 H+
-llnl_gamma 4
log_k -17.1754
-delta_H 0 # Not possible to calculate enthalpy of reaction Hf(OH)5-
# Enthalpy of formation: -0 kcal/mol
Hf+4 + H2O = HfOH+3 + H+
-llnl_gamma 5
log_k -0.2951
-delta_H 0 # Not possible to calculate enthalpy of reaction HfOH+3
# Enthalpy of formation: -0 kcal/mol
2 HAcetate + Hg+2 = Hg(Acetate)2 + 2 H+
-llnl_gamma 3
log_k -2.6242
-delta_H -30.334 kJ/mol # Calculated enthalpy of reaction Hg(Acetate)2
# Enthalpy of formation: -198.78 kcal/mol
-analytic -2.1959e+1 2.7774e-3 -3.25e+3 7.7351e+0 9.1508e+5
# -Range: 0-300
3 HAcetate + Hg+2 = Hg(Acetate)3- + 3 H+
-llnl_gamma 4
log_k -4.3247
-delta_H -59.7057 kJ/mol # Calculated enthalpy of reaction Hg(Acetate)3-
# Enthalpy of formation: -321.9 kcal/mol
-analytic 2.1656e+1 -2.0392e-3 -1.2866e+4 -3.2932e+0 2.3073e+6
# -Range: 0-300
Hg+2 + HAcetate = HgAcetate+ + H+
-llnl_gamma 4
log_k -0.4691
-delta_H -16.5686 kJ/mol # Calculated enthalpy of reaction HgAcetate+
# Enthalpy of formation: -79.39 kcal/mol
-analytic -1.6355e+1 1.9446e-3 -2.6676e+2 5.1978e+0 2.9805e+5
# -Range: 0-300
2 HAcetate + Ho+3 = Ho(Acetate)2+ + 2 H+
-llnl_gamma 4
log_k -4.9844
-delta_H -28.1583 kJ/mol # Calculated enthalpy of reaction Ho(Acetate)2+
# Enthalpy of formation: -407.93 kcal/mol
-analytic -2.7925e+1 2.5599e-3 -1.4779e+3 8.0785e+0 6.3736e+5
# -Range: 0-300
3 HAcetate + Ho+3 = Ho(Acetate)3 + 3 H+
-llnl_gamma 3
log_k -8.3783
-delta_H -47.5721 kJ/mol # Calculated enthalpy of reaction Ho(Acetate)3
# Enthalpy of formation: -528.67 kcal/mol
-analytic -6.5547e+1 -1.1963e-4 -1.8887e+2 1.9796e+1 7.9041e+5
# -Range: 0-300
2 HCO3- + Ho+3 = Ho(CO3)2- + 2 H+
-llnl_gamma 4
log_k -7.3576
-delta_H 0 # Not possible to calculate enthalpy of reaction Ho(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Ho+3 = Ho(HPO4)2-
-llnl_gamma 4
log_k 9.9
-delta_H 0 # Not possible to calculate enthalpy of reaction Ho(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Ho+3 = Ho(PO4)2-3 + 2 H+
-llnl_gamma 4
log_k -3.3437
-delta_H 0 # Not possible to calculate enthalpy of reaction Ho(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Ho+3 = Ho(SO4)2-
-llnl_gamma 4
log_k 4.9
-delta_H 0 # Not possible to calculate enthalpy of reaction Ho(SO4)2-
# Enthalpy of formation: -0 kcal/mol
Ho+3 + HAcetate = HoAcetate+2 + H+
-llnl_gamma 4.5
log_k -2.1184
-delta_H -14.3093 kJ/mol # Calculated enthalpy of reaction HoAcetate+2
# Enthalpy of formation: -288.52 kcal/mol
-analytic -1.8265e+1 1.0753e-3 -6.0695e+2 5.7211e+0 3.3055e+5
# -Range: 0-300
Ho+3 + HCO3- = HoCO3+ + H+
-llnl_gamma 4
log_k -2.2591
-delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction HoCO3+
# Enthalpy of formation: -312.6 kcal/mol
-analytic 2.3773e+2 5.4448e-2 -6.9916e+3 -9.4063e+1 -1.0917e+2
# -Range: 0-300
Ho+3 + Cl- = HoCl+2
-llnl_gamma 4.5
log_k 0.2353
-delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction HoCl+2
# Enthalpy of formation: -205.6 kcal/mol
-analytic 7.3746e+1 3.7733e-2 -1.5627e+3 -3.2126e+1 -2.4407e+1
# -Range: 0-300
2 Cl- + Ho+3 = HoCl2+
-llnl_gamma 4
log_k -0.0425
-delta_H 17.8489 kJ/mol # Calculated enthalpy of reaction HoCl2+
# Enthalpy of formation: -244.6 kcal/mol
-analytic 1.9928e+2 7.9025e-2 -4.7775e+3 -8.3582e+1 -7.4607e+1
# -Range: 0-300
3 Cl- + Ho+3 = HoCl3
-llnl_gamma 3
log_k -0.4669
-delta_H 10.0374 kJ/mol # Calculated enthalpy of reaction HoCl3
# Enthalpy of formation: -286.4 kcal/mol
-analytic 3.8608e+2 1.2638e-1 -9.8339e+3 -1.5809e+2 -1.5356e+2
# -Range: 0-300
4 Cl- + Ho+3 = HoCl4-
-llnl_gamma 4
log_k -0.8913
-delta_H -12.4181 kJ/mol # Calculated enthalpy of reaction HoCl4-
# Enthalpy of formation: -331.7 kcal/mol
-analytic 4.2179e+2 1.2576e-1 -1.0495e+4 -1.7172e+2 -1.6388e+2
# -Range: 0-300
Ho+3 + F- = HoF+2
-llnl_gamma 4.5
log_k 4.7352
-delta_H 22.3844 kJ/mol # Calculated enthalpy of reaction HoF+2
# Enthalpy of formation: -243.8 kcal/mol
-analytic 9.5294e+1 4.1702e-2 -2.446e+3 -3.8296e+1 -3.8195e+1
# -Range: 0-300
2 F- + Ho+3 = HoF2+
-llnl_gamma 4
log_k 8.2976
-delta_H 11.7152 kJ/mol # Calculated enthalpy of reaction HoF2+
# Enthalpy of formation: -326.5 kcal/mol
-analytic 2.233e+2 8.3497e-2 -4.9105e+3 -9.0272e+1 -7.669e+1
# -Range: 0-300
3 F- + Ho+3 = HoF3
-llnl_gamma 3
log_k 10.9071
-delta_H -12.7612 kJ/mol # Calculated enthalpy of reaction HoF3
# Enthalpy of formation: -412.5 kcal/mol
-analytic 4.1587e+2 1.3308e-1 -9.2193e+3 -1.6717e+2 -1.4398e+2
# -Range: 0-300
4 F- + Ho+3 = HoF4-
-llnl_gamma 4
log_k 13.0035
-delta_H -57.7392 kJ/mol # Calculated enthalpy of reaction HoF4-
# Enthalpy of formation: -503.4 kcal/mol
-analytic 4.4575e+2 1.3182e-1 -8.5485e+3 -1.7916e+2 -1.3352e+2
# -Range: 0-300
Ho+3 + HPO4-2 + H+ = HoH2PO4+2
-llnl_gamma 4.5
log_k 9.4484
-delta_H -17.9284 kJ/mol # Calculated enthalpy of reaction HoH2PO4+2
# Enthalpy of formation: -482.1 kcal/mol
-analytic 1.0273e+2 6.3161e-2 5.516e+2 -4.6035e+1 8.5766e+0
# -Range: 0-300
Ho+3 + HCO3- = HoHCO3+2
-llnl_gamma 4.5
log_k 1.6991
-delta_H 7.52283 kJ/mol # Calculated enthalpy of reaction HoHCO3+2
# Enthalpy of formation: -332.1 kcal/mol
-analytic 3.342e+1 3.1394e-2 1.9804e+2 -1.6859e+1 3.0801e+0
# -Range: 0-300
Ho+3 + HPO4-2 = HoHPO4+
-llnl_gamma 4
log_k 5.8
-delta_H 0 # Not possible to calculate enthalpy of reaction HoHPO4+
# Enthalpy of formation: -0 kcal/mol
NO3- + Ho+3 = HoNO3+2
-llnl_gamma 4.5
log_k 0.2148
-delta_H -30.0035 kJ/mol # Calculated enthalpy of reaction HoNO3+2
# Enthalpy of formation: -225.6 kcal/mol
-analytic 1.1069e+1 2.5142e-2 2.3943e+3 -1.065e+1 3.7358e+1
# -Range: 0-300
Ho+3 + H2O = HoO+ + 2 H+
-llnl_gamma 4
log_k -16.0438
-delta_H 108.437 kJ/mol # Calculated enthalpy of reaction HoO+
# Enthalpy of formation: -211.4 kcal/mol
-analytic 1.9152e+2 3.0627e-2 -1.3817e+4 -6.8846e+1 -2.1565e+2
# -Range: 0-300
2 H2O + Ho+3 = HoO2- + 4 H+
-llnl_gamma 4
log_k -33.4804
-delta_H 274.613 kJ/mol # Calculated enthalpy of reaction HoO2-
# Enthalpy of formation: -240 kcal/mol
-analytic 1.7987e+2 1.2731e-2 -2.0007e+4 -6.0642e+1 -3.1224e+2
# -Range: 0-300
2 H2O + Ho+3 = HoO2H + 3 H+
-llnl_gamma 3
log_k -24.5377
-delta_H 216.873 kJ/mol # Calculated enthalpy of reaction HoO2H
# Enthalpy of formation: -253.8 kcal/mol
-analytic 3.3877e+2 4.6282e-2 -2.2925e+4 -1.2133e+2 -3.5782e+2
# -Range: 0-300
Ho+3 + H2O = HoOH+2 + H+
-llnl_gamma 4.5
log_k -7.7609
-delta_H 76.6383 kJ/mol # Calculated enthalpy of reaction HoOH+2
# Enthalpy of formation: -219 kcal/mol
-analytic 7.1326e+1 1.2657e-2 -6.2461e+3 -2.5018e+1 -9.7485e+1
# -Range: 0-300
Ho+3 + HPO4-2 = HoPO4 + H+
-llnl_gamma 3
log_k 0.2782
-delta_H 0 # Not possible to calculate enthalpy of reaction HoPO4
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Ho+3 = HoSO4+
-llnl_gamma 4
log_k 3.5697
-delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction HoSO4+
# Enthalpy of formation: -381.5 kcal/mol
-analytic 3.0709e+2 8.6579e-2 -9.0693e+3 -1.2078e+2 -1.4161e+2
# -Range: 0-300
2 HAcetate + K+ = K(Acetate)2- + 2 H+
-llnl_gamma 4
log_k -10.2914
-delta_H -1.79912 kJ/mol # Calculated enthalpy of reaction K(Acetate)2-
# Enthalpy of formation: -292.9 kcal/mol
-analytic -2.3036e+2 -4.6369e-2 7.0305e+3 8.4997e+1 1.0977e+2
# -Range: 0-300
K+ + Br- = KBr
-llnl_gamma 3
log_k -1.7372
-delta_H 12.5102 kJ/mol # Calculated enthalpy of reaction KBr
# Enthalpy of formation: -86.32 kcal/mol
-analytic 1.132e+2 3.4227e-2 -3.6401e+3 -4.5633e+1 -5.6833e+1
# -Range: 0-300
K+ + HAcetate = KAcetate + H+
-llnl_gamma 3
log_k -5.0211
-delta_H 4.8116 kJ/mol # Calculated enthalpy of reaction KAcetate
# Enthalpy of formation: -175.22 kcal/mol
-analytic -2.6676e-1 -3.2675e-3 -1.7143e+3 -7.1907e-3 1.7726e+5
# -Range: 0-300
K+ + Cl- = KCl
-llnl_gamma 3
log_k -1.4946
-delta_H 14.1963 kJ/mol # Calculated enthalpy of reaction KCl
# Enthalpy of formation: -96.81 kcal/mol
-analytic 1.365e+2 3.8405e-2 -4.4014e+3 -5.4421e+1 -6.8721e+1
# -Range: 0-300
K+ + HPO4-2 = KHPO4-
-llnl_gamma 4
log_k 0.78
-delta_H 0 # Not possible to calculate enthalpy of reaction KHPO4-
# Enthalpy of formation: -0 kcal/mol
SO4-2 + K+ + H+ = KHSO4
-llnl_gamma 3
log_k 0.8136
-delta_H 29.8319 kJ/mol # Calculated enthalpy of reaction KHSO4
# Enthalpy of formation: -270.54 kcal/mol
-analytic 1.262e+2 5.7349e-2 -3.367e+3 -5.3003e+1 -5.2576e+1
# -Range: 0-300
K+ + I- = KI
-llnl_gamma 3
log_k -1.598
-delta_H 9.16296 kJ/mol # Calculated enthalpy of reaction KI
# Enthalpy of formation: -71.68 kcal/mol
-analytic 1.0816e+2 3.3683e-2 -3.2143e+3 -4.4054e+1 -5.0187e+1
# -Range: 0-300
K+ + H2O = KOH + H+
-llnl_gamma 3
log_k -14.46
-delta_H 0 # Not possible to calculate enthalpy of reaction KOH
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + K+ = KP2O7-3 + H2O
-llnl_gamma 4
log_k -1.4286
-delta_H 34.1393 kJ/mol # Calculated enthalpy of reaction KP2O7-3
# Enthalpy of formation: -2516.36 kJ/mol
-analytic 4.193e+2 1.4676e-1 -1.1169e+4 -1.7255e+2 -1.7441e+2
# -Range: 0-300
SO4-2 + K+ = KSO4-
-llnl_gamma 4
log_k 0.8796
-delta_H 2.88696 kJ/mol # Calculated enthalpy of reaction KSO4-
# Enthalpy of formation: -276.98 kcal/mol
-analytic 9.9073e+1 3.7817e-2 -2.1628e+3 -4.1297e+1 -3.3779e+1
# -Range: 0-300
2 HAcetate + La+3 = La(Acetate)2+ + 2 H+
-llnl_gamma 4
log_k -5.3949
-delta_H -23.1375 kJ/mol # Calculated enthalpy of reaction La(Acetate)2+
# Enthalpy of formation: -407.33 kcal/mol
-analytic -1.2805e+1 2.8482e-3 -2.2521e+3 2.9108e+0 6.1659e+5
# -Range: 0-300
3 HAcetate + La+3 = La(Acetate)3 + 3 H+
-llnl_gamma 3
log_k -8.5982
-delta_H -41.9237 kJ/mol # Calculated enthalpy of reaction La(Acetate)3
# Enthalpy of formation: -527.92 kcal/mol
-analytic -3.3456e+1 1.2371e-3 -1.5978e+3 8.6343e+0 7.5717e+5
# -Range: 0-300
2 HCO3- + La+3 = La(CO3)2- + 2 H+
-llnl_gamma 4
log_k -8.8576
-delta_H 0 # Not possible to calculate enthalpy of reaction La(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + La+3 = La(HPO4)2-
-llnl_gamma 4
log_k 8.4
-delta_H 0 # Not possible to calculate enthalpy of reaction La(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + La+3 = La(PO4)2-3 + 2 H+
-llnl_gamma 4
log_k -7.0437
-delta_H 0 # Not possible to calculate enthalpy of reaction La(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + La+3 = La(SO4)2-
-llnl_gamma 4
log_k 5.1
-delta_H 0 # Not possible to calculate enthalpy of reaction La(SO4)2-
# Enthalpy of formation: -0 kcal/mol
2 La+3 + 2 H2O = La2(OH)2+4 + 2 H+
-llnl_gamma 5.5
log_k -22.9902
-delta_H 0 # Not possible to calculate enthalpy of reaction La2(OH)2+4
# Enthalpy of formation: -0 kcal/mol
9 H2O + 5 La+3 = La5(OH)9+6 + 9 H+
-llnl_gamma 6
log_k -71.1557
-delta_H 0 # Not possible to calculate enthalpy of reaction La5(OH)9+6
# Enthalpy of formation: -0 kcal/mol
La+3 + HAcetate = LaAcetate+2 + H+
-llnl_gamma 4.5
log_k -2.2063
-delta_H -12.5938 kJ/mol # Calculated enthalpy of reaction LaAcetate+2
# Enthalpy of formation: -288.71 kcal/mol
-analytic -1.0803e+1 8.5239e-4 -1.1143e+3 3.3273e+0 3.4305e+5
# -Range: 0-300
La+3 + HCO3- = LaCO3+ + H+
-llnl_gamma 4
log_k -3.212
-delta_H 89.5292 kJ/mol # Calculated enthalpy of reaction LaCO3+
# Enthalpy of formation: -313.1 kcal/mol
-analytic 2.3046e+2 5.2419e-2 -7.1063e+3 -9.1109e+1 -1.1095e+2
# -Range: 0-300
La+3 + Cl- = LaCl+2
-llnl_gamma 4.5
log_k 0.3086
-delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction LaCl+2
# Enthalpy of formation: -206.1 kcal/mol
-analytic 7.5802e+1 3.6641e-2 -1.7234e+3 -3.2578e+1 -2.6914e+1
# -Range: 0-300
2 Cl- + La+3 = LaCl2+
-llnl_gamma 4
log_k -0.0425
-delta_H 19.1041 kJ/mol # Calculated enthalpy of reaction LaCl2+
# Enthalpy of formation: -244.9 kcal/mol
-analytic 2.1632e+2 7.9274e-2 -5.5883e+3 -8.94e+1 -8.7264e+1
# -Range: 0-300
3 Cl- + La+3 = LaCl3
-llnl_gamma 3
log_k -0.3936
-delta_H 12.5478 kJ/mol # Calculated enthalpy of reaction LaCl3
# Enthalpy of formation: -286.4 kcal/mol
-analytic 4.221e+2 1.2792e-1 -1.1444e+4 -1.7062e+2 -1.7869e+2
# -Range: 0-300
4 Cl- + La+3 = LaCl4-
-llnl_gamma 4
log_k -0.818
-delta_H -7.81571 kJ/mol # Calculated enthalpy of reaction LaCl4-
# Enthalpy of formation: -331.2 kcal/mol
-analytic 4.8802e+2 1.3053e-1 -1.3344e+4 -1.9518e+2 -2.0836e+2
# -Range: 0-300
La+3 + F- = LaF+2
-llnl_gamma 4.5
log_k 3.8556
-delta_H 26.5684 kJ/mol # Calculated enthalpy of reaction LaF+2
# Enthalpy of formation: -243.4 kcal/mol
-analytic 9.6765e+1 4.0513e-2 -2.8042e+3 -3.8617e+1 -4.3785e+1
# -Range: 0-300
2 F- + La+3 = LaF2+
-llnl_gamma 4
log_k 6.685
-delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction LaF2+
# Enthalpy of formation: -325.2 kcal/mol
-analytic 2.3923e+2 8.3559e-2 -6.0536e+3 -9.5821e+1 -9.4531e+1
# -Range: 0-300
3 F- + La+3 = LaF3
-llnl_gamma 3
log_k 8.7081
-delta_H -0.6276 kJ/mol # Calculated enthalpy of reaction LaF3
# Enthalpy of formation: -410.2 kcal/mol
-analytic 4.5123e+2 1.346e-1 -1.1334e+4 -1.7967e+2 -1.7699e+2
# -Range: 0-300
4 F- + La+3 = LaF4-
-llnl_gamma 4
log_k 10.3647
-delta_H -41.4216 kJ/mol # Calculated enthalpy of reaction LaF4-
# Enthalpy of formation: -500.1 kcal/mol
-analytic 5.0747e+2 1.3563e-1 -1.1903e+4 -2.0108e+2 -1.8588e+2
# -Range: 0-300
La+3 + HPO4-2 + H+ = LaH2PO4+2
-llnl_gamma 4.5
log_k 9.7417
-delta_H -18.3468 kJ/mol # Calculated enthalpy of reaction LaH2PO4+2
# Enthalpy of formation: -482.8 kcal/mol
-analytic 1.053e+2 6.2177e-2 4.0686e+2 -4.6642e+1 6.3174e+0
# -Range: 0-300
La+3 + HCO3- = LaHCO3+2
-llnl_gamma 4.5
log_k 1.9923
-delta_H 6.68603 kJ/mol # Calculated enthalpy of reaction LaHCO3+2
# Enthalpy of formation: -332.9 kcal/mol
-analytic 3.6032e+1 3.0405e-2 5.1281e+1 -1.7478e+1 7.8933e-1
# -Range: 0-300
La+3 + HPO4-2 = LaHPO4+
-llnl_gamma 4
log_k 5.1
-delta_H 0 # Not possible to calculate enthalpy of reaction LaHPO4+
# Enthalpy of formation: -0 kcal/mol
NO3- + La+3 = LaNO3+2
-llnl_gamma 4.5
log_k 0.5813
-delta_H -29.1667 kJ/mol # Calculated enthalpy of reaction LaNO3+2
# Enthalpy of formation: -226 kcal/mol
-analytic 1.4136e+1 2.4247e-2 2.1998e+3 -1.1371e+1 3.4322e+1
# -Range: 0-300
La+3 + H2O = LaO+ + 2 H+
-llnl_gamma 4
log_k -18.1696
-delta_H 121.407 kJ/mol # Calculated enthalpy of reaction LaO+
# Enthalpy of formation: -208.9 kcal/mol
-analytic 1.8691e+2 2.9275e-2 -1.4385e+4 -6.6906e+1 -2.2452e+2
# -Range: 0-300
2 H2O + La+3 = LaO2- + 4 H+
-llnl_gamma 4
log_k -40.8105
-delta_H 318.126 kJ/mol # Calculated enthalpy of reaction LaO2-
# Enthalpy of formation: -230.2 kcal/mol
-analytic 1.8374e+2 1.2355e-2 -2.2472e+4 -6.1779e+1 -3.507e+2
# -Range: 0-300
2 H2O + La+3 = LaO2H + 3 H+
-llnl_gamma 3
log_k -27.9095
-delta_H 237.375 kJ/mol # Calculated enthalpy of reaction LaO2H
# Enthalpy of formation: -249.5 kcal/mol
-analytic 3.3862e+2 4.4808e-2 -2.4083e+4 -1.2088e+2 -3.7589e+2
# -Range: 0-300
La+3 + H2O = LaOH+2 + H+
-llnl_gamma 4.5
log_k -8.6405
-delta_H 82.4959 kJ/mol # Calculated enthalpy of reaction LaOH+2
# Enthalpy of formation: -218.2 kcal/mol
-analytic 6.5529e+1 1.1104e-2 -6.392e+3 -2.2646e+1 -9.976e+1
# -Range: 0-300
La+3 + HPO4-2 = LaPO4 + H+
-llnl_gamma 3
log_k -1.3618
-delta_H 0 # Not possible to calculate enthalpy of reaction LaPO4
# Enthalpy of formation: -0 kcal/mol
SO4-2 + La+3 = LaSO4+
-llnl_gamma 4
log_k 3.643
-delta_H 18.4096 kJ/mol # Calculated enthalpy of reaction LaSO4+
# Enthalpy of formation: -382.6 kcal/mol
-analytic 3.0657e+2 8.4093e-2 -9.1074e+3 -1.2019e+2 -1.422e+2
# -Range: 0-300
2 HAcetate + Li+ = Li(Acetate)2- + 2 H+
-llnl_gamma 4
log_k -9.2674
-delta_H -24.7609 kJ/mol # Calculated enthalpy of reaction Li(Acetate)2-
# Enthalpy of formation: -304.67 kcal/mol
-analytic -3.3702e+2 -6.0849e-2 1.1952e+4 1.2359e+2 1.8659e+2
# -Range: 0-300
Li+ + HAcetate = LiAcetate + H+
-llnl_gamma 3
log_k -4.4589
-delta_H -6.64419 kJ/mol # Calculated enthalpy of reaction LiAcetate
# Enthalpy of formation: -184.24 kcal/mol
-analytic -3.8391e+0 -7.3938e-4 -1.0829e+3 3.4134e-1 2.1318e+5
# -Range: 0-300
Li+ + Cl- = LiCl
-llnl_gamma 3
log_k -1.5115
-delta_H 3.36812 kJ/mol # Calculated enthalpy of reaction LiCl
# Enthalpy of formation: -105.68 kcal/mol
-analytic 1.2484e+2 4.1941e-2 -3.2439e+3 -5.1708e+1 -5.0655e+1
# -Range: 0-300
Li+ + H2O = LiOH + H+
-llnl_gamma 3
log_k -13.64
-delta_H 0 # Not possible to calculate enthalpy of reaction LiOH
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Li+ = LiSO4-
-llnl_gamma 4
log_k 0.77
-delta_H 0 # Not possible to calculate enthalpy of reaction LiSO4-
# Enthalpy of formation: -0 kcal/mol
2 HAcetate + Lu+3 = Lu(Acetate)2+ + 2 H+
-llnl_gamma 4
log_k -4.9625
-delta_H -38.5346 kJ/mol # Calculated enthalpy of reaction Lu(Acetate)2+
# Enthalpy of formation: -409.31 kcal/mol
-analytic -2.7341e+1 2.5097e-3 -1.4157e+3 7.5026e+0 6.9682e+5
# -Range: 0-300
3 HAcetate + Lu+3 = Lu(Acetate)3 + 3 H+
-llnl_gamma 3
log_k -8.3489
-delta_H -64.5173 kJ/mol # Calculated enthalpy of reaction Lu(Acetate)3
# Enthalpy of formation: -531.62 kcal/mol
-analytic -5.0225e+1 3.3508e-3 -6.2901e+2 1.3262e+1 9.0737e+5
# -Range: 0-300
2 HCO3- + Lu+3 = Lu(CO3)2- + 2 H+
-llnl_gamma 4
log_k -6.8576
-delta_H 0 # Not possible to calculate enthalpy of reaction Lu(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Lu+3 = Lu(HPO4)2-
-llnl_gamma 4
log_k 10.3
-delta_H 0 # Not possible to calculate enthalpy of reaction Lu(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Lu+3 = Lu(PO4)2-3 + 2 H+
-llnl_gamma 4
log_k -2.7437
-delta_H 0 # Not possible to calculate enthalpy of reaction Lu(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Lu+3 = Lu(SO4)2-
-llnl_gamma 4
log_k 5.3
-delta_H 0 # Not possible to calculate enthalpy of reaction Lu(SO4)2-
# Enthalpy of formation: -0 kcal/mol
Lu+3 + HAcetate = LuAcetate+2 + H+
-llnl_gamma 4.5
log_k -2.1037
-delta_H -18.9703 kJ/mol # Calculated enthalpy of reaction LuAcetate+2
# Enthalpy of formation: -288.534 kcal/mol
-analytic -6.5982e+0 2.4512e-3 -1.2666e+3 1.4226e+0 4.0045e+5
# -Range: 0-300
Lu+3 + HCO3- = LuCO3+ + H+
-llnl_gamma 4
log_k -2.0392
-delta_H 78.2324 kJ/mol # Calculated enthalpy of reaction LuCO3+
# Enthalpy of formation: -314.1 kcal/mol
-analytic 2.384e+2 5.4774e-2 -6.8317e+3 -9.45e+1 -1.0667e+2
# -Range: 0-300
Lu+3 + Cl- = LuCl+2
-llnl_gamma 4.5
log_k -0.0579
-delta_H 13.5269 kJ/mol # Calculated enthalpy of reaction LuCl+2
# Enthalpy of formation: -204.6 kcal/mol
-analytic 6.6161e+1 3.6521e-2 -1.2938e+3 -2.9397e+1 -2.0209e+1
# -Range: 0-300
2 Cl- + Lu+3 = LuCl2+
-llnl_gamma 4
log_k -0.6289
-delta_H 15.7569 kJ/mol # Calculated enthalpy of reaction LuCl2+
# Enthalpy of formation: -244 kcal/mol
-analytic 1.8608e+2 7.7283e-2 -4.2349e+3 -7.9007e+1 -6.6137e+1
# -Range: 0-300
3 Cl- + Lu+3 = LuCl3
-llnl_gamma 3
log_k -1.1999
-delta_H 3.56895 kJ/mol # Calculated enthalpy of reaction LuCl3
# Enthalpy of formation: -286.846 kcal/mol
-analytic 3.706e+2 1.2564e-1 -8.9374e+3 -1.5325e+2 -1.3957e+2
# -Range: 0-300
4 Cl- + Lu+3 = LuCl4-
-llnl_gamma 4
log_k -1.771
-delta_H -25.8069 kJ/mol # Calculated enthalpy of reaction LuCl4-
# Enthalpy of formation: -333.8 kcal/mol
-analytic 3.8876e+2 1.22e-1 -8.6965e+3 -1.6071e+2 -1.3582e+2
# -Range: 0-300
Lu+3 + F- = LuF+2
-llnl_gamma 4.5
log_k 4.8085
-delta_H 25.7316 kJ/mol # Calculated enthalpy of reaction LuF+2
# Enthalpy of formation: -241.9 kcal/mol
-analytic 9.0303e+1 4.0963e-2 -2.414e+3 -3.6203e+1 -3.7694e+1
# -Range: 0-300
2 F- + Lu+3 = LuF2+
-llnl_gamma 4
log_k 8.4442
-delta_H 14.2256 kJ/mol # Calculated enthalpy of reaction LuF2+
# Enthalpy of formation: -324.8 kcal/mol
-analytic 2.144e+2 8.2559e-2 -4.7009e+3 -8.679e+1 -7.3417e+1
# -Range: 0-300
3 F- + Lu+3 = LuF3
-llnl_gamma 3
log_k 11.0999
-delta_H -12.3428 kJ/mol # Calculated enthalpy of reaction LuF3
# Enthalpy of formation: -411.3 kcal/mol
-analytic 4.0247e+2 1.3233e-1 -8.6775e+3 -1.6232e+2 -1.3552e+2
# -Range: 0-300
4 F- + Lu+3 = LuF4-
-llnl_gamma 4
log_k 13.2967
-delta_H -64.0152 kJ/mol # Calculated enthalpy of reaction LuF4-
# Enthalpy of formation: -503.8 kcal/mol
-analytic 4.2541e+2 1.307e-1 -7.4276e+3 -1.722e+2 -1.1603e+2
# -Range: 0-300
Lu+3 + HPO4-2 + H+ = LuH2PO4+2
-llnl_gamma 4.5
log_k 9.595
-delta_H -23.786 kJ/mol # Calculated enthalpy of reaction LuH2PO4+2
# Enthalpy of formation: -482.4 kcal/mol
-analytic 9.4223e+1 6.1797e-2 1.1102e+3 -4.3131e+1 1.7296e+1
# -Range: 0-300
Lu+3 + HCO3- = LuHCO3+2
-llnl_gamma 4.5
log_k 1.919
-delta_H 1.66523 kJ/mol # Calculated enthalpy of reaction LuHCO3+2
# Enthalpy of formation: -332.4 kcal/mol
-analytic 2.3187e+1 2.9604e-2 8.1268e+2 -1.3252e+1 1.2674e+1
# -Range: 0-300
Lu+3 + HPO4-2 = LuHPO4+
-llnl_gamma 4
log_k 6
-delta_H 0 # Not possible to calculate enthalpy of reaction LuHPO4+
# Enthalpy of formation: -0 kcal/mol
NO3- + Lu+3 = LuNO3+2
-llnl_gamma 4.5
log_k 0.5813
-delta_H -41.7187 kJ/mol # Calculated enthalpy of reaction LuNO3+2
# Enthalpy of formation: -227.3 kcal/mol
-analytic 1.7412e+0 2.3703e-2 3.2605e+3 -7.7334e+0 5.0876e+1
# -Range: 0-300
Lu+3 + H2O = LuO+ + 2 H+
-llnl_gamma 4
log_k -15.3108
-delta_H 99.6503 kJ/mol # Calculated enthalpy of reaction LuO+
# Enthalpy of formation: -212.4 kcal/mol
-analytic 1.5946e+2 2.6603e-2 -1.2215e+4 -5.7276e+1 -1.9065e+2
# -Range: 0-300
2 H2O + Lu+3 = LuO2- + 4 H+
-llnl_gamma 4
log_k -31.9411
-delta_H 258.713 kJ/mol # Calculated enthalpy of reaction LuO2-
# Enthalpy of formation: -242.7 kcal/mol
-analytic 1.1522e+2 5.0221e-3 -1.6847e+4 -3.7244e+1 -2.6292e+2
# -Range: 0-300
2 H2O + Lu+3 = LuO2H + 3 H+
-llnl_gamma 3
log_k -23.878
-delta_H 206.832 kJ/mol # Calculated enthalpy of reaction LuO2H
# Enthalpy of formation: -255.1 kcal/mol
-analytic 2.8768e+2 4.2338e-2 -2.0443e+4 -1.033e+2 -3.1907e+2
# -Range: 0-300
Lu+3 + H2O = LuOH+2 + H+
-llnl_gamma 4.5
log_k -7.6143
-delta_H 72.0359 kJ/mol # Calculated enthalpy of reaction LuOH+2
# Enthalpy of formation: -219 kcal/mol
-analytic 4.2937e+1 9.2421e-3 -4.9953e+3 -1.4769e+1 -7.796e+1
# -Range: 0-300
Lu+3 + HPO4-2 = LuPO4 + H+
-llnl_gamma 3
log_k 0.6782
-delta_H 0 # Not possible to calculate enthalpy of reaction LuPO4
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Lu+3 = LuSO4+
-llnl_gamma 4
log_k 3.5697
-delta_H 19.5393 kJ/mol # Calculated enthalpy of reaction LuSO4+
# Enthalpy of formation: -380.63 kcal/mol
-analytic 3.0108e+2 8.5238e-2 -8.8411e+3 -1.185e+2 -1.3805e+2
# -Range: 0-300
2 HAcetate + Mg+2 = Mg(Acetate)2 + 2 H+
-llnl_gamma 3
log_k -7.473
-delta_H -23.8195 kJ/mol # Calculated enthalpy of reaction Mg(Acetate)2
# Enthalpy of formation: -349.26 kcal/mol
-analytic -4.3954e+1 -3.1842e-4 -1.2033e+3 1.3556e+1 6.3058e+5
# -Range: 0-300
4 Mg+2 + 4 H2O = Mg4(OH)4+4 + 4 H+
-llnl_gamma 5.5
log_k -39.75
-delta_H 0 # Not possible to calculate enthalpy of reaction Mg4(OH)4+4
# Enthalpy of formation: -0 kcal/mol
Mg+2 + H2O + B(OH)3 = MgB(OH)4+ + H+
-llnl_gamma 4
log_k -7.3467
-delta_H 0 # Not possible to calculate enthalpy of reaction MgB(OH)4+
# Enthalpy of formation: -0 kcal/mol
Mg+2 + HAcetate = MgAcetate+ + H+
-llnl_gamma 4
log_k -3.4781
-delta_H -8.42239 kJ/mol # Calculated enthalpy of reaction MgAcetate+
# Enthalpy of formation: -229.48 kcal/mol
-analytic -2.3548e+1 -1.6071e-3 -4.2228e+2 7.7009e+0 2.5981e+5
# -Range: 0-300
Mg+2 + HCO3- = MgCO3 + H+
-llnl_gamma 3
log_k -7.3499
-delta_H 23.8279 kJ/mol # Calculated enthalpy of reaction MgCO3
# Enthalpy of formation: -270.57 kcal/mol
-analytic 2.3465e+2 5.5538e-2 -8.3947e+3 -9.3104e+1 -1.3106e+2
# -Range: 0-300
Mg+2 + Cl- = MgCl+
-llnl_gamma 4
log_k -0.1349
-delta_H -0.58576 kJ/mol # Calculated enthalpy of reaction MgCl+
# Enthalpy of formation: -151.44 kcal/mol
-analytic 4.3363e+1 3.2858e-2 1.1878e+2 -2.1688e+1 1.8403e+0
# -Range: 0-300
Mg+2 + F- = MgF+
-llnl_gamma 4
log_k 1.3524
-delta_H 2.37233 kJ/mol # Calculated enthalpy of reaction MgF+
# Enthalpy of formation: -190.95 kcal/mol
-analytic 6.4311e+1 3.5184e-2 -7.3241e+2 -2.8678e+1 -1.1448e+1
# -Range: 0-300
Mg+2 + HPO4-2 + H+ = MgH2PO4+
-llnl_gamma 4
log_k 1.66
-delta_H 0 # Not possible to calculate enthalpy of reaction MgH2PO4+
# Enthalpy of formation: -0 kcal/mol
Mg+2 + HCO3- = MgHCO3+
-llnl_gamma 4
log_k 1.0357
-delta_H 2.15476 kJ/mol # Calculated enthalpy of reaction MgHCO3+
# Enthalpy of formation: -275.75 kcal/mol
-analytic 3.8459e+1 3.0076e-2 9.8068e+1 -1.8869e+1 1.5187e+0
# -Range: 0-300
Mg+2 + HPO4-2 = MgHPO4
-llnl_gamma 3
log_k 2.91
-delta_H 0 # Not possible to calculate enthalpy of reaction MgHPO4
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Mg+2 = MgP2O7-2 + H2O
-llnl_gamma 4
log_k 3.4727
-delta_H 38.5451 kJ/mol # Calculated enthalpy of reaction MgP2O7-2
# Enthalpy of formation: -2725.74 kJ/mol
-analytic 4.8038e+2 1.253e-1 -1.5175e+4 -1.8724e+2 -2.3693e+2
# -Range: 0-300
Mg+2 + HPO4-2 = MgPO4- + H+
-llnl_gamma 4
log_k -5.7328
-delta_H 0 # Not possible to calculate enthalpy of reaction MgPO4-
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Mg+2 = MgSO4
-llnl_gamma 3
log_k 2.4117
-delta_H 19.6051 kJ/mol # Calculated enthalpy of reaction MgSO4
# Enthalpy of formation: -1355.96 kJ/mol
-analytic 1.7994e+2 6.4715e-2 -4.7314e+3 -7.3123e+1 -8.0408e+1
# -Range: 0-200
2 HAcetate + Mn+2 = Mn(Acetate)2 + 2 H+
-llnl_gamma 3
log_k -7.4547
-delta_H -11.4893 kJ/mol # Calculated enthalpy of reaction Mn(Acetate)2
# Enthalpy of formation: -287.67 kcal/mol
-analytic -9.0558e-1 5.9656e-3 -4.3531e+3 -1.1063e+0 8.0323e+5
# -Range: 0-300
3 HAcetate + Mn+2 = Mn(Acetate)3- + 3 H+
-llnl_gamma 4
log_k -11.8747
-delta_H -30.3591 kJ/mol # Calculated enthalpy of reaction Mn(Acetate)3-
# Enthalpy of formation: -408.28 kcal/mol
-analytic -3.8531e+0 -9.914e-3 -1.2065e+4 5.1424e+0 2.0175e+6
# -Range: 0-300
2 NO3- + Mn+2 = Mn(NO3)2
-llnl_gamma 3
log_k 0.6
-delta_H 0 # Not possible to calculate enthalpy of reaction Mn(NO3)2
# Enthalpy of formation: -0 kcal/mol
2 H2O + Mn+2 = Mn(OH)2 + 2 H+
-llnl_gamma 3
log_k -22.2
-delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)2
# Enthalpy of formation: -0 kcal/mol
3 H2O + Mn+2 = Mn(OH)3- + 3 H+
-llnl_gamma 4
log_k -34.2278
-delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)3-
# Enthalpy of formation: -0 kcal/mol
4 H2O + Mn+2 = Mn(OH)4-2 + 4 H+
-llnl_gamma 4
log_k -48.3
-delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)4-2
# Enthalpy of formation: -0 kcal/mol
3 H2O + 2 Mn+2 = Mn2(OH)3+ + 3 H+
-llnl_gamma 4
log_k -23.9
-delta_H 0 # Not possible to calculate enthalpy of reaction Mn2(OH)3+
# Enthalpy of formation: -0 kcal/mol
2 Mn+2 + H2O = Mn2OH+3 + H+
-llnl_gamma 5
log_k -10.56
-delta_H 0 # Not possible to calculate enthalpy of reaction Mn2OH+3
# Enthalpy of formation: -0 kcal/mol
Mn+2 + HAcetate = MnAcetate+ + H+
-llnl_gamma 4
log_k -3.5404
-delta_H -3.07942 kJ/mol # Calculated enthalpy of reaction MnAcetate+
# Enthalpy of formation: -169.56 kcal/mol
-analytic -1.4061e+1 1.8149e-3 -8.6438e+2 4.0354e+0 2.5831e+5
# -Range: 0-300
Mn+2 + HCO3- = MnCO3 + H+
-llnl_gamma 3
log_k -5.8088
-delta_H 0 # Not possible to calculate enthalpy of reaction MnCO3
# Enthalpy of formation: -0 kcal/mol
Mn+2 + Cl- = MnCl+
-llnl_gamma 4
log_k 0.3013
-delta_H 18.3134 kJ/mol # Calculated enthalpy of reaction MnCl+
# Enthalpy of formation: -88.28 kcal/mol
-analytic 8.7072e+1 4.0361e-2 -2.1786e+3 -3.6966e+1 -3.4022e+1
# -Range: 0-300
3 Cl- + Mn+2 = MnCl3-
-llnl_gamma 4
log_k -0.3324
-delta_H 0 # Not possible to calculate enthalpy of reaction MnCl3-
# Enthalpy of formation: -0 kcal/mol
Mn+2 + F- = MnF+
-llnl_gamma 4
log_k 1.43
-delta_H 0 # Not possible to calculate enthalpy of reaction MnF+
# Enthalpy of formation: -0 kcal/mol
Mn+2 + HPO4-2 + H+ = MnH2PO4+
-llnl_gamma 4
log_k 8.5554
-delta_H 0 # Not possible to calculate enthalpy of reaction MnH2PO4+
# Enthalpy of formation: -0 kcal/mol
Mn+2 + HCO3- = MnHCO3+
-llnl_gamma 4
log_k 0.8816
-delta_H 0 # Not possible to calculate enthalpy of reaction MnHCO3+
# Enthalpy of formation: -0 kcal/mol
Mn+2 + HPO4-2 = MnHPO4
-llnl_gamma 3
log_k 3.58
-delta_H 0 # Not possible to calculate enthalpy of reaction MnHPO4
# Enthalpy of formation: -0 kcal/mol
NO3- + Mn+2 = MnNO3+
-llnl_gamma 4
log_k 0.2
-delta_H 0 # Not possible to calculate enthalpy of reaction MnNO3+
# Enthalpy of formation: -0 kcal/mol
1.5 H2O + 1.25 O2 + Mn+2 = MnO4- + 3 H+
-llnl_gamma 3.5
log_k -20.2963
-delta_H 123.112 kJ/mol # Calculated enthalpy of reaction MnO4-
# Enthalpy of formation: -129.4 kcal/mol
-analytic 1.8544e+1 -1.7618e-2 -6.7332e+3 -3.3193e+0 -2.4924e+5
# -Range: 0-300
Mn+2 + H2O = MnOH+ + H+
-llnl_gamma 4
log_k -10.59
-delta_H 0 # Not possible to calculate enthalpy of reaction MnOH+
# Enthalpy of formation: -0 kcal/mol
Mn+2 + HPO4-2 = MnPO4- + H+
-llnl_gamma 4
log_k -5.1318
-delta_H 0 # Not possible to calculate enthalpy of reaction MnPO4-
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Mn+2 = MnSO4
-llnl_gamma 3
log_k 2.3529
-delta_H 14.1168 kJ/mol # Calculated enthalpy of reaction MnSO4
# Enthalpy of formation: -266.75 kcal/mol
-analytic 2.9448e+2 8.5294e-2 -8.1366e+3 -1.1729e+2 -1.2705e+2
# -Range: 0-300
SeO4-2 + Mn+2 = MnSeO4
-llnl_gamma 3
log_k 2.43
-delta_H 0 # Not possible to calculate enthalpy of reaction MnSeO4
# Enthalpy of formation: -0 kcal/mol
2 HAcetate + NH3 = NH4(Acetate)2- + H+
-llnl_gamma 4
log_k -0.1928
-delta_H -56.735 kJ/mol # Calculated enthalpy of reaction NH4(Acetate)2-
# Enthalpy of formation: -265.2 kcal/mol
-analytic 3.7137e+1 -1.2242e-2 -8.4764e+3 -8.4308e+0 1.3883e+6
# -Range: 0-300
NH3 + H+ = NH4+
-llnl_gamma 2.5
log_k 9.241
-delta_H -51.9234 kJ/mol # Calculated enthalpy of reaction NH4+
# Enthalpy of formation: -31.85 kcal/mol
-analytic -1.4527e+1 -5.0518e-3 3.0447e+3 6.0865e+0 4.7515e+1
# -Range: 0-300
NH3 + HAcetate = NH4Acetate
-llnl_gamma 3
log_k 4.6964
-delta_H -48.911 kJ/mol # Calculated enthalpy of reaction NH4Acetate
# Enthalpy of formation: -147.23 kcal/mol
-analytic 1.4104e+1 -4.3664e-3 -1.0746e+3 -3.6999e+0 4.1428e+5
# -Range: 0-300
SO4-2 + NH3 + H+ = NH4SO4-
-llnl_gamma 4
log_k 0.94
-delta_H 0 # Not possible to calculate enthalpy of reaction NH4SO4-
# Enthalpy of formation: -0 kcal/mol
Sb(OH)3 + NH3 = NH4SbO2 + H2O
-llnl_gamma 3
log_k -2.5797
-delta_H 0 # Not possible to calculate enthalpy of reaction NH4SbO2
# Enthalpy of formation: -0 kcal/mol
2 HAcetate + Na+ = Na(Acetate)2- + 2 H+
-llnl_gamma 4
log_k -9.9989
-delta_H -11.5771 kJ/mol # Calculated enthalpy of reaction Na(Acetate)2-
# Enthalpy of formation: -292.4 kcal/mol
-analytic -2.9232e+2 -5.5708e-2 9.6601e+3 1.0772e+2 1.5082e+2
# -Range: 0-300
O_phthalate-2 + Na+ = Na(O_phthalate)-
-llnl_gamma 4
log_k 0.7
-delta_H 0 # Not possible to calculate enthalpy of reaction Na(O_phthalate)-
# Enthalpy of formation: -0 kcal/mol
2 Na+ + 2 HPO4-2 = Na2P2O7-2 + H2O
-llnl_gamma 4
log_k 0.4437
-delta_H 0 # Not possible to calculate enthalpy of reaction Na2P2O7-2
# Enthalpy of formation: -0 kcal/mol
2 H2O + Na+ + Al+3 = NaAlO2 + 4 H+
-llnl_gamma 3
log_k -23.6266
-delta_H 190.326 kJ/mol # Calculated enthalpy of reaction NaAlO2
# Enthalpy of formation: -277.259 kcal/mol
-analytic 1.2288e+2 3.4921e-2 -1.2808e+4 -4.6046e+1 -1.999e+2
# -Range: 0-300
Na+ + H2O + B(OH)3 = NaB(OH)4 + H+
-llnl_gamma 3
log_k -8.974
-delta_H 0 # Not possible to calculate enthalpy of reaction NaB(OH)4
# Enthalpy of formation: -0 kcal/mol
Na+ + Br- = NaBr
-llnl_gamma 3
log_k -1.3568
-delta_H 6.87431 kJ/mol # Calculated enthalpy of reaction NaBr
# Enthalpy of formation: -84.83 kcal/mol
-analytic 1.1871e+2 3.7271e-2 -3.4061e+3 -4.8386e+1 -5.3184e+1
# -Range: 0-300
Na+ + HAcetate = NaAcetate + H+
-llnl_gamma 3
log_k -4.8606
-delta_H -0.029288 kJ/mol # Calculated enthalpy of reaction NaAcetate
# Enthalpy of formation: -173.54 kcal/mol
-analytic 6.4833e+0 -1.8739e-3 -2.0902e+3 -2.6121e+0 2.399e+5
# -Range: 0-300
Na+ + HCO3- = NaCO3- + H+
-llnl_gamma 4
log_k -9.8144
-delta_H -5.6521 kJ/mol # Calculated enthalpy of reaction NaCO3-
# Enthalpy of formation: -935.885 kJ/mol
-analytic 1.6939e+2 5.3122e-4 -7.6768e+3 -6.2078e+1 -1.1984e+2
# -Range: 0-300
Na+ + Cl- = NaCl
-llnl_gamma 3
log_k -0.777
-delta_H 5.21326 kJ/mol # Calculated enthalpy of reaction NaCl
# Enthalpy of formation: -96.12 kcal/mol
-analytic 1.1398e+2 3.6386e-2 -3.0847e+3 -4.6571e+1 -4.8167e+1
# -Range: 0-300
Na+ + F- = NaF
-llnl_gamma 3
log_k -0.9976
-delta_H 7.20903 kJ/mol # Calculated enthalpy of reaction NaF
# Enthalpy of formation: -135.86 kcal/mol
-analytic 1.2507e+2 3.8619e-2 -3.5436e+3 -5.0787e+1 -5.5332e+1
# -Range: 0-300
Na+ + HCO3- = NaHCO3
-llnl_gamma 3
log_k 0.1541
-delta_H -13.7741 kJ/mol # Calculated enthalpy of reaction NaHCO3
# Enthalpy of formation: -944.007 kJ/mol
-analytic -9.0668e+1 -2.9866e-2 2.7947e+3 3.6515e+1 4.7489e+1
# -Range: 0-200
2 HPO4-2 + Na+ + H+ = NaHP2O7-2 + H2O
-llnl_gamma 4
log_k 6.8498
-delta_H 0 # Not possible to calculate enthalpy of reaction NaHP2O7-2
# Enthalpy of formation: -0 kcal/mol
Na+ + HPO4-2 = NaHPO4-
-llnl_gamma 4
log_k 0.92
-delta_H 0 # Not possible to calculate enthalpy of reaction NaHPO4-
# Enthalpy of formation: -0 kcal/mol
SiO2 + Na+ + H2O = NaHSiO3 + H+
-llnl_gamma 3
log_k -8.304
-delta_H 11.6524 kJ/mol # Calculated enthalpy of reaction NaHSiO3
# Enthalpy of formation: -332.74 kcal/mol
-analytic 3.6045e+1 -9.0411e-3 -6.6605e+3 -1.0447e+1 5.8415e+5
# -Range: 0-300
Na+ + I- = NaI
-llnl_gamma 3
log_k -1.54
-delta_H 7.33455 kJ/mol # Calculated enthalpy of reaction NaI
# Enthalpy of formation: -69.28 kcal/mol
-analytic 9.8742e+1 3.2917e-2 -2.7576e+3 -4.0748e+1 -4.3058e+1
# -Range: 0-300
Na+ + H2O = NaOH + H+
-llnl_gamma 3
log_k -14.7948
-delta_H 53.6514 kJ/mol # Calculated enthalpy of reaction NaOH
# Enthalpy of formation: -112.927 kcal/mol
-analytic 8.7326e+1 2.3555e-2 -5.477e+3 -3.6678e+1 -8.5489e+1
# -Range: 0-300
2 HPO4-2 + Na+ = NaP2O7-3 + H2O
-llnl_gamma 4
log_k -1.4563
-delta_H 0 # Not possible to calculate enthalpy of reaction NaP2O7-3
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Na+ = NaSO4-
-llnl_gamma 4
log_k 0.82
-delta_H 0 # Not possible to calculate enthalpy of reaction NaSO4-
# Enthalpy of formation: -0 kcal/mol
2 HAcetate + Nd+3 = Nd(Acetate)2+ + 2 H+
-llnl_gamma 4
log_k -4.9771
-delta_H -22.6354 kJ/mol # Calculated enthalpy of reaction Nd(Acetate)2+
# Enthalpy of formation: -404.11 kcal/mol
-analytic -2.2128e+1 1.0975e-3 -7.1543e+2 5.8799e+0 4.1748e+5
# -Range: 0-300
3 HAcetate + Nd+3 = Nd(Acetate)3 + 3 H+
-llnl_gamma 3
log_k -8.2976
-delta_H -38.8694 kJ/mol # Calculated enthalpy of reaction Nd(Acetate)3
# Enthalpy of formation: -524.09 kcal/mol
-analytic -4.5726e+1 -2.6143e-3 5.9389e+2 1.2679e+1 4.332e+5
# -Range: 0-300
2 HCO3- + Nd+3 = Nd(CO3)2- + 2 H+
-llnl_gamma 4
log_k -8.0576
-delta_H 0 # Not possible to calculate enthalpy of reaction Nd(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Nd+3 = Nd(HPO4)2-
-llnl_gamma 4
log_k 9.1
-delta_H 0 # Not possible to calculate enthalpy of reaction Nd(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
# Redundant with NdO2-
#4.0000 H2O + 1.0000 Nd+++ = Nd(OH)4- +4.0000 H+
# -llnl_gamma 4.0
# log_k -37.0803
# -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)4-
## Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Nd+3 = Nd(PO4)2-3 + 2 H+
-llnl_gamma 4
log_k -5.1437
-delta_H 0 # Not possible to calculate enthalpy of reaction Nd(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Nd+3 = Nd(SO4)2-
-llnl_gamma 4
log_k -255.7478
-delta_H 0 # Not possible to calculate enthalpy of reaction Nd(SO4)2-
# Enthalpy of formation: -0 kcal/mol
2 Nd+3 + 2 H2O = Nd2(OH)2+4 + 2 H+
-llnl_gamma 5.5
log_k -13.8902
-delta_H 0 # Not possible to calculate enthalpy of reaction Nd2(OH)2+4
# Enthalpy of formation: -0 kcal/mol
Nd+3 + HAcetate = NdAcetate+2 + H+
-llnl_gamma 4.5
log_k -2.0891
-delta_H -12.0081 kJ/mol # Calculated enthalpy of reaction NdAcetate+2
# Enthalpy of formation: -285.47 kcal/mol
-analytic -1.6006e+1 4.1948e-4 -3.6469e+2 4.928e+0 2.5187e+5
# -Range: 0-300
Nd+3 + HCO3- = NdCO3+ + H+
-llnl_gamma 4
log_k -2.6256
-delta_H 91.6212 kJ/mol # Calculated enthalpy of reaction NdCO3+
# Enthalpy of formation: -309.5 kcal/mol
-analytic 2.3399e+2 5.3454e-2 -7.0513e+3 -9.25e+1 -1.101e+2
# -Range: 0-300
Nd+3 + Cl- = NdCl+2
-llnl_gamma 4.5
log_k 0.3086
-delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction NdCl+2
# Enthalpy of formation: -203 kcal/mol
-analytic 9.4587e+1 3.9331e-2 -2.42e+3 -3.955e+1 -3.779e+1
# -Range: 0-300
2 Cl- + Nd+3 = NdCl2+
-llnl_gamma 4
log_k 0.0308
-delta_H 20.3593 kJ/mol # Calculated enthalpy of reaction NdCl2+
# Enthalpy of formation: -241.5 kcal/mol
-analytic 2.584e+2 8.4118e-2 -7.2056e+3 -1.0477e+2 -1.1251e+2
# -Range: 0-300
3 Cl- + Nd+3 = NdCl3
-llnl_gamma 3
log_k -0.3203
-delta_H 15.0582 kJ/mol # Calculated enthalpy of reaction NdCl3
# Enthalpy of formation: -282.7 kcal/mol
-analytic 4.9362e+2 1.3485e-1 -1.4309e+4 -1.9645e+2 -2.2343e+2
# -Range: 0-300
4 Cl- + Nd+3 = NdCl4-
-llnl_gamma 4
log_k -0.7447
-delta_H -3.21331 kJ/mol # Calculated enthalpy of reaction NdCl4-
# Enthalpy of formation: -327 kcal/mol
-analytic 6.0548e+2 1.4227e-1 -1.8055e+4 -2.3765e+2 -2.8191e+2
# -Range: 0-300
Nd+3 + F- = NdF+2
-llnl_gamma 4.5
log_k 4.3687
-delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction NdF+2
# Enthalpy of formation: -241.2 kcal/mol
-analytic 1.1461e+2 4.3014e-2 -3.2461e+3 -4.5326e+1 -5.0687e+1
# -Range: 0-300
2 F- + Nd+3 = NdF2+
-llnl_gamma 4
log_k 7.5646
-delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction NdF2+
# Enthalpy of formation: -323.5 kcal/mol
-analytic 2.7901e+2 8.791e-2 -7.2424e+3 -1.1046e+2 -1.1309e+2
# -Range: 0-300
3 F- + Nd+3 = NdF3
-llnl_gamma 3
log_k 9.8809
-delta_H -8.1588 kJ/mol # Calculated enthalpy of reaction NdF3
# Enthalpy of formation: -408.9 kcal/mol
-analytic 5.222e+2 1.4154e-1 -1.3697e+4 -2.0551e+2 -2.1388e+2
# -Range: 0-300
4 F- + Nd+3 = NdF4-
-llnl_gamma 4
log_k 11.8307
-delta_H -48.5344 kJ/mol # Calculated enthalpy of reaction NdF4-
# Enthalpy of formation: -498.7 kcal/mol
-analytic 6.1972e+2 1.462e-1 -1.5869e+4 -2.4175e+2 -2.478e+2
# -Range: 0-300
Nd+3 + HPO4-2 + H+ = NdH2PO4+2
-llnl_gamma 4.5
log_k 9.5152
-delta_H -15.736 kJ/mol # Calculated enthalpy of reaction NdH2PO4+2
# Enthalpy of formation: -479.076 kcal/mol
-analytic 1.245e+2 6.4953e-2 -4.0524e+2 -5.3728e+1 -6.3603e+0
# -Range: 0-300
Nd+3 + HCO3- = NdHCO3+2
-llnl_gamma 4.5
log_k 1.8457
-delta_H 9.19643 kJ/mol # Calculated enthalpy of reaction NdHCO3+2
# Enthalpy of formation: -329.2 kcal/mol
-analytic 5.553e+1 3.3254e-2 -7.3859e+2 -2.469e+1 -1.1542e+1
# -Range: 0-300
Nd+3 + HPO4-2 = NdHPO4+
-llnl_gamma 4
log_k 5.4
-delta_H 0 # Not possible to calculate enthalpy of reaction NdHPO4+
# Enthalpy of formation: -0 kcal/mol
Nd+3 + NO3- = NdNO3+2
-llnl_gamma 4.5
log_k 0.7902
-delta_H -27.8529 kJ/mol # Calculated enthalpy of reaction NdNO3+2
# Enthalpy of formation: -222.586 kcal/mol
-analytic 3.385e+1 2.7112e-2 1.4404e+3 -1.857e+1 2.2466e+1
# -Range: 0-300
Nd+3 + H2O = NdO+ + 2 H+
-llnl_gamma 4
log_k -17.0701
-delta_H 116.386 kJ/mol # Calculated enthalpy of reaction NdO+
# Enthalpy of formation: -207 kcal/mol
-analytic 1.8961e+2 3.0563e-2 -1.4153e+4 -6.8024e+1 -2.2089e+2
# -Range: 0-300
2 H2O + Nd+3 = NdO2- + 4 H+
-llnl_gamma 4
log_k -37.0721
-delta_H 298.88 kJ/mol # Calculated enthalpy of reaction NdO2-
# Enthalpy of formation: -231.7 kcal/mol
-analytic 1.9606e+2 1.4784e-2 -2.1838e+4 -6.6399e+1 -3.4082e+2
# -Range: 0-300
2 H2O + Nd+3 = NdO2H + 3 H+
-llnl_gamma 3
log_k -26.3702
-delta_H 230.681 kJ/mol # Calculated enthalpy of reaction NdO2H
# Enthalpy of formation: -248 kcal/mol
-analytic 3.4617e+2 4.5955e-2 -2.396e+4 -1.2361e+2 -3.7398e+2
# -Range: 0-300
Nd+3 + H2O = NdOH+2 + H+
-llnl_gamma 4.5
log_k -8.1274
-delta_H 80.8223 kJ/mol # Calculated enthalpy of reaction NdOH+2
# Enthalpy of formation: -215.5 kcal/mol
-analytic 6.6963e+1 1.2182e-2 -6.2797e+3 -2.33e+1 -9.8008e+1
# -Range: 0-300
Nd+3 + HPO4-2 = NdPO4 + H+
-llnl_gamma 3
log_k -0.5218
-delta_H 0 # Not possible to calculate enthalpy of reaction NdPO4
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Nd+3 = NdSO4+
-llnl_gamma 4
log_k 3.643
-delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction NdSO4+
# Enthalpy of formation: -379.1 kcal/mol
-analytic 3.0267e+2 8.5362e-2 -8.9211e+3 -1.1902e+2 -1.3929e+2
# -Range: 0-300
2 HAcetate + Ni+2 = Ni(Acetate)2 + 2 H+
-llnl_gamma 3
log_k -7.1908
-delta_H -25.8571 kJ/mol # Calculated enthalpy of reaction Ni(Acetate)2
# Enthalpy of formation: -251.28 kcal/mol
-analytic -2.966e+1 1.0643e-3 -1.006e+3 7.9358e+0 5.2562e+5
# -Range: 0-300
3 HAcetate + Ni+2 = Ni(Acetate)3- + 3 H+
-llnl_gamma 4
log_k -11.3543
-delta_H -53.6807 kJ/mol # Calculated enthalpy of reaction Ni(Acetate)3-
# Enthalpy of formation: -374.03 kcal/mol
-analytic 5.085e+1 -8.2435e-3 -1.3049e+4 -1.541e+1 1.9704e+6
# -Range: 0-300
2 NH3 + Ni+2 = Ni(NH3)2+2
-llnl_gamma 4.5
log_k 5.0598
-delta_H -29.7505 kJ/mol # Calculated enthalpy of reaction Ni(NH3)2+2
# Enthalpy of formation: -246.398 kJ/mol
-analytic 1.0002e+2 5.2896e-3 -2.5967e+3 -3.5485e+1 -4.0548e+1
# -Range: 0-300
6 NH3 + Ni+2 = Ni(NH3)6+2
-llnl_gamma 4.5
log_k 8.7344
-delta_H -88.0436 kJ/mol # Calculated enthalpy of reaction Ni(NH3)6+2
# Enthalpy of formation: -630.039 kJ/mol
-analytic 1.9406e+2 -1.3467e-2 -5.2321e+3 -6.6168e+1 -8.1699e+1
# -Range: 0-300
2 NO3- + Ni+2 = Ni(NO3)2
-llnl_gamma 3
log_k 0.1899
-delta_H -1.54153 kJ/mol # Calculated enthalpy of reaction Ni(NO3)2
# Enthalpy of formation: -469.137 kJ/mol
-analytic -4.2544e+1 -1.0101e-2 1.3496e+3 1.6663e+1 2.2933e+1
# -Range: 0-200
2 H2O + Ni+2 = Ni(OH)2 + 2 H+
-llnl_gamma 3
log_k -19.9902
-delta_H 0 # Not possible to calculate enthalpy of reaction Ni(OH)2
# Enthalpy of formation: -0 kcal/mol
3 H2O + Ni+2 = Ni(OH)3- + 3 H+
-llnl_gamma 4
log_k -30.9852
-delta_H 0 # Not possible to calculate enthalpy of reaction Ni(OH)3-
# Enthalpy of formation: -0 kcal/mol
2 Ni+2 + H2O = Ni2OH+3 + H+
-llnl_gamma 5
log_k -10.7
-delta_H 0 # Not possible to calculate enthalpy of reaction Ni2OH+3
# Enthalpy of formation: -0 kcal/mol
4 Ni+2 + 4 H2O = Ni4(OH)4+4 + 4 H+
-llnl_gamma 5.5
log_k -27.6803
-delta_H 0 # Not possible to calculate enthalpy of reaction Ni4(OH)4+4
# Enthalpy of formation: -0 kcal/mol
Ni+2 + Br- = NiBr+
-llnl_gamma 4
log_k -0.37
-delta_H 0 # Not possible to calculate enthalpy of reaction NiBr+
# Enthalpy of formation: -0 kcal/mol
Ni+2 + HAcetate = NiAcetate+ + H+
-llnl_gamma 4
log_k -3.3278
-delta_H -10.2508 kJ/mol # Calculated enthalpy of reaction NiAcetate+
# Enthalpy of formation: -131.45 kcal/mol
-analytic -3.311e+0 1.6895e-3 -1.0556e+3 2.7168e-2 2.635e+5
# -Range: 0-300
Ni+2 + Cl- = NiCl+
-llnl_gamma 4
log_k -0.9962
-delta_H 5.99567 kJ/mol # Calculated enthalpy of reaction NiCl+
# Enthalpy of formation: -51.4 kcal/mol
-analytic 9.537e+1 3.8521e-2 -2.1746e+3 -4.0629e+1 -3.3961e+1
# -Range: 0-300
2 HPO4-2 + Ni+2 + H+ = NiHP2O7- + H2O
-llnl_gamma 4
log_k 9.268
-delta_H 0 # Not possible to calculate enthalpy of reaction NiHP2O7-
# Enthalpy of formation: -0 kcal/mol
Ni+2 + NO3- = NiNO3+
-llnl_gamma 4
log_k 0.4
-delta_H 0 # Not possible to calculate enthalpy of reaction NiNO3+
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Ni+2 = NiP2O7-2 + H2O
-llnl_gamma 4
log_k 3.1012
-delta_H 9.68819 kJ/mol # Calculated enthalpy of reaction NiP2O7-2
# Enthalpy of formation: -2342.61 kJ/mol
-analytic 4.6809e+2 1.0985e-1 -1.431e+4 -1.8173e+2 -2.2344e+2
# -Range: 0-300
SO4-2 + Ni+2 = NiSO4
-llnl_gamma 3
log_k 2.1257
-delta_H 2.36814 kJ/mol # Calculated enthalpy of reaction NiSO4
# Enthalpy of formation: -229.734 kcal/mol
-analytic 6.1187e+1 2.4211e-2 -1.218e+3 -2.513e+1 -2.0705e+1
# -Range: 0-200
SeO4-2 + Ni+2 = NiSeO4
-llnl_gamma 3
log_k 2.67
-delta_H 0 # Not possible to calculate enthalpy of reaction NiSeO4
# Enthalpy of formation: -0 kcal/mol
5 HCO3- + Np+4 = Np(CO3)5-6 + 5 H+
-llnl_gamma 4
log_k -13.344
-delta_H 92.7067 kJ/mol # Calculated enthalpy of reaction Np(CO3)5-6
# Enthalpy of formation: -935.22 kcal/mol
-analytic 6.3005e+2 2.3388e-1 -1.8328e+4 -2.6334e+2 -2.8618e+2
# -Range: 0-300
2 HPO4-2 + 2 H+ + Np+3 = Np(H2PO4)2+
-llnl_gamma 4
log_k 3.7
-delta_H -1.55258 kJ/mol # Calculated enthalpy of reaction Np(H2PO4)2+
# Enthalpy of formation: -743.981 kcal/mol
-analytic 7.8161e+2 2.8446e-1 -1.233e+4 -3.3194e+2 -2.1056e+2
# -Range: 25-150
3 HPO4-2 + 3 H+ + Np+3 = Np(H2PO4)3
-llnl_gamma 3
log_k 5.6
-delta_H -21.8575 kJ/mol # Calculated enthalpy of reaction Np(H2PO4)3
# Enthalpy of formation: -1057.65 kcal/mol
-analytic 1.515e+3 4.4939e-1 -3.2766e+4 -6.1975e+2 -5.5934e+2
# -Range: 25-150
2 HPO4-2 + Np+4 = Np(HPO4)2
-llnl_gamma 3
log_k 23.7
-delta_H -35.24 kJ/mol # Calculated enthalpy of reaction Np(HPO4)2
# Enthalpy of formation: -758.94 kcal/mol
-analytic 4.7722e+2 2.1099e-1 -4.7296e+3 -2.0229e+2 -8.0831e+1
# -Range: 25-150
3 HPO4-2 + Np+4 = Np(HPO4)3-2
-llnl_gamma 4
log_k 33.4
-delta_H -44.9093 kJ/mol # Calculated enthalpy of reaction Np(HPO4)3-2
# Enthalpy of formation: -1070.07 kcal/mol
-analytic -1.5951e+3 -3.6579e-1 5.1343e+4 6.3262e+2 8.7619e+2
# -Range: 25-150
4 HPO4-2 + Np+4 = Np(HPO4)4-4
-llnl_gamma 4
log_k 43.2
-delta_H -67.0803 kJ/mol # Calculated enthalpy of reaction Np(HPO4)4-4
# Enthalpy of formation: -1384.18 kcal/mol
-analytic 5.8359e+3 1.5194e+0 -1.6349e+5 -2.3025e+3 -2.7903e+3
# -Range: 25-150
5 HPO4-2 + Np+4 = Np(HPO4)5-6
-llnl_gamma 4
log_k 52
-delta_H -83.5401 kJ/mol # Calculated enthalpy of reaction Np(HPO4)5-6
# Enthalpy of formation: -1696.93 kcal/mol
-analytic -1.8082e+3 -2.0018e-1 7.5155e+4 6.74e+2 1.2824e+3
# -Range: 25-150
2 H2O + Np+4 = Np(OH)2+2 + 2 H+
-llnl_gamma 4.5
log_k -2.8
-delta_H 77.0669 kJ/mol # Calculated enthalpy of reaction Np(OH)2+2
# Enthalpy of formation: -251.102 kcal/mol
-analytic 2.9299e+3 6.5812e-1 -9.5085e+4 -1.1356e+3 -1.6227e+3
# -Range: 25-150
3 H2O + Np+4 = Np(OH)3+ + 3 H+
-llnl_gamma 4
log_k -5.8
-delta_H 99.5392 kJ/mol # Calculated enthalpy of reaction Np(OH)3+
# Enthalpy of formation: -314.048 kcal/mol
-analytic -4.7723e+3 -1.181e+0 1.3545e+5 1.885e+3 2.3117e+3
# -Range: 25-150
4 H2O + Np+4 = Np(OH)4 + 4 H+
-llnl_gamma 3
log_k -9.6
-delta_H 109.585 kJ/mol # Calculated enthalpy of reaction Np(OH)4
# Enthalpy of formation: -379.964 kcal/mol
-analytic -5.5904e+3 -1.3639e+0 1.6112e+5 2.2013e+3 2.7498e+3
# -Range: 25-150
2 SO4-2 + Np+4 = Np(SO4)2
-llnl_gamma 3
log_k 9.9
-delta_H 40.005 kJ/mol # Calculated enthalpy of reaction Np(SO4)2
# Enthalpy of formation: -558.126 kcal/mol
-analytic -9.0765e+2 -1.8494e-1 2.7951e+4 3.5521e+2 4.7702e+2
# -Range: 25-150
Np+4 + Cl- = NpCl+3
-llnl_gamma 5
log_k 0.2
-delta_H 20.3737 kJ/mol # Calculated enthalpy of reaction NpCl+3
# Enthalpy of formation: -167.951 kcal/mol
-analytic 8.3169e+2 2.6267e-1 -2.1618e+4 -3.3838e+2 -3.6898e+2
# -Range: 25-150
2 Cl- + Np+4 = NpCl2+2
-llnl_gamma 4.5
log_k -0.1
-delta_H 94.5853 kJ/mol # Calculated enthalpy of reaction NpCl2+2
# Enthalpy of formation: -190.147 kcal/mol
-analytic -1.5751e+3 -3.8759e-1 4.2054e+4 6.2619e+2 7.1777e+2
# -Range: 25-150
Np+4 + F- = NpF+3
-llnl_gamma 5
log_k 8.7
-delta_H -3.43746 kJ/mol # Calculated enthalpy of reaction NpF+3
# Enthalpy of formation: -213.859 kcal/mol
-analytic 2.7613e+0 1.3498e-3 -1.6411e+3 2.9074e+0 3.4192e+5
# -Range: 25-150
2 F- + Np+4 = NpF2+2
-llnl_gamma 4.5
log_k 15.4
-delta_H 6.03094 kJ/mol # Calculated enthalpy of reaction NpF2+2
# Enthalpy of formation: -291.746 kcal/mol
-analytic -2.6793e+2 -4.2056e-2 9.7952e+3 1.0629e+2 1.6715e+2
# -Range: 25-150
Np+3 + HPO4-2 + H+ = NpH2PO4+2
-llnl_gamma 4.5
log_k 2.4
-delta_H 6.0874 kJ/mol # Calculated enthalpy of reaction NpH2PO4+2
# Enthalpy of formation: -433.34 kcal/mol
-analytic 6.0731e+3 1.4733e+0 -1.7919e+5 -2.388e+3 -3.0582e+3
# -Range: 25-150
Np+4 + HPO4-2 = NpHPO4+2
-llnl_gamma 4.5
log_k 12.9
-delta_H 7.54554 kJ/mol # Calculated enthalpy of reaction NpHPO4+2
# Enthalpy of formation: -439.899 kcal/mol
-analytic -7.2792e+3 -1.7476e+0 2.177e+5 2.8624e+3 3.7154e+3
# -Range: 25-150
2 HCO3- + NpO2+2 = NpO2(CO3)2-2 + 2 H+
-llnl_gamma 4
log_k -6.6576
-delta_H 57.2588 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)2-2
# Enthalpy of formation: -521.77 kcal/mol
-analytic 2.6597e+2 7.585e-2 -9.9987e+3 -1.0576e+2 -1.561e+2
# -Range: 0-300
2 HCO3- + NpO2+ = NpO2(CO3)2-3 + 2 H+
-llnl_gamma 4
log_k -13.6576
-delta_H 58.1553 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)2-3
# Enthalpy of formation: -549.642 kcal/mol
-analytic 2.6012e+2 7.3174e-2 -1.025e+4 -1.0556e+2 -1.6002e+2
# -Range: 0-300
3 HCO3- + NpO2+ = NpO2(CO3)3-5 + 3 H+
-llnl_gamma 4
log_k -22.4864
-delta_H 70.176 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)3-5
# Enthalpy of formation: -711.667 kcal/mol
-analytic 3.7433e+2 1.2938e-1 -1.2791e+4 -1.5861e+2 -1.997e+2
# -Range: 0-300
3 HCO3- + NpO2+2 = NpO2(CO3)3-4 + 3 H+
-llnl_gamma 4
log_k -10.5864
-delta_H 3.14711 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)3-4
# Enthalpy of formation: -699.601 kcal/mol
-analytic 3.7956e+2 1.1163e-1 -1.0607e+4 -1.5674e+2 -1.6562e+2
# -Range: 0-300
NpO2+ + HCO3- = NpO2CO3- + H+
-llnl_gamma 4
log_k -5.7288
-delta_H 69.1634 kJ/mol # Calculated enthalpy of reaction NpO2CO3-
# Enthalpy of formation: -382.113 kcal/mol
-analytic 1.4634e+2 2.6576e-2 -8.2036e+3 -5.3534e+1 -1.2805e+2
# -Range: 0-300
NpO2+ + Cl- = NpO2Cl
-llnl_gamma 3
log_k -0.4
-delta_H 15.4492 kJ/mol # Calculated enthalpy of reaction NpO2Cl
# Enthalpy of formation: -269.986 kcal/mol
-analytic 4.5109e+2 9.0437e-2 -1.5453e+4 -1.7241e+2 -2.6371e+2
# -Range: 25-150
NpO2+2 + Cl- = NpO2Cl+
-llnl_gamma 4
log_k -0.2
-delta_H 11.6239 kJ/mol # Calculated enthalpy of reaction NpO2Cl+
# Enthalpy of formation: -242.814 kcal/mol
-analytic -1.2276e+3 -2.5435e-1 3.8507e+4 4.7447e+2 6.5715e+2
# -Range: 25-150
NpO2+ + F- = NpO2F
-llnl_gamma 3
log_k 1
-delta_H 34.2521 kJ/mol # Calculated enthalpy of reaction NpO2F
# Enthalpy of formation: -305.709 kcal/mol
-analytic -1.9364e+2 -4.4083e-2 4.5602e+3 7.7791e+1 7.784e+1
# -Range: 25-150
NpO2+2 + F- = NpO2F+
-llnl_gamma 4
log_k 4.6
-delta_H 0.883568 kJ/mol # Calculated enthalpy of reaction NpO2F+
# Enthalpy of formation: -285.598 kcal/mol
-analytic 9.632e+2 2.4799e-1 -2.7614e+4 -3.7985e+2 -4.7128e+2
# -Range: 25-150
2 F- + NpO2+2 = NpO2F2
-llnl_gamma 3
log_k 7.8
-delta_H 2.60319 kJ/mol # Calculated enthalpy of reaction NpO2F2
# Enthalpy of formation: -365.337 kcal/mol
-analytic 1.9648e+2 6.4083e-2 -4.5601e+3 -7.779e+1 -7.784e+1
# -Range: 25-150
NpO2+ + HPO4-2 + H+ = NpO2H2PO4
-llnl_gamma 3
log_k 0.6
-delta_H 18.717 kJ/mol # Calculated enthalpy of reaction NpO2H2PO4
# Enthalpy of formation: -538.087 kcal/mol
-analytic 1.089e+3 2.7738e-1 -3.0654e+4 -4.3171e+2 -5.2317e+2
# -Range: 25-150
NpO2+2 + HPO4-2 + H+ = NpO2H2PO4+
-llnl_gamma 4
log_k 2.3
-delta_H 9.31014 kJ/mol # Calculated enthalpy of reaction NpO2H2PO4+
# Enthalpy of formation: -512.249 kcal/mol
-analytic -5.6996e+3 -1.4008e+0 1.6898e+5 2.2441e+3 2.8838e+3
# -Range: 25-150
NpO2+2 + HPO4-2 = NpO2HPO4
-llnl_gamma 3
log_k 8.2
-delta_H -6.47609 kJ/mol # Calculated enthalpy of reaction NpO2HPO4
# Enthalpy of formation: -516.022 kcal/mol
-analytic 4.8515e+3 1.2189e+0 -1.4069e+5 -1.9135e+3 -2.4011e+3
# -Range: 25-150
NpO2+ + HPO4-2 = NpO2HPO4-
-llnl_gamma 4
log_k 3.5
-delta_H 49.8668 kJ/mol # Calculated enthalpy of reaction NpO2HPO4-
# Enthalpy of formation: -530.642 kcal/mol
-analytic -4.1705e+3 -9.9302e-1 1.2287e+5 1.6399e+3 2.0969e+3
# -Range: 25-150
NpO2+ + H2O = NpO2OH + H+
-llnl_gamma 3
log_k -8.9
-delta_H 43.6285 kJ/mol # Calculated enthalpy of reaction NpO2OH
# Enthalpy of formation: -291.635 kcal/mol
-analytic -4.571e+2 -1.2286e-1 1.064e+4 1.8151e+2 1.8163e+2
# -Range: 25-150
NpO2+2 + H2O = NpO2OH+ + H+
-llnl_gamma 4
log_k -5.2
-delta_H 43.3805 kJ/mol # Calculated enthalpy of reaction NpO2OH+
# Enthalpy of formation: -263.608 kcal/mol
-analytic 1.7485e+2 4.0017e-2 -7.5154e+3 -6.7399e+1 -1.2823e+2
# -Range: 25-150
SO4-2 + NpO2+2 = NpO2SO4
-llnl_gamma 3
log_k 3.3
-delta_H 19.8789 kJ/mol # Calculated enthalpy of reaction NpO2SO4
# Enthalpy of formation: -418.308 kcal/mol
-analytic -1.5624e+2 7.3296e-3 6.7555e+3 5.4435e+1 1.1527e+2
# -Range: 25-150
SO4-2 + NpO2+ = NpO2SO4-
-llnl_gamma 4
log_k 0.4
-delta_H 19.1395 kJ/mol # Calculated enthalpy of reaction NpO2SO4-
# Enthalpy of formation: -446.571 kcal/mol
-analytic -3.1804e+2 -9.3472e-2 7.6002e+3 1.2965e+2 1.2973e+2
# -Range: 25-150
Np+3 + H2O = NpOH+2 + H+
-llnl_gamma 4.5
log_k -7
-delta_H 50.1031 kJ/mol # Calculated enthalpy of reaction NpOH+2
# Enthalpy of formation: -182.322 kcal/mol
-analytic 1.4062e+2 3.2671e-2 -6.7555e+3 -5.4435e+1 -1.1526e+2
# -Range: 25-150
Np+4 + H2O = NpOH+3 + H+
-llnl_gamma 5
log_k -1
-delta_H 51.0089 kJ/mol # Calculated enthalpy of reaction NpOH+3
# Enthalpy of formation: -189.013 kcal/mol
-analytic -1.8373e+2 -5.2443e-2 2.7025e+3 7.6503e+1 4.6154e+1
# -Range: 25-150
SO4-2 + Np+4 = NpSO4+2
-llnl_gamma 4.5
log_k 5.5
-delta_H 20.7377 kJ/mol # Calculated enthalpy of reaction NpSO4+2
# Enthalpy of formation: -345.331 kcal/mol
-analytic 3.9477e+2 1.1981e-1 -1.0978e+4 -1.5687e+2 -1.8736e+2
# -Range: 25-150
H2O = OH- + H+
-llnl_gamma 3.5
log_k -13.9951
-delta_H 55.8146 kJ/mol # Calculated enthalpy of reaction OH-
# Enthalpy of formation: -54.977 kcal/mol
-analytic -6.7506e+1 -3.0619e-2 -1.9901e+3 2.8004e+1 -3.1033e+1
# -Range: 0-300
2 HPO4-2 = P2O7-4 + H2O
-llnl_gamma 4
log_k -3.7463
-delta_H 27.2256 kJ/mol # Calculated enthalpy of reaction P2O7-4
# Enthalpy of formation: -2271.1 kJ/mol
-analytic 4.0885e+2 1.3243e-1 -1.1373e+4 -1.6727e+2 -1.7758e+2
# -Range: 0-300
3 H+ + HPO4-2 = PH4+ + 2 O2
-llnl_gamma 4
log_k -212.7409
-delta_H 0 # Not possible to calculate enthalpy of reaction PH4+
# Enthalpy of formation: -0 kcal/mol
HPO4-2 + H+ + F- = PO3F-2 + H2O
-llnl_gamma 4
log_k 7.1993
-delta_H 0 # Not possible to calculate enthalpy of reaction PO3F-2
# Enthalpy of formation: -0 kcal/mol
HPO4-2 = PO4-3 + H+
-llnl_gamma 4
log_k -12.3218
-delta_H 14.7068 kJ/mol # Calculated enthalpy of reaction PO4-3
# Enthalpy of formation: -305.3 kcal/mol
-analytic -7.617e+1 -3.3574e-2 1.3405e+2 2.9658e+1 2.114e+0
# -Range: 0-300
2 BrO3- + Pb+2 = Pb(BrO3)2
-llnl_gamma 3
log_k 5.1939
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(BrO3)2
# Enthalpy of formation: -0 kcal/mol
2 HAcetate + Pb+2 = Pb(Acetate)2 + 2 H+
-llnl_gamma 3
log_k -6.1133
-delta_H 10.5437 kJ/mol # Calculated enthalpy of reaction Pb(Acetate)2
# Enthalpy of formation: -229.46 kcal/mol
-analytic -1.7315e+1 -1.0618e-3 -3.6365e+3 6.9263e+0 5.8659e+5
# -Range: 0-300
3 HAcetate + Pb+2 = Pb(Acetate)3- + 3 H+
-llnl_gamma 4
log_k -8.972
-delta_H -2.84512 kJ/mol # Calculated enthalpy of reaction Pb(Acetate)3-
# Enthalpy of formation: -348.76 kcal/mol
-analytic 1.2417e+1 -3.1481e-3 -9.4152e+3 -1.6846e+0 1.3623e+6
# -Range: 0-300
2 HCO3- + Pb+2 = Pb(CO3)2-2 + 2 H+
-llnl_gamma 4
log_k -11.2576
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(CO3)2-2
# Enthalpy of formation: -0 kcal/mol
2 ClO3- + Pb+2 = Pb(ClO3)2
-llnl_gamma 3
log_k -0.5133
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(ClO3)2
# Enthalpy of formation: -0 kcal/mol
2 H2O + Pb+2 = Pb(OH)2 + 2 H+
-llnl_gamma 3
log_k -17.0902
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(OH)2
# Enthalpy of formation: -0 kcal/mol
3 H2O + Pb+2 = Pb(OH)3- + 3 H+
-llnl_gamma 4
log_k -28.0852
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(OH)3-
# Enthalpy of formation: -0 kcal/mol
2 Thiocyanate- + Pb+2 = Pb(Thiocyanate)2
-llnl_gamma 3
log_k 1.2455
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(Thiocyanate)2
# Enthalpy of formation: -0 kcal/mol
2 Pb+2 + H2O = Pb2OH+3 + H+
-llnl_gamma 5
log_k -6.3951
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb2OH+3
# Enthalpy of formation: -0 kcal/mol
4 H2O + 3 Pb+2 = Pb3(OH)4+2 + 4 H+
-llnl_gamma 4.5
log_k -23.8803
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb3(OH)4+2
# Enthalpy of formation: -0 kcal/mol
4 Pb+2 + 4 H2O = Pb4(OH)4+4 + 4 H+
-llnl_gamma 5.5
log_k -20.8803
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb4(OH)4+4
# Enthalpy of formation: -0 kcal/mol
8 H2O + 6 Pb+2 = Pb6(OH)8+4 + 8 H+
-llnl_gamma 5.5
log_k -43.5606
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb6(OH)8+4
# Enthalpy of formation: -0 kcal/mol
Pb+2 + Br- = PbBr+
-llnl_gamma 4
log_k 1.1831
-delta_H 0 # Not possible to calculate enthalpy of reaction PbBr+
# Enthalpy of formation: -0 kcal/mol
2 Br- + Pb+2 = PbBr2
-llnl_gamma 3
log_k 1.5062
-delta_H 0 # Not possible to calculate enthalpy of reaction PbBr2
# Enthalpy of formation: -0 kcal/mol
3 Br- + Pb+2 = PbBr3-
-llnl_gamma 4
log_k 1.2336
-delta_H 0 # Not possible to calculate enthalpy of reaction PbBr3-
# Enthalpy of formation: -0 kcal/mol
Pb+2 + BrO3- = PbBrO3+
-llnl_gamma 4
log_k 1.9373
-delta_H 0 # Not possible to calculate enthalpy of reaction PbBrO3+
# Enthalpy of formation: -0 kcal/mol
Pb+2 + HAcetate = PbAcetate+ + H+
-llnl_gamma 4
log_k -2.3603
-delta_H -2.33147e-15 kJ/mol # Calculated enthalpy of reaction PbAcetate+
# Enthalpy of formation: -115.88 kcal/mol
-analytic -2.6822e+1 1.0992e-3 7.3688e+2 8.4407e+0 7.0266e+4
# -Range: 0-300
Pb+2 + HCO3- = PbCO3 + H+
-llnl_gamma 3
log_k -3.7488
-delta_H 0 # Not possible to calculate enthalpy of reaction PbCO3
# Enthalpy of formation: -0 kcal/mol
Pb+2 + Cl- = PbCl+
-llnl_gamma 4
log_k 1.4374
-delta_H 4.53127 kJ/mol # Calculated enthalpy of reaction PbCl+
# Enthalpy of formation: -38.63 kcal/mol
-analytic 1.1948e+2 4.3527e-2 -2.7666e+3 -4.919e+1 -4.3206e+1
# -Range: 0-300
2 Cl- + Pb+2 = PbCl2
-llnl_gamma 3
log_k 2.0026
-delta_H 8.14206 kJ/mol # Calculated enthalpy of reaction PbCl2
# Enthalpy of formation: -77.7 kcal/mol
-analytic 2.2537e+2 7.7574e-2 -5.5112e+3 -9.2131e+1 -8.6064e+1
# -Range: 0-300
3 Cl- + Pb+2 = PbCl3-
-llnl_gamma 4
log_k 1.6881
-delta_H 7.86174 kJ/mol # Calculated enthalpy of reaction PbCl3-
# Enthalpy of formation: -117.7 kcal/mol
-analytic 2.5254e+2 8.9159e-2 -6.0116e+3 -1.0395e+2 -9.388e+1
# -Range: 0-300
4 Cl- + Pb+2 = PbCl4-2
-llnl_gamma 4
log_k 1.4909
-delta_H -7.18811 kJ/mol # Calculated enthalpy of reaction PbCl4-2
# Enthalpy of formation: -161.23 kcal/mol
-analytic 1.4048e+2 7.6332e-2 -1.1507e+3 -6.3786e+1 -1.7997e+1
# -Range: 0-300
Pb+2 + ClO3- = PbClO3+
-llnl_gamma 4
log_k -0.2208
-delta_H 0 # Not possible to calculate enthalpy of reaction PbClO3+
# Enthalpy of formation: -0 kcal/mol
Pb+2 + F- = PbF+
-llnl_gamma 4
log_k 0.8284
-delta_H 0 # Not possible to calculate enthalpy of reaction PbF+
# Enthalpy of formation: -0 kcal/mol
2 F- + Pb+2 = PbF2
-llnl_gamma 3
log_k 1.6132
-delta_H 0 # Not possible to calculate enthalpy of reaction PbF2
# Enthalpy of formation: -0 kcal/mol
Pb+2 + HPO4-2 + H+ = PbH2PO4+
-llnl_gamma 4
log_k 1.5
-delta_H 0 # Not possible to calculate enthalpy of reaction PbH2PO4+
# Enthalpy of formation: -0 kcal/mol
Pb+2 + HPO4-2 = PbHPO4
-llnl_gamma 3
log_k 3.1
-delta_H 0 # Not possible to calculate enthalpy of reaction PbHPO4
# Enthalpy of formation: -0 kcal/mol
Pb+2 + I- = PbI+
-llnl_gamma 4
log_k 1.9597
-delta_H 0 # Not possible to calculate enthalpy of reaction PbI+
# Enthalpy of formation: -0 kcal/mol
2 I- + Pb+2 = PbI2
-llnl_gamma 3
log_k 2.7615
-delta_H 0 # Not possible to calculate enthalpy of reaction PbI2
# Enthalpy of formation: -0 kcal/mol
3 I- + Pb+2 = PbI3-
-llnl_gamma 4
log_k 3.3355
-delta_H 0 # Not possible to calculate enthalpy of reaction PbI3-
# Enthalpy of formation: -0 kcal/mol
4 I- + Pb+2 = PbI4-2
-llnl_gamma 4
log_k 4.0672
-delta_H 0 # Not possible to calculate enthalpy of reaction PbI4-2
# Enthalpy of formation: -0 kcal/mol
Pb+2 + NO3- = PbNO3+
-llnl_gamma 4
log_k 1.2271
-delta_H 0 # Not possible to calculate enthalpy of reaction PbNO3+
# Enthalpy of formation: -0 kcal/mol
Pb+2 + H2O = PbOH+ + H+
-llnl_gamma 4
log_k -7.6951
-delta_H 0 # Not possible to calculate enthalpy of reaction PbOH+
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Pb+2 = PbP2O7-2 + H2O
-llnl_gamma 4
log_k 7.4136
-delta_H 0 # Not possible to calculate enthalpy of reaction PbP2O7-2
# Enthalpy of formation: -0 kcal/mol
Thiocyanate- + Pb+2 = PbThiocyanate+
-llnl_gamma 4
log_k 0.9827
-delta_H 0 # Not possible to calculate enthalpy of reaction PbThiocyanate+
# Enthalpy of formation: -0 kcal/mol
Pd+2 + Cl- = PdCl+
-llnl_gamma 4
log_k 6.0993
-delta_H -31.995 kJ/mol # Calculated enthalpy of reaction PdCl+
# Enthalpy of formation: -5.5 kcal/mol
-analytic 7.2852e+1 3.6886e-2 7.3102e+2 -3.2402e+1 1.1385e+1
# -Range: 0-300
2 Cl- + Pd+2 = PdCl2
-llnl_gamma 3
log_k 10.7327
-delta_H -66.1658 kJ/mol # Calculated enthalpy of reaction PdCl2
# Enthalpy of formation: -53.6 kcal/mol
-analytic 1.6849e+2 7.9321e-2 8.2874e+2 -7.4416e+1 1.2882e+1
# -Range: 0-300
3 Cl- + Pd+2 = PdCl3-
-llnl_gamma 4
log_k 13.0937
-delta_H -101.592 kJ/mol # Calculated enthalpy of reaction PdCl3-
# Enthalpy of formation: -102 kcal/mol
-analytic 4.5978e+1 6.2999e-2 6.9333e+3 -3.0257e+1 1.0817e+2
# -Range: 0-300
4 Cl- + Pd+2 = PdCl4-2
-llnl_gamma 4
log_k 15.1615
-delta_H -152.08 kJ/mol # Calculated enthalpy of reaction PdCl4-2
# Enthalpy of formation: -154 kcal/mol
-analytic -3.2209e+1 5.3432e-2 1.218e+4 -3.7814e+0 1.9006e+2
# -Range: 0-300
Pd+2 + H2O = PdO + 2 H+
-llnl_gamma 3
log_k -2.19
-delta_H 6.43081 kJ/mol # Calculated enthalpy of reaction PdO
# Enthalpy of formation: -24.7 kcal/mol
-analytic 1.3587e+2 2.9292e-2 -4.6645e+3 -5.2997e+1 -7.2825e+1
# -Range: 0-300
Pd+2 + H2O = PdOH+ + H+
-llnl_gamma 4
log_k -1.0905
-delta_H -3.19239 kJ/mol # Calculated enthalpy of reaction PdOH+
# Enthalpy of formation: -27 kcal/mol
-analytic 1.4291e+1 5.8382e-3 -1.9881e+2 -6.6475e+0 -3.1065e+0
# -Range: 0-300
2 HCO3- + Pm+3 = Pm(CO3)2- + 2 H+
-llnl_gamma 4
log_k -7.9576
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Pm+3 = Pm(HPO4)2-
-llnl_gamma 4
log_k 9.2
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2 H2O + Pm+3 = Pm(OH)2+ + 2 H+
-llnl_gamma 4
log_k -16.7902
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)2+
# Enthalpy of formation: -0 kcal/mol
3 H2O + Pm+3 = Pm(OH)3 + 3 H+
-llnl_gamma 3
log_k -26.1852
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Pm+3 = Pm(PO4)2-3 + 2 H+
-llnl_gamma 4
log_k -4.6837
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Pm+3 = Pm(SO4)2-
-llnl_gamma 4
log_k 5.2
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(SO4)2-
# Enthalpy of formation: -0 kcal/mol
Pm+3 + HCO3- = PmCO3+ + H+
-llnl_gamma 4
log_k -2.6288
-delta_H 0 # Not possible to calculate enthalpy of reaction PmCO3+
# Enthalpy of formation: -0 kcal/mol
Pm+3 + Cl- = PmCl+2
-llnl_gamma 4.5
log_k 0.34
-delta_H 0 # Not possible to calculate enthalpy of reaction PmCl+2
# Enthalpy of formation: -0 kcal/mol
Pm+3 + F- = PmF+2
-llnl_gamma 4.5
log_k 3.8
-delta_H 0 # Not possible to calculate enthalpy of reaction PmF+2
# Enthalpy of formation: -0 kcal/mol
Pm+3 + HPO4-2 + H+ = PmH2PO4+2
-llnl_gamma 4.5
log_k 9.6054
-delta_H 0 # Not possible to calculate enthalpy of reaction PmH2PO4+2
# Enthalpy of formation: -0 kcal/mol
Pm+3 + HCO3- = PmHCO3+2
-llnl_gamma 4.5
log_k 2.1
-delta_H 0 # Not possible to calculate enthalpy of reaction PmHCO3+2
# Enthalpy of formation: -0 kcal/mol
Pm+3 + HPO4-2 = PmHPO4+
-llnl_gamma 4
log_k 5.5
-delta_H 0 # Not possible to calculate enthalpy of reaction PmHPO4+
# Enthalpy of formation: -0 kcal/mol
Pm+3 + NO3- = PmNO3+2
-llnl_gamma 4.5
log_k 1.1
-delta_H 0 # Not possible to calculate enthalpy of reaction PmNO3+2
# Enthalpy of formation: -0 kcal/mol
Pm+3 + H2O = PmOH+2 + H+
-llnl_gamma 4.5
log_k -7.9951
-delta_H 0 # Not possible to calculate enthalpy of reaction PmOH+2
# Enthalpy of formation: -0 kcal/mol
Pm+3 + HPO4-2 = PmPO4 + H+
-llnl_gamma 3
log_k -0.3718
-delta_H 0 # Not possible to calculate enthalpy of reaction PmPO4
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Pm+3 = PmSO4+
-llnl_gamma 4
log_k 3.5
-delta_H 0 # Not possible to calculate enthalpy of reaction PmSO4+
# Enthalpy of formation: -0 kcal/mol
2 HAcetate + Pr+3 = Pr(Acetate)2+ + 2 H+
-llnl_gamma 4
log_k -4.8525
-delta_H -23.8906 kJ/mol # Calculated enthalpy of reaction Pr(Acetate)2+
# Enthalpy of formation: -406.71 kcal/mol
-analytic -1.6464e+1 6.2989e-4 -4.4771e+2 3.6947e+0 3.3816e+5
# -Range: 0-300
3 HAcetate + Pr+3 = Pr(Acetate)3 + 3 H+
-llnl_gamma 3
log_k -8.2023
-delta_H -40.3756 kJ/mol # Calculated enthalpy of reaction Pr(Acetate)3
# Enthalpy of formation: -526.75 kcal/mol
-analytic -1.2007e+1 4.9332e-4 0e+0 0e+0 3.2789e+5
# -Range: 0-300
2 HCO3- + Pr+3 = Pr(CO3)2- + 2 H+
-llnl_gamma 4
log_k -8.1076
-delta_H 0 # Not possible to calculate enthalpy of reaction Pr(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Pr+3 = Pr(HPO4)2-
-llnl_gamma 4
log_k 8.9
-delta_H 0 # Not possible to calculate enthalpy of reaction Pr(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Pr+3 = Pr(PO4)2-3 + 2 H+
-llnl_gamma 4
log_k -5.5637
-delta_H 0 # Not possible to calculate enthalpy of reaction Pr(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Pr+3 = Pr(SO4)2-
-llnl_gamma 4
log_k 4.9
-delta_H 0 # Not possible to calculate enthalpy of reaction Pr(SO4)2-
# Enthalpy of formation: -0 kcal/mol
Pr+3 + HAcetate = PrAcetate+2 + H+
-llnl_gamma 4.5
log_k -2.0451
-delta_H -12.4683 kJ/mol # Calculated enthalpy of reaction PrAcetate+2
# Enthalpy of formation: -287.88 kcal/mol
-analytic -8.5624e+0 9.3878e-4 -5.7551e+2 2.2087e+0 2.4126e+5
# -Range: 0-300
Pr+3 + HCO3- = PrCO3+ + H+
-llnl_gamma 4
log_k -2.7722
-delta_H 92.458 kJ/mol # Calculated enthalpy of reaction PrCO3+
# Enthalpy of formation: -311.6 kcal/mol
-analytic 2.2079e+2 5.2156e-2 -6.5821e+3 -8.7701e+1 -1.0277e+2
# -Range: 0-300
Pr+3 + Cl- = PrCl+2
-llnl_gamma 4.5
log_k 0.3086
-delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction PrCl+2
# Enthalpy of formation: -205.3 kcal/mol
-analytic 7.5152e+1 3.7446e-2 -1.6661e+3 -3.249e+1 -2.602e+1
# -Range: 0-300
2 Cl- + Pr+3 = PrCl2+
-llnl_gamma 4
log_k 0.0308
-delta_H 20.3593 kJ/mol # Calculated enthalpy of reaction PrCl2+
# Enthalpy of formation: -243.8 kcal/mol
-analytic 2.2848e+2 8.125e-2 -6.0401e+3 -9.3909e+1 -9.4318e+1
# -Range: 0-300
3 Cl- + Pr+3 = PrCl3
-llnl_gamma 3
log_k -0.3203
-delta_H 14.2214 kJ/mol # Calculated enthalpy of reaction PrCl3
# Enthalpy of formation: -285.2 kcal/mol
-analytic 4.5016e+2 1.3095e-1 -1.2588e+4 -1.8075e+2 -1.9656e+2
# -Range: 0-300
4 Cl- + Pr+3 = PrCl4-
-llnl_gamma 4
log_k -0.7447
-delta_H -4.05011 kJ/mol # Calculated enthalpy of reaction PrCl4-
# Enthalpy of formation: -329.5 kcal/mol
-analytic 5.4245e+2 1.3647e-1 -1.5564e+4 -2.1485e+2 -2.4302e+2
# -Range: 0-300
Pr+3 + F- = PrF+2
-llnl_gamma 4.5
log_k 4.2221
-delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction PrF+2
# Enthalpy of formation: -243.4 kcal/mol
-analytic 9.5146e+1 4.1115e-2 -2.5463e+3 -3.8236e+1 -3.976e+1
# -Range: 0-300
2 F- + Pr+3 = PrF2+
-llnl_gamma 4
log_k 7.3447
-delta_H 14.644 kJ/mol # Calculated enthalpy of reaction PrF2+
# Enthalpy of formation: -325.6 kcal/mol
-analytic 2.4997e+2 8.5251e-2 -6.1908e+3 -9.9912e+1 -9.6675e+1
# -Range: 0-300
3 F- + Pr+3 = PrF3
-llnl_gamma 3
log_k 9.661
-delta_H -6.4852 kJ/mol # Calculated enthalpy of reaction PrF3
# Enthalpy of formation: -410.8 kcal/mol
-analytic 4.7885e+2 1.3764e-1 -1.208e+4 -1.898e+2 -1.8864e+2
# -Range: 0-300
4 F- + Pr+3 = PrF4-
-llnl_gamma 4
log_k 11.5375
-delta_H -47.2792 kJ/mol # Calculated enthalpy of reaction PrF4-
# Enthalpy of formation: -500.7 kcal/mol
-analytic 5.5774e+2 1.4067e-1 -1.3523e+4 -2.1933e+2 -2.1118e+2
# -Range: 0-300
Pr+3 + HPO4-2 + H+ = PrH2PO4+2
-llnl_gamma 4.5
log_k 9.595
-delta_H -16.2548 kJ/mol # Calculated enthalpy of reaction PrH2PO4+2
# Enthalpy of formation: -481.5 kcal/mol
-analytic 1.0501e+2 6.3059e-2 3.8161e+2 -4.6656e+1 5.9234e+0
# -Range: 0-300
Pr+3 + HCO3- = PrHCO3+2
-llnl_gamma 4.5
log_k 1.919
-delta_H -12.9788 kJ/mol # Calculated enthalpy of reaction PrHCO3+2
# Enthalpy of formation: -336.8 kcal/mol
-analytic 2.201e+1 2.8541e-2 1.4574e+3 -1.3522e+1 2.2734e+1
# -Range: 0-300
Pr+3 + HPO4-2 = PrHPO4+
-llnl_gamma 4
log_k 5.4
-delta_H 0 # Not possible to calculate enthalpy of reaction PrHPO4+
# Enthalpy of formation: -0 kcal/mol
Pr+3 + NO3- = PrNO3+2
-llnl_gamma 4.5
log_k 0.6546
-delta_H -27.9115 kJ/mol # Calculated enthalpy of reaction PrNO3+2
# Enthalpy of formation: -224.9 kcal/mol
-analytic 1.4297e+1 2.5214e-2 2.1756e+3 -1.149e+1 3.3943e+1
# -Range: 0-300
Pr+3 + H2O = PrO+ + 2 H+
-llnl_gamma 4
log_k -17.29
-delta_H 117.642 kJ/mol # Calculated enthalpy of reaction PrO+
# Enthalpy of formation: -209 kcal/mol
-analytic 1.7927e+2 2.9467e-2 -1.3815e+4 -6.4259e+1 -2.1562e+2
# -Range: 0-300
2 H2O + Pr+3 = PrO2- + 4 H+
-llnl_gamma 4
log_k -37.5852
-delta_H 301.39 kJ/mol # Calculated enthalpy of reaction PrO2-
# Enthalpy of formation: -233.4 kcal/mol
-analytic -4.448e+1 -1.6327e-2 -7.9031e+3 1.9348e+1 -8.544e+5
# -Range: 0-300
2 H2O + Pr+3 = PrO2H + 3 H+
-llnl_gamma 3
log_k -26.5901
-delta_H 231.517 kJ/mol # Calculated enthalpy of reaction PrO2H
# Enthalpy of formation: -250.1 kcal/mol
-analytic 3.393e+2 4.4894e-2 -2.3769e+4 -1.2106e+2 -3.7099e+2
# -Range: 0-300
Pr+3 + H2O = PrOH+2 + H+
-llnl_gamma 4.5
log_k -8.274
-delta_H 81.2407 kJ/mol # Calculated enthalpy of reaction PrOH+2
# Enthalpy of formation: -217.7 kcal/mol
-analytic 5.6599e+1 1.1073e-2 -5.9197e+3 -1.9525e+1 -9.2388e+1
# -Range: 0-300
Pr+3 + HPO4-2 = PrPO4 + H+
-llnl_gamma 3
log_k -0.7218
-delta_H 0 # Not possible to calculate enthalpy of reaction PrPO4
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Pr+3 = PrSO4+
-llnl_gamma 4
log_k -3.687
-delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction PrSO4+
# Enthalpy of formation: -381.5 kcal/mol
-analytic 2.9156e+2 8.4671e-2 -1.0638e+4 -1.1509e+2 -1.6608e+2
# -Range: 0-300
2 HPO4-2 + Pu+4 = Pu(HPO4)2
-llnl_gamma 3
log_k 23.8483
-delta_H 25.9279 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)2
# Enthalpy of formation: -3094.13 kJ/mol
-analytic 9.2387e+2 3.2577e-1 -2.0881e+4 -3.7466e+2 -3.5492e+2
# -Range: 0-200
3 HPO4-2 + Pu+4 = Pu(HPO4)3-2
-llnl_gamma 4
log_k 33.4599
-delta_H -6.49412 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)3-2
# Enthalpy of formation: -4418.63 kJ/mol
-analytic 6.4515e+2 2.3011e-1 -1.2752e+4 -2.5761e+2 -1.9917e+2
# -Range: 0-300
4 HPO4-2 + Pu+4 = Pu(HPO4)4-4
-llnl_gamma 4
log_k 43.2467
-delta_H -77.4832 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)4-4
# Enthalpy of formation: -5781.7 kJ/mol
-analytic 8.5301e+2 3.073e-1 -1.3644e+4 -3.4573e+2 -2.1316e+2
# -Range: 0-300
2 H2O + Pu+4 = Pu(OH)2+2 + 2 H+
-llnl_gamma 4.5
log_k -2.3235
-delta_H 74.3477 kJ/mol # Calculated enthalpy of reaction Pu(OH)2+2
# Enthalpy of formation: -1033.22 kJ/mol
-analytic 7.5979e+1 6.8394e-3 -6.371e+3 -2.3833e+1 -9.9435e+1
# -Range: 0-300
3 H2O + Pu+4 = Pu(OH)3+ + 3 H+
-llnl_gamma 4
log_k -5.281
-delta_H 96.578 kJ/mol # Calculated enthalpy of reaction Pu(OH)3+
# Enthalpy of formation: -1296.83 kJ/mol
-analytic 1.0874e+2 1.4199e-2 -8.4954e+3 -3.6278e+1 -1.3259e+2
# -Range: 0-300
4 H2O + Pu+4 = Pu(OH)4 + 4 H+
-llnl_gamma 3
log_k -9.5174
-delta_H 109.113 kJ/mol # Calculated enthalpy of reaction Pu(OH)4
# Enthalpy of formation: -1570.13 kJ/mol
-analytic 2.7913e+2 1.0252e-1 -1.1289e+4 -1.1369e+2 -1.9181e+2
# -Range: 0-200
2 SO4-2 + Pu+4 = Pu(SO4)2
-llnl_gamma 3
log_k 10.2456
-delta_H 41.0122 kJ/mol # Calculated enthalpy of reaction Pu(SO4)2
# Enthalpy of formation: -2314.08 kJ/mol
-analytic 5.3705e+2 1.9308e-1 -1.3213e+4 -2.1824e+2 -2.2457e+2
# -Range: 0-200
2 SO4-2 + Pu+3 = Pu(SO4)2-
-llnl_gamma 4
log_k 6.32
-delta_H 0 # Not possible to calculate enthalpy of reaction Pu(SO4)2-
# Enthalpy of formation: -0 kcal/mol
Pu+4 + F- = PuF+3
-llnl_gamma 5
log_k 8.46
-delta_H 0 # Not possible to calculate enthalpy of reaction PuF+3
# Enthalpy of formation: -0 kcal/mol
2 F- + Pu+4 = PuF2+2
-llnl_gamma 4.5
log_k 15.4
-delta_H 0 # Not possible to calculate enthalpy of reaction PuF2+2
# Enthalpy of formation: -0 kcal/mol
3 F- + Pu+4 = PuF3+
-llnl_gamma 4
log_k 5.3
-delta_H 0 # Not possible to calculate enthalpy of reaction PuF3+
# Enthalpy of formation: -0 kcal/mol
4 F- + Pu+4 = PuF4
-llnl_gamma 3
log_k 4.2
-delta_H 0 # Not possible to calculate enthalpy of reaction PuF4
# Enthalpy of formation: -0 kcal/mol
Pu+3 + HPO4-2 + H+ = PuH2PO4+2
-llnl_gamma 4.5
log_k 9.6817
-delta_H 28.597 kJ/mol # Calculated enthalpy of reaction PuH2PO4+2
# Enthalpy of formation: -1855.04 kJ/mol
-analytic 2.1595e+2 6.4502e-2 -6.4723e+3 -8.2341e+1 -1.0106e+2
# -Range: 0-300
Pu+4 + HPO4-2 = PuHPO4+2
-llnl_gamma 4.5
log_k 13.0103
-delta_H 40.306 kJ/mol # Calculated enthalpy of reaction PuHPO4+2
# Enthalpy of formation: -1787.67 kJ/mol
-analytic 2.2662e+2 7.1073e-2 -6.9134e+3 -8.5504e+1 -1.0794e+2
# -Range: 0-300
2 HCO3- + PuO2+2 = PuO2(CO3)2-2 + 2 H+
-llnl_gamma 4
log_k -5.7428
-delta_H 52.3345 kJ/mol # Calculated enthalpy of reaction PuO2(CO3)2-2
# Enthalpy of formation: -2149.11 kJ/mol
-analytic 2.6589e+2 7.6132e-2 -9.7187e+3 -1.0577e+2 -1.5173e+2
# -Range: 0-300
PuO2+2 + Cl- = PuO2Cl+
-llnl_gamma 4
log_k -0.2084
-delta_H 11.6127 kJ/mol # Calculated enthalpy of reaction PuO2Cl+
# Enthalpy of formation: -977.045 kJ/mol
-analytic 9.8385e+1 3.8617e-2 -2.521e+3 -4.1075e+1 -3.9367e+1
# -Range: 0-300
PuO2+2 + F- = PuO2F+
-llnl_gamma 4
log_k 5.6674
-delta_H -5.2094 kJ/mol # Calculated enthalpy of reaction PuO2F+
# Enthalpy of formation: -1162.13 kJ/mol
-analytic 1.1412e+2 4.1224e-2 -2.0503e+3 -4.6009e+1 -3.2027e+1
# -Range: 0-300
2 F- + PuO2+2 = PuO2F2
-llnl_gamma 3
log_k 10.9669
-delta_H -15.4738 kJ/mol # Calculated enthalpy of reaction PuO2F2
# Enthalpy of formation: -1507.75 kJ/mol
-analytic 2.5502e+2 9.1597e-2 -4.4557e+3 -1.0362e+2 -7.5752e+1
# -Range: 0-200
3 F- + PuO2+2 = PuO2F3-
-llnl_gamma 4
log_k 15.916
-delta_H -29.4032 kJ/mol # Calculated enthalpy of reaction PuO2F3-
# Enthalpy of formation: -1857.02 kJ/mol
-analytic 3.6102e+2 8.6364e-2 -8.7129e+3 -1.3805e+2 -1.3606e+2
# -Range: 0-300
4 F- + PuO2+2 = PuO2F4-2
-llnl_gamma 4
log_k 18.7628
-delta_H -39.9786 kJ/mol # Calculated enthalpy of reaction PuO2F4-2
# Enthalpy of formation: -2202.95 kJ/mol
-analytic 4.6913e+2 1.3649e-1 -9.8336e+3 -1.851e+2 -1.5358e+2
# -Range: 0-300
PuO2+2 + HPO4-2 + H+ = PuO2H2PO4+
-llnl_gamma 4
log_k 11.2059
-delta_H -6.63904 kJ/mol # Calculated enthalpy of reaction PuO2H2PO4+
# Enthalpy of formation: -2120.3 kJ/mol
-analytic 2.1053e+2 6.8671e-2 -4.339e+3 -8.293e+1 -6.7768e+1
# -Range: 0-300
PuO2+ + H2O = PuO2OH + H+
-llnl_gamma 3
log_k -9.6674
-delta_H 69.1763 kJ/mol # Calculated enthalpy of reaction PuO2OH
# Enthalpy of formation: -1130.85 kJ/mol
-analytic 7.108e+1 2.6141e-2 -5.0337e+3 -2.8956e+1 -8.5504e+1
# -Range: 0-200
PuO2+2 + H2O = PuO2OH+ + H+
-llnl_gamma 4
log_k -5.6379
-delta_H 45.2823 kJ/mol # Calculated enthalpy of reaction PuO2OH+
# Enthalpy of formation: -1062.13 kJ/mol
-analytic -3.9012e+0 1.1645e-3 -1.1299e+3 1.3419e+0 -1.4364e+5
# -Range: 0-300
SO4-2 + PuO2+2 = PuO2SO4
-llnl_gamma 3
log_k 3.2658
-delta_H 20.0746 kJ/mol # Calculated enthalpy of reaction PuO2SO4
# Enthalpy of formation: -1711.11 kJ/mol
-analytic 2.0363e+2 7.3903e-2 -5.194e+3 -8.2833e+1 -8.8273e+1
# -Range: 0-200
Pu+3 + H2O = PuOH+2 + H+
-llnl_gamma 4.5
log_k -7.968
-delta_H 53.5143 kJ/mol # Calculated enthalpy of reaction PuOH+2
# Enthalpy of formation: -823.876 kJ/mol
-analytic 3.0065e+0 3.0278e-3 -1.9675e+3 -1.61e+0 -1.1524e+5
# -Range: 0-300
Pu+4 + H2O = PuOH+3 + H+
-llnl_gamma 5
log_k -0.5048
-delta_H 48.1823 kJ/mol # Calculated enthalpy of reaction PuOH+3
# Enthalpy of formation: -773.549 kJ/mol
-analytic 4.1056e+1 1.1119e-3 -3.9252e+3 -1.1609e+1 -6.126e+1
# -Range: 0-300
SO4-2 + Pu+3 = PuSO4+
-llnl_gamma 4
log_k 3.4935
-delta_H 14.6006 kJ/mol # Calculated enthalpy of reaction PuSO4+
# Enthalpy of formation: -1486.55 kJ/mol
-analytic 1.9194e+2 7.7154e-2 -4.2751e+3 -7.9646e+1 -6.6765e+1
# -Range: 0-300
SO4-2 + Pu+4 = PuSO4+2
-llnl_gamma 4.5
log_k 5.771
-delta_H 12.3336 kJ/mol # Calculated enthalpy of reaction PuSO4+2
# Enthalpy of formation: -1433.16 kJ/mol
-analytic 1.9418e+2 7.5477e-2 -4.2767e+3 -7.9425e+1 -6.6792e+1
# -Range: 0-300
2 HAcetate + Ra+2 = Ra(Acetate)2 + 2 H+
-llnl_gamma 3
log_k -7.9018
-delta_H 21.0874 kJ/mol # Calculated enthalpy of reaction Ra(Acetate)2
# Enthalpy of formation: -353.26 kcal/mol
-analytic 2.2767e+1 3.1254e-3 -6.4558e+3 -7.2253e+0 7.0689e+5
# -Range: 0-300
Ra+2 + HAcetate = RaAcetate+ + H+
-llnl_gamma 4
log_k -3.709
-delta_H 11.7989 kJ/mol # Calculated enthalpy of reaction RaAcetate+
# Enthalpy of formation: -239.38 kcal/mol
-analytic -1.8268e+1 2.9956e-3 1.9313e+1 5.2767e+0 4.9771e+4
# -Range: 0-300
2 HAcetate + Rb+ = Rb(Acetate)2- + 2 H+
-llnl_gamma 4
log_k -9.7636
-delta_H -1.12968 kJ/mol # Calculated enthalpy of reaction Rb(Acetate)2-
# Enthalpy of formation: -292.49 kcal/mol
-analytic -1.9198e+2 -4.2101e-2 5.5792e+3 7.1152e+1 8.7114e+1
# -Range: 0-300
Rb+ + Br- = RbBr
-llnl_gamma 3
log_k -1.2168
-delta_H 13.9327 kJ/mol # Calculated enthalpy of reaction RbBr
# Enthalpy of formation: -85.73 kcal/mol
-analytic 1.2054e+2 3.3825e-2 -3.95e+3 -4.792e+1 -6.1671e+1
# -Range: 0-300
Rb+ + HAcetate = RbAcetate + H+
-llnl_gamma 3
log_k -4.7279
-delta_H 4.89528 kJ/mol # Calculated enthalpy of reaction RbAcetate
# Enthalpy of formation: -174.95 kcal/mol
-analytic 1.5661e+1 -2.423e-3 -2.528e+3 -5.4433e+0 2.0344e+5
# -Range: 0-300
Rb+ + Cl- = RbCl
-llnl_gamma 3
log_k -0.9595
-delta_H 13.1922 kJ/mol # Calculated enthalpy of reaction RbCl
# Enthalpy of formation: -96.8 kcal/mol
-analytic 1.2689e+2 3.5557e-2 -4.0822e+3 -5.0412e+1 -6.3736e+1
# -Range: 0-300
Rb+ + F- = RbF
-llnl_gamma 3
log_k 0.9602
-delta_H 1.92464 kJ/mol # Calculated enthalpy of reaction RbF
# Enthalpy of formation: -139.71 kcal/mol
-analytic 1.3893e+2 3.8188e-2 -3.8677e+3 -5.5109e+1 -6.0393e+1
# -Range: 0-300
Rb+ + I- = RbI
-llnl_gamma 3
log_k -0.8136
-delta_H 7.1128 kJ/mol # Calculated enthalpy of reaction RbI
# Enthalpy of formation: -71.92 kcal/mol
-analytic 1.1486e+2 3.3121e-2 -3.4217e+3 -4.6096e+1 -5.3426e+1
# -Range: 0-300
2 Cl- + Ru+3 = Ru(Cl)2+
-llnl_gamma 4
log_k 3.7527
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(Cl)2+
# Enthalpy of formation: -0 kcal/mol
3 Cl- + Ru+3 = Ru(Cl)3
-llnl_gamma 3
log_k 4.2976
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(Cl)3
# Enthalpy of formation: -0 kcal/mol
2 H2O + Ru+3 = Ru(OH)2+ + 2 H+
-llnl_gamma 4
log_k -3.5148
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2+
# Enthalpy of formation: -0 kcal/mol
Ru(OH)2+2 + Cl- = Ru(OH)2Cl+
-llnl_gamma 4
log_k 1.3858
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl+
# Enthalpy of formation: -0 kcal/mol
2 Cl- + Ru(OH)2+2 = Ru(OH)2Cl2
-llnl_gamma 3
log_k 1.8081
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl2
# Enthalpy of formation: -0 kcal/mol
3 Cl- + Ru(OH)2+2 = Ru(OH)2Cl3-
-llnl_gamma 4
log_k 1.6172
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl3-
# Enthalpy of formation: -0 kcal/mol
4 Cl- + Ru(OH)2+2 = Ru(OH)2Cl4-2
-llnl_gamma 4
log_k 2.7052
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl4-2
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Ru(OH)2+2 = Ru(OH)2SO4
-llnl_gamma 3
log_k 1.7941
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2SO4
# Enthalpy of formation: -0 kcal/mol
#3.0000 H2O + 1.0000 Ru++ + 0.5000 O2 = Ru(OH)4 +2.0000 H+
# Ru(OH)2++ +1.0000 H2O +0.5000 O2 = 4.0000 H+ + 1.0000 RuO4-- log_k -25.2470
# 4.0000 H+ + 1.0000 RuO4-- = Ru++ +2.0000 H2O +1.0000 O2 log_k +0.1610
#1 + 2 + 3
2 H2O + Ru(OH)2+2 = Ru(OH)4 + 2 H+
-llnl_gamma 3
# log_k +18.0322
log_k -7.0538
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)4
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Ru+3 = Ru(SO4)2-
-llnl_gamma 4
log_k 3.0627
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(SO4)2-
# Enthalpy of formation: -0 kcal/mol
4 Ru(OH)2+2 + 4 H2O = Ru4(OH)12+4 + 4 H+
-llnl_gamma 5.5
log_k 7.196
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru4(OH)12+4
# Enthalpy of formation: -0 kcal/mol
Ru+2 + Cl- = RuCl+
-llnl_gamma 4
log_k -0.4887
-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl+
# Enthalpy of formation: -0 kcal/mol
Ru+3 + Cl- = RuCl+2
-llnl_gamma 4.5
log_k 2.1742
-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl+2
# Enthalpy of formation: -0 kcal/mol
4 Cl- + Ru+3 = RuCl4-
-llnl_gamma 4
log_k 4.1418
-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl4-
# Enthalpy of formation: -0 kcal/mol
5 Cl- + Ru+3 = RuCl5-2
-llnl_gamma 4
log_k 3.8457
-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl5-2
# Enthalpy of formation: -0 kcal/mol
6 Cl- + Ru+3 = RuCl6-3
-llnl_gamma 4
log_k 3.4446
-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl6-3
# Enthalpy of formation: -0 kcal/mol
Ru+3 + H2O = RuOH+2 + H+
-llnl_gamma 4.5
log_k -2.2392
-delta_H 0 # Not possible to calculate enthalpy of reaction RuOH+2
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Ru+2 = RuSO4
-llnl_gamma 3
log_k 2.3547
-delta_H 0 # Not possible to calculate enthalpy of reaction RuSO4
# Enthalpy of formation: -0 kcal/mol
SO4-2 + Ru+3 = RuSO4+
-llnl_gamma 4
log_k 1.9518
-delta_H 0 # Not possible to calculate enthalpy of reaction RuSO4+
# Enthalpy of formation: -0 kcal/mol
HS- = S-2 + H+
-llnl_gamma 5
log_k -12.9351
-delta_H 49.0364 kJ/mol # Calculated enthalpy of reaction S-2
# Enthalpy of formation: 32.928 kJ/mol
-analytic 9.7756e+1 3.2913e-2 -5.0784e+3 -4.1812e+1 -7.9273e+1
# -Range: 0-300
2 H+ + 2 SO3-2 = S2O5-2 + H2O
-llnl_gamma 4
log_k 9.5934
-delta_H 0 # Not possible to calculate enthalpy of reaction S2O5-2
# Enthalpy of formation: -0 kcal/mol
-analytic 0.12262E+3 0.62883E-1 -0.18005E+4 -0.50798E+2 -0.28132E+2
# -Range: 0-300
2 H+ + SO3-2 = SO2 + H2O
-llnl_gamma 3
log_k 9.0656
-delta_H 26.7316 kJ/mol # Calculated enthalpy of reaction SO2
# Enthalpy of formation: -77.194 kcal/mol
-analytic 9.4048e+1 6.2127e-2 -1.1072e+3 -4.031e+1 -1.7305e+1
# -Range: 0-300
Sb(OH)3 + H+ = Sb(OH)2+ + H2O
-llnl_gamma 4
log_k 1.49
-delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)2+
# Enthalpy of formation: -0 kcal/mol
-analytic -4.9192e+0 -1.6439e-4 1.4777e+3 6.0724e-1 2.3059e+1
# -Range: 0-300
Sb(OH)3 + H+ + F- = Sb(OH)2F + H2O
-llnl_gamma 3
log_k 7.17
-delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)2F
# Enthalpy of formation: -0 kcal/mol
-analytic -1.6961e+2 5.7364e-2 2.7207e+4 3.7969e+1 -2.2834e+6
# -Range: 0-300
Sb(OH)3 + H2O = Sb(OH)4- + H+
-llnl_gamma 4
log_k -11.92
-delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)4-
# Enthalpy of formation: -0 kcal/mol
-analytic 4.9839e+1 -6.7112e-3 -4.8976e+3 -1.7138e+1 -8.3725e+4
# -Range: 0-300
4 HS- + 2 Sb(OH)3 + 2 H+ = Sb2S4-2 + 6 H2O
-llnl_gamma 4
log_k 39.11
-delta_H 0 # Not possible to calculate enthalpy of reaction Sb2S4-2
# Enthalpy of formation: -0 kcal/mol
-analytic 1.7631e+2 8.3686e-2 9.7091e+3 -7.8605e+1 1.5145e+2
# -Range: 0-300
4 Cl- + 3 H+ + Sb(OH)3 = SbCl4- + 3 H2O
-llnl_gamma 4
log_k 3.072
-delta_H 0 # Not possible to calculate enthalpy of reaction SbCl4-
# Enthalpy of formation: -0 kcal/mol
2 HAcetate + Sc+3 = Sc(Acetate)2+ + 2 H+
-llnl_gamma 4
log_k -3.7237
-delta_H -43.1789 kJ/mol # Calculated enthalpy of reaction Sc(Acetate)2+
# Enthalpy of formation: -389.32 kcal/mol
-analytic -4.1862e+1 -3.9443e-5 2.1444e+2 1.2616e+1 5.5442e+5
# -Range: 0-300
3 HAcetate + Sc+3 = Sc(Acetate)3 + 3 H+
-llnl_gamma 3
log_k -6.6777
-delta_H -70.0402 kJ/mol # Calculated enthalpy of reaction Sc(Acetate)3
# Enthalpy of formation: -511.84 kcal/mol
-analytic -5.2525e+1 1.6181e-3 7.5022e+2 1.3988e+1 7.354e+5
# -Range: 0-300
Sc+3 + HAcetate = ScAcetate+2 + H+
-llnl_gamma 4.5
log_k -1.4294
-delta_H -21.7568 kJ/mol # Calculated enthalpy of reaction ScAcetate+2
# Enthalpy of formation: -268.1 kcal/mol
-analytic -2.34e+1 1.3144e-4 1.1125e+2 7.3527e+0 3.0025e+5
# -Range: 0-300
6 F- + 4 H+ + SiO2 = SiF6-2 + 2 H2O
-llnl_gamma 4
log_k 26.2749
-delta_H -70.9565 kJ/mol # Calculated enthalpy of reaction SiF6-2
# Enthalpy of formation: -571 kcal/mol
-analytic 2.3209e+2 1.0685e-1 5.8428e+2 -9.6798e+1 9.0486e+0
# -Range: 0-300
2 HAcetate + Sm+3 = Sm(Acetate)2+ + 2 H+
-llnl_gamma 4
log_k -4.7132
-delta_H -25.5224 kJ/mol # Calculated enthalpy of reaction Sm(Acetate)2+
# Enthalpy of formation: -403.5 kcal/mol
-analytic -1.4192e+1 2.1732e-3 -1.0267e+3 2.9516e+0 4.4389e+5
# -Range: 0-300
3 HAcetate + Sm+3 = Sm(Acetate)3 + 3 H+
-llnl_gamma 3
log_k -7.8798
-delta_H -43.5554 kJ/mol # Calculated enthalpy of reaction Sm(Acetate)3
# Enthalpy of formation: -523.91 kcal/mol
-analytic -2.0765e+1 1.1047e-3 -5.1181e+2 3.4797e+0 5.0618e+5
# -Range: 0-300
2 HCO3- + Sm+3 = Sm(CO3)2- + 2 H+
-llnl_gamma 4
log_k -7.8576
-delta_H 0 # Not possible to calculate enthalpy of reaction Sm(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Sm+3 = Sm(HPO4)2-
-llnl_gamma 4
log_k 9.4
-delta_H 0 # Not possible to calculate enthalpy of reaction Sm(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
# Redundant with SmO2-
#4.0000 H2O + 1.0000 Sm+++ = Sm(OH)4- +4.0000 H+
# -llnl_gamma 4.0
# log_k -36.8803
# -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)4-
## Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Sm+3 = Sm(PO4)2-3 + 2 H+
-llnl_gamma 4
log_k -4.2437
-delta_H 0 # Not possible to calculate enthalpy of reaction Sm(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Sm+3 = Sm(SO4)2-
-llnl_gamma 4
log_k 5.2
-delta_H 0 # Not possible to calculate enthalpy of reaction Sm(SO4)2-
# Enthalpy of formation: -0 kcal/mol
Sm+3 + HAcetate = SmAcetate+2 + H+
-llnl_gamma 4.5
log_k -1.9205
-delta_H -13.598 kJ/mol # Calculated enthalpy of reaction SmAcetate+2
# Enthalpy of formation: -284.55 kcal/mol
-analytic -1.1734e+1 1.0889e-3 -5.1061e+2 3.3317e+0 2.6395e+5
# -Range: 0-300
Sm+3 + HCO3- = SmCO3+ + H+
-llnl_gamma 4
log_k -2.479
-delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction SmCO3+
# Enthalpy of formation: -308.8 kcal/mol
-analytic 2.3486e+2 5.3703e-2 -7.0193e+3 -9.2863e+1 -1.096e+2
# -Range: 0-300
Sm+3 + Cl- = SmCl+2
-llnl_gamma 4.5
log_k 0.3086
-delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction SmCl+2
# Enthalpy of formation: -201.7 kcal/mol
-analytic 9.4972e+1 3.9428e-2 -2.4198e+3 -3.9718e+1 -3.7787e+1
# -Range: 0-300
2 Cl- + Sm+3 = SmCl2+
-llnl_gamma 4
log_k -0.0425
-delta_H 19.9409 kJ/mol # Calculated enthalpy of reaction SmCl2+
# Enthalpy of formation: -240.3 kcal/mol
-analytic 2.5872e+2 8.4154e-2 -7.2061e+3 -1.0493e+2 -1.1252e+2
# -Range: 0-300
3 Cl- + Sm+3 = SmCl3
-llnl_gamma 3
log_k -0.3936
-delta_H 13.803 kJ/mol # Calculated enthalpy of reaction SmCl3
# Enthalpy of formation: -281.7 kcal/mol
-analytic 4.9535e+2 1.352e-1 -1.4325e+4 -1.972e+2 -2.2367e+2
# -Range: 0-300
4 Cl- + Sm+3 = SmCl4-
-llnl_gamma 4
log_k -0.818
-delta_H -5.30531 kJ/mol # Calculated enthalpy of reaction SmCl4-
# Enthalpy of formation: -326.2 kcal/mol
-analytic 6.0562e+2 1.4212e-1 -1.7982e+4 -2.3782e+2 -2.8077e+2
# -Range: 0-300
Sm+3 + F- = SmF+2
-llnl_gamma 4.5
log_k 4.3687
-delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction SmF+2
# Enthalpy of formation: -239.9 kcal/mol
-analytic 1.1514e+2 4.3117e-2 -3.2853e+3 -4.5499e+1 -5.1297e+1
# -Range: 0-300
2 F- + Sm+3 = SmF2+
-llnl_gamma 4
log_k 7.6379
-delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction SmF2+
# Enthalpy of formation: -322.2 kcal/mol
-analytic 2.803e+2 8.8143e-2 -7.2857e+3 -1.1092e+2 -1.1377e+2
# -Range: 0-300
3 F- + Sm+3 = SmF3
-llnl_gamma 3
log_k 10.0275
-delta_H -8.5772 kJ/mol # Calculated enthalpy of reaction SmF3
# Enthalpy of formation: -407.7 kcal/mol
-analytic 5.2425e+2 1.4191e-1 -1.3728e+4 -2.0628e+2 -2.1436e+2
# -Range: 0-300
4 F- + Sm+3 = SmF4-
-llnl_gamma 4
log_k 11.9773
-delta_H -49.7896 kJ/mol # Calculated enthalpy of reaction SmF4-
# Enthalpy of formation: -497.7 kcal/mol
-analytic 6.2228e+2 1.4659e-1 -1.5887e+4 -2.4275e+2 -2.4809e+2
# -Range: 0-300
Sm+3 + HPO4-2 + H+ = SmH2PO4+2
-llnl_gamma 4.5
log_k 9.4484
-delta_H -15.8364 kJ/mol # Calculated enthalpy of reaction SmH2PO4+2
# Enthalpy of formation: -477.8 kcal/mol
-analytic 1.2451e+2 6.4959e-2 -3.9576e+2 -5.3772e+1 -6.2124e+0
# -Range: 0-300
Sm+3 + HCO3- = SmHCO3+2
-llnl_gamma 4.5
log_k 1.7724
-delta_H 9.19643 kJ/mol # Calculated enthalpy of reaction SmHCO3+2
# Enthalpy of formation: -327.9 kcal/mol
-analytic 5.552e+1 3.3265e-2 -7.3142e+2 -2.4727e+1 -1.143e+1
# -Range: 0-300
Sm+3 + HPO4-2 = SmHPO4+
-llnl_gamma 4
log_k 5.6
-delta_H 0 # Not possible to calculate enthalpy of reaction SmHPO4+
# Enthalpy of formation: -0 kcal/mol
Sm+3 + NO3- = SmNO3+2
-llnl_gamma 4.5
log_k 0.8012
-delta_H -29.1667 kJ/mol # Calculated enthalpy of reaction SmNO3+2
# Enthalpy of formation: -221.6 kcal/mol
-analytic 3.3782e+1 2.7125e-2 1.5091e+3 -1.8632e+1 2.3537e+1
# -Range: 0-300
Sm+3 + H2O = SmO+ + 2 H+
-llnl_gamma 4
log_k -16.4837
-delta_H 113.039 kJ/mol # Calculated enthalpy of reaction SmO+
# Enthalpy of formation: -206.5 kcal/mol
-analytic 1.8554e+2 3.0198e-2 -1.3791e+4 -6.6588e+1 -2.1526e+2
# -Range: 0-300
2 H2O + Sm+3 = SmO2- + 4 H+
-llnl_gamma 4
log_k -35.0197
-delta_H 285.909 kJ/mol # Calculated enthalpy of reaction SmO2-
# Enthalpy of formation: -233.5 kcal/mol
-analytic 1.3508e+1 -8.3384e-3 -1.0325e+4 -1.5506e+0 -6.7392e+5
# -Range: 0-300
2 H2O + Sm+3 = SmO2H + 3 H+
-llnl_gamma 3
log_k -25.9304
-delta_H 226.497 kJ/mol # Calculated enthalpy of reaction SmO2H
# Enthalpy of formation: -247.7 kcal/mol
-analytic 3.6882e+2 5.3761e-2 -2.4317e+4 -1.3305e+2 -3.7956e+2
# -Range: 0-300
Sm+3 + H2O = SmOH+2 + H+
-llnl_gamma 4.5
log_k -7.9808
-delta_H 79.1487 kJ/mol # Calculated enthalpy of reaction SmOH+2
# Enthalpy of formation: -214.6 kcal/mol
-analytic 6.3793e+1 1.1977e-2 -6.0852e+3 -2.2198e+1 -9.4972e+1
# -Range: 0-300
Sm+3 + HPO4-2 = SmPO4 + H+
-llnl_gamma 3
log_k -0.2218
-delta_H 0 # Not possible to calculate enthalpy of reaction SmPO4
# Enthalpy of formation: -0 kcal/mol
Sm+3 + SO4-2 = SmSO4+
-llnl_gamma 4
log_k 3.643
-delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction SmSO4+
# Enthalpy of formation: -377.8 kcal/mol
-analytic 3.0597e+2 8.6258e-2 -9.0231e+3 -1.2032e+2 -1.4089e+2
# -Range: 0-300
2 H2O + Sn+2 = Sn(OH)2 + 2 H+
-llnl_gamma 3
log_k -7.9102
-delta_H 42.0534 kJ/mol # Calculated enthalpy of reaction Sn(OH)2
# Enthalpy of formation: -128.683 kcal/mol
-analytic -3.7979e+1 -1.0893e-2 -1.2048e+3 1.51e+1 -2.0445e+1
# -Range: 0-200
2 H2O + Sn+4 = Sn(OH)2+2 + 2 H+
-llnl_gamma 4.5
log_k -0.1902
-delta_H -2.02087 kJ/mol # Calculated enthalpy of reaction Sn(OH)2+2
# Enthalpy of formation: -129.888 kcal/mol
-analytic -2.1675e+1 5.9697e-3 3.3953e+3 4.8158e+0 -3.2042e+5
# -Range: 0-300
3 H2O + Sn+4 = Sn(OH)3+ + 3 H+
-llnl_gamma 4
log_k 0.5148
-delta_H -7.59396 kJ/mol # Calculated enthalpy of reaction Sn(OH)3+
# Enthalpy of formation: -199.537 kcal/mol
-analytic -3.3294e+1 8.858e-3 5.3803e+3 7.4994e+0 -4.8389e+5
# -Range: 0-300
3 H2O + Sn+2 = Sn(OH)3- + 3 H+
-llnl_gamma 4
log_k -17.4052
-delta_H 94.7007 kJ/mol # Calculated enthalpy of reaction Sn(OH)3-
# Enthalpy of formation: -184.417 kcal/mol
-analytic 1.5614e+2 1.9943e-2 -1.07e+4 -5.8031e+1 -1.6701e+2
# -Range: 0-300
4 H2O + Sn+4 = Sn(OH)4 + 4 H+
-llnl_gamma 3
log_k 0.8497
-delta_H -11.0583 kJ/mol # Calculated enthalpy of reaction Sn(OH)4
# Enthalpy of formation: -268.682 kcal/mol
-analytic -7.9563e+1 -2.2641e-2 2.6682e+3 3.1614e+1 4.5337e+1
# -Range: 0-200
2 SO4-2 + Sn+4 = Sn(SO4)2
-llnl_gamma 3
log_k -0.8072
-delta_H 0 # Not possible to calculate enthalpy of reaction Sn(SO4)2
# Enthalpy of formation: -0 kcal/mol
Sn+2 + Cl- = SnCl+
-llnl_gamma 4
log_k 1.05
-delta_H 0 # Not possible to calculate enthalpy of reaction SnCl+
# Enthalpy of formation: -0 kcal/mol
-analytic 3.0558e+2 8.2458e-2 -8.9329e+3 -1.2088e+2 -1.3948e+2
# -Range: 0-300
2 Cl- + Sn+2 = SnCl2
-llnl_gamma 3
log_k 1.71
-delta_H 0 # Not possible to calculate enthalpy of reaction SnCl2
# Enthalpy of formation: -0 kcal/mol
-analytic 3.66e+2 1.0753e-1 -1.0006e+4 -1.466e+2 -1.5624e+2
# -Range: 0-300
3 Cl- + Sn+2 = SnCl3-
-llnl_gamma 4
log_k 1.69
-delta_H 0 # Not possible to calculate enthalpy of reaction SnCl3-
# Enthalpy of formation: -0 kcal/mol
-analytic 3.6019e+2 1.0602e-1 -1.0337e+4 -1.4363e+2 -1.6141e+2
# -Range: 0-300
Sn+2 + F- = SnF+
-llnl_gamma 4
log_k 4.08
-delta_H 0 # Not possible to calculate enthalpy of reaction SnF+
# Enthalpy of formation: -0 kcal/mol
-analytic 3.002e+2 7.5485e-2 -8.4231e+3 -1.1734e+2 -1.3152e+2
# -Range: 0-300
2 F- + Sn+2 = SnF2
-llnl_gamma 3
log_k 6.68
-delta_H 0 # Not possible to calculate enthalpy of reaction SnF2
# Enthalpy of formation: -0 kcal/mol
-analytic 4.1241e+2 1.0988e-1 -1.1151e+4 -1.6207e+2 -1.7413e+2
# -Range: 0-300
3 F- + Sn+2 = SnF3-
-llnl_gamma 4
log_k 9.46
-delta_H 0 # Not possible to calculate enthalpy of reaction SnF3-
# Enthalpy of formation: -0 kcal/mol
-analytic 4.1793e+2 1.0898e-1 -1.1402e+4 -1.6273e+2 -1.7803e+2
# -Range: 0-300
Sn+2 + H2O = SnOH+ + H+
-llnl_gamma 4
log_k -3.9851
-delta_H 21.2045 kJ/mol # Calculated enthalpy of reaction SnOH+
# Enthalpy of formation: -65.349 kcal/mol
-analytic 7.7253e+1 1.9149e-2 -3.3745e+3 -3.056e+1 -5.2679e+1
# -Range: 0-300
Sn+4 + H2O = SnOH+3 + H+
-llnl_gamma 5
log_k 0.6049
-delta_H -5.00406 kJ/mol # Calculated enthalpy of reaction SnOH+3
# Enthalpy of formation: -62.284 kcal/mol
-analytic -1.1548e+1 2.8878e-3 1.9476e+3 2.6622e+0 -1.6274e+5
# -Range: 0-300
Sn+4 + SO4-2 = SnSO4+2
-llnl_gamma 4.5
log_k -3.1094
-delta_H 0 # Not possible to calculate enthalpy of reaction SnSO4+2
# Enthalpy of formation: -0 kcal/mol
2 HAcetate + Sr+2 = Sr(Acetate)2 + 2 H+
-llnl_gamma 3
log_k -7.8212
-delta_H 0.54392 kJ/mol # Calculated enthalpy of reaction Sr(Acetate)2
# Enthalpy of formation: -363.74 kcal/mol
-analytic 1.2965e+1 4.7082e-3 -5.2538e+3 -5.2337e+0 7.4721e+5
# -Range: 0-300
Sr+2 + HAcetate = SrAcetate+ + H+
-llnl_gamma 4
log_k -3.6724
-delta_H 2.3012 kJ/mol # Calculated enthalpy of reaction SrAcetate+
# Enthalpy of formation: -247.22 kcal/mol
-analytic -1.4301e+1 1.2481e-3 -7.569e+2 4.276e+0 1.98e+5
# -Range: 0-300
Sr+2 + HCO3- = SrCO3 + H+
-llnl_gamma 3
log_k -7.4635
-delta_H 33.2544 kJ/mol # Calculated enthalpy of reaction SrCO3
# Enthalpy of formation: -288.62 kcal/mol
-analytic 2.2303e+2 5.2582e-2 -8.4861e+3 -8.7975e+1 -1.3248e+2
# -Range: 0-300
Sr+2 + Cl- = SrCl+
-llnl_gamma 4
log_k -0.2485
-delta_H 7.58559 kJ/mol # Calculated enthalpy of reaction SrCl+
# Enthalpy of formation: -169.79 kcal/mol
-analytic 9.4568e+1 3.9042e-2 -2.1458e+3 -4.0105e+1 -3.3511e+1
# -Range: 0-300
Sr+2 + F- = SrF+
-llnl_gamma 4
log_k 0.1393
-delta_H 4.8116 kJ/mol # Calculated enthalpy of reaction SrF+
# Enthalpy of formation: -210.67 kcal/mol
-analytic 9.0295e+1 3.7609e-2 -1.9012e+3 -3.8379e+1 -2.9693e+1
# -Range: 0-300
Sr+2 + HPO4-2 + H+ = SrH2PO4+
-llnl_gamma 4
log_k 0.73
-delta_H 0 # Not possible to calculate enthalpy of reaction SrH2PO4+
# Enthalpy of formation: -0 kcal/mol
Sr+2 + HPO4-2 = SrHPO4
-llnl_gamma 3
log_k 2.06
-delta_H 0 # Not possible to calculate enthalpy of reaction SrHPO4
# Enthalpy of formation: -0 kcal/mol
Sr+2 + NO3- = SrNO3+
-llnl_gamma 4
log_k 0.8
-delta_H 0 # Not possible to calculate enthalpy of reaction SrNO3+
# Enthalpy of formation: -0 kcal/mol
Sr+2 + H2O = SrOH+ + H+
-llnl_gamma 4
log_k -13.29
-delta_H 0 # Not possible to calculate enthalpy of reaction SrOH+
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Sr+2 = SrP2O7-2 + H2O
-llnl_gamma 4
log_k 1.6537
-delta_H 0 # Not possible to calculate enthalpy of reaction SrP2O7-2
# Enthalpy of formation: -0 kcal/mol
Sr+2 + SO4-2 = SrSO4
-llnl_gamma 3
log_k 2.3
-delta_H 0 # Not possible to calculate enthalpy of reaction SrSO4
# Enthalpy of formation: -0 kcal/mol
2 HAcetate + Tb+3 = Tb(Acetate)2+ + 2 H+
-llnl_gamma 4
log_k -4.9625
-delta_H -27.9491 kJ/mol # Calculated enthalpy of reaction Tb(Acetate)2+
# Enthalpy of formation: -405.78 kcal/mol
-analytic -2.391e+1 1.3433e-3 -8.08e+2 6.3895e+0 4.8619e+5
# -Range: 0-300
3 HAcetate + Tb+3 = Tb(Acetate)3 + 3 H+
-llnl_gamma 3
log_k -8.3489
-delta_H -47.1537 kJ/mol # Calculated enthalpy of reaction Tb(Acetate)3
# Enthalpy of formation: -526.47 kcal/mol
-analytic -1.0762e+1 4.2361e-3 -1.562e+3 -3.9317e-1 6.5745e+5
# -Range: 0-300
2 HCO3- + Tb+3 = Tb(CO3)2- + 2 H+
-llnl_gamma 4
log_k -7.5576
-delta_H 0 # Not possible to calculate enthalpy of reaction Tb(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Tb+3 = Tb(HPO4)2-
-llnl_gamma 4
log_k 9.7
-delta_H 0 # Not possible to calculate enthalpy of reaction Tb(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Tb+3 = Tb(PO4)2-3 + 2 H+
-llnl_gamma 4
log_k -3.6437
-delta_H 0 # Not possible to calculate enthalpy of reaction Tb(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Tb+3 = Tb(SO4)2-
-llnl_gamma 4
log_k 5
-delta_H 0 # Not possible to calculate enthalpy of reaction Tb(SO4)2-
# Enthalpy of formation: -0 kcal/mol
Tb+3 + HAcetate = TbAcetate+2 + H+
-llnl_gamma 4.5
log_k -2.1037
-delta_H -14.2256 kJ/mol # Calculated enthalpy of reaction TbAcetate+2
# Enthalpy of formation: -286.4 kcal/mol
-analytic -1.6817e+1 6.429e-4 -3.4442e+2 5.0994e+0 2.7304e+5
# -Range: 0-300
Tb+3 + HCO3- = TbCO3+ + H+
-llnl_gamma 4
log_k -2.4057
-delta_H 89.5292 kJ/mol # Calculated enthalpy of reaction TbCO3+
# Enthalpy of formation: -310.4 kcal/mol
-analytic 2.2347e+2 5.4185e-2 -6.4127e+3 -8.9112e+1 -1.0013e+2
# -Range: 0-300
Tb+3 + Cl- = TbCl+2
-llnl_gamma 4.5
log_k 0.2353
-delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction TbCl+2
# Enthalpy of formation: -203.5 kcal/mol
-analytic 7.1095e+1 3.7367e-2 -1.4676e+3 -3.114e+1 -2.2921e+1
# -Range: 0-300
2 Cl- + Tb+3 = TbCl2+
-llnl_gamma 4
log_k -0.0425
-delta_H 18.2673 kJ/mol # Calculated enthalpy of reaction TbCl2+
# Enthalpy of formation: -242.4 kcal/mol
-analytic 2.0699e+2 7.9609e-2 -5.0958e+3 -8.6337e+1 -7.9576e+1
# -Range: 0-300
3 Cl- + Tb+3 = TbCl3
-llnl_gamma 3
log_k -0.4669
-delta_H 10.0374 kJ/mol # Calculated enthalpy of reaction TbCl3
# Enthalpy of formation: -284.3 kcal/mol
-analytic 4.0764e+2 1.2809e-1 -1.0704e+4 -1.6583e+2 -1.6715e+2
# -Range: 0-300
4 Cl- + Tb+3 = TbCl4-
-llnl_gamma 4
log_k -0.8913
-delta_H -11.5813 kJ/mol # Calculated enthalpy of reaction TbCl4-
# Enthalpy of formation: -329.4 kcal/mol
-analytic 4.6247e+2 1.2926e-1 -1.2117e+4 -1.8639e+2 -1.8921e+2
# -Range: 0-300
Tb+3 + F- = TbF+2
-llnl_gamma 4.5
log_k 4.6619
-delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction TbF+2
# Enthalpy of formation: -241.6 kcal/mol
-analytic 9.2579e+1 4.1327e-2 -2.3647e+3 -3.7293e+1 -3.6927e+1
# -Range: 0-300
2 F- + Tb+3 = TbF2+
-llnl_gamma 4
log_k 8.151
-delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction TbF2+
# Enthalpy of formation: -324.3 kcal/mol
-analytic 2.31e+2 8.4094e-2 -5.2548e+3 -9.3051e+1 -8.2065e+1
# -Range: 0-300
3 F- + Tb+3 = TbF3
-llnl_gamma 3
log_k 10.6872
-delta_H -11.9244 kJ/mol # Calculated enthalpy of reaction TbF3
# Enthalpy of formation: -410.2 kcal/mol
-analytic 4.373e+2 1.3479e-1 -1.0128e+4 -1.7489e+2 -1.5817e+2
# -Range: 0-300
4 F- + Tb+3 = TbF4-
-llnl_gamma 4
log_k 12.7836
-delta_H -56.0656 kJ/mol # Calculated enthalpy of reaction TbF4-
# Enthalpy of formation: -500.9 kcal/mol
-analytic 4.8546e+2 1.3511e-1 -1.0189e+4 -1.9347e+2 -1.5913e+2
# -Range: 0-300
Tb+3 + HPO4-2 + H+ = TbH2PO4+2
-llnl_gamma 4.5
log_k 9.3751
-delta_H -17.51 kJ/mol # Calculated enthalpy of reaction TbH2PO4+2
# Enthalpy of formation: -479.9 kcal/mol
-analytic 1.0042e+2 6.2886e-2 6.0975e+2 -4.5178e+1 9.4847e+0
# -Range: 0-300
Tb+3 + HCO3- = TbHCO3+2
-llnl_gamma 4.5
log_k 1.6991
-delta_H -14.6524 kJ/mol # Calculated enthalpy of reaction TbHCO3+2
# Enthalpy of formation: -335.3 kcal/mol
-analytic 1.7376e+1 2.8365e-2 1.6982e+3 -1.2044e+1 2.6494e+1
# -Range: 0-300
Tb+3 + HPO4-2 = TbHPO4+
-llnl_gamma 4
log_k 5.8
-delta_H 0 # Not possible to calculate enthalpy of reaction TbHPO4+
# Enthalpy of formation: -0 kcal/mol
Tb+3 + NO3- = TbNO3+2
-llnl_gamma 4.5
log_k 0.508
-delta_H -31.2587 kJ/mol # Calculated enthalpy of reaction TbNO3+2
# Enthalpy of formation: -223.8 kcal/mol
-analytic 8.7852e+0 2.4868e-2 2.5553e+3 -9.7944e+0 3.9871e+1
# -Range: 0-300
Tb+3 + H2O = TbO+ + 2 H+
-llnl_gamma 4
log_k -16.1904
-delta_H 109.692 kJ/mol # Calculated enthalpy of reaction TbO+
# Enthalpy of formation: -209 kcal/mol
-analytic 1.7975e+2 2.9563e-2 -1.3407e+4 -6.4573e+1 -2.0926e+2
# -Range: 0-300
2 H2O + Tb+3 = TbO2- + 4 H+
-llnl_gamma 4
log_k -34.2134
-delta_H 278.797 kJ/mol # Calculated enthalpy of reaction TbO2-
# Enthalpy of formation: -236.9 kcal/mol
-analytic 1.6924e+2 1.1804e-2 -1.9821e+4 -5.6781e+1 -3.0933e+2
# -Range: 0-300
2 H2O + Tb+3 = TbO2H + 3 H+
-llnl_gamma 3
log_k -25.0508
-delta_H 219.802 kJ/mol # Calculated enthalpy of reaction TbO2H
# Enthalpy of formation: -251 kcal/mol
-analytic 3.2761e+2 4.5225e-2 -2.2652e+4 -1.1727e+2 -3.5356e+2
# -Range: 0-300
Tb+3 + H2O = TbOH+2 + H+
-llnl_gamma 4.5
log_k -7.8342
-delta_H 77.4751 kJ/mol # Calculated enthalpy of reaction TbOH+2
# Enthalpy of formation: -216.7 kcal/mol
-analytic 5.9574e+1 1.1625e-2 -5.8143e+3 -2.0759e+1 -9.0744e+1
# -Range: 0-300
Tb+3 + HPO4-2 = TbPO4 + H+
-llnl_gamma 3
log_k 0.0782
-delta_H 0 # Not possible to calculate enthalpy of reaction TbPO4
# Enthalpy of formation: -0 kcal/mol
Tb+3 + SO4-2 = TbSO4+
-llnl_gamma 4
log_k 3.643
-delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction TbSO4+
# Enthalpy of formation: -379.6 kcal/mol
-analytic 2.9633e+2 8.5155e-2 -8.6346e+3 -1.1682e+2 -1.3482e+2
# -Range: 0-300
2 H2O + TcO+2 = TcO(OH)2 + 2 H+
-llnl_gamma 3
log_k -3.3221
-delta_H 0 # Not possible to calculate enthalpy of reaction TcO(OH)2
# Enthalpy of formation: -0 kcal/mol
TcO+2 + H2O = TcOOH+ + H+
-llnl_gamma 4
log_k -1.1355
-delta_H 0 # Not possible to calculate enthalpy of reaction TcOOH+
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + 2 H+ + Th+4 = Th(H2PO4)2+2
-llnl_gamma 4.5
log_k 23.207
-delta_H 0 # Not possible to calculate enthalpy of reaction Th(H2PO4)2+2
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Th+4 = Th(HPO4)2
-llnl_gamma 3
log_k 22.6939
-delta_H -13.644 kJ/mol # Calculated enthalpy of reaction Th(HPO4)2
# Enthalpy of formation: -804.691 kcal/mol
-analytic 6.5208e+2 2.3099e-1 -1.299e+4 -2.6457e+2 -2.2082e+2
# -Range: 0-200
3 HPO4-2 + Th+4 = Th(HPO4)3-2
-llnl_gamma 4
log_k 31.1894
-delta_H 0 # Not possible to calculate enthalpy of reaction Th(HPO4)3-2
# Enthalpy of formation: -0 kcal/mol
2 H2O + Th+4 = Th(OH)2+2 + 2 H+
-llnl_gamma 4.5
log_k -7.1068
-delta_H 58.668 kJ/mol # Calculated enthalpy of reaction Th(OH)2+2
# Enthalpy of formation: -306.412 kcal/mol
-analytic -1.1274e+1 3.4195e-3 -3.7553e+2 3.1299e+0 -2.9696e+5
# -Range: 0-300
3 H2O + Th+4 = Th(OH)3+ + 3 H+
-llnl_gamma 4
log_k -11.8623
-delta_H 86.1318 kJ/mol # Calculated enthalpy of reaction Th(OH)3+
# Enthalpy of formation: -368.165 kcal/mol
4 H2O + Th+4 = Th(OH)4 + 4 H+
-llnl_gamma 3
log_k -16.0315
-delta_H 104.01 kJ/mol # Calculated enthalpy of reaction Th(OH)4
# Enthalpy of formation: -432.209 kcal/mol
-analytic 2.9534e+1 1.555e-2 -5.668e+3 -1.2598e+1 -9.6262e+1
# -Range: 0-200
2 SO4-2 + Th+4 = Th(SO4)2
-llnl_gamma 3
log_k 9.617
-delta_H 32.2377 kJ/mol # Calculated enthalpy of reaction Th(SO4)2
# Enthalpy of formation: -610.895 kcal/mol
-analytic 4.6425e+2 1.6769e-1 -1.1195e+4 -1.8875e+2 -1.9027e+2
# -Range: 0-200
3 SO4-2 + Th+4 = Th(SO4)3-2
-llnl_gamma 4
log_k 10.4014
-delta_H 0 # Not possible to calculate enthalpy of reaction Th(SO4)3-2
# Enthalpy of formation: -0 kcal/mol
4 SO4-2 + Th+4 = Th(SO4)4-4
-llnl_gamma 4
log_k 8.4003
-delta_H 0 # Not possible to calculate enthalpy of reaction Th(SO4)4-4
# Enthalpy of formation: -0 kcal/mol
2 Th+4 + 2 H2O = Th2(OH)2+6 + 2 H+
-llnl_gamma 6
log_k -6.4618
-delta_H 63.7181 kJ/mol # Calculated enthalpy of reaction Th2(OH)2+6
# Enthalpy of formation: -489.005 kcal/mol
-analytic 6.8838e+1 -4.1348e-3 -6.4415e+3 -2.12e+1 -1.0053e+2
# -Range: 0-300
8 H2O + 4 Th+4 = Th4(OH)8+8 + 8 H+
-llnl_gamma 6
log_k -21.7568
-delta_H 245.245 kJ/mol # Calculated enthalpy of reaction Th4(OH)8+8
# Enthalpy of formation: -1223.12 kcal/mol
-analytic 2.7826e+2 -2.3504e-3 -2.441e+4 -8.7873e+1 -3.8097e+2
# -Range: 0-300
15 H2O + 6 Th+4 = Th6(OH)15+9 + 15 H+
-llnl_gamma 6
log_k -37.7027
-delta_H 458.248 kJ/mol # Calculated enthalpy of reaction Th6(OH)15+9
# Enthalpy of formation: -2018.03 kcal/mol
-analytic 5.2516e+2 3.3015e-3 -4.5237e+4 -1.6654e+2 -7.0603e+2
# -Range: 0-300
Th+4 + Cl- = ThCl+3
-llnl_gamma 5
log_k 0.9536
-delta_H 0.06276 kJ/mol # Calculated enthalpy of reaction ThCl+3
# Enthalpy of formation: -223.718 kcal/mol
-analytic 9.743e+1 3.9398e-2 -1.8653e+3 -4.1202e+1 -2.9135e+1
# -Range: 0-300
2 Cl- + Th+4 = ThCl2+2
-llnl_gamma 4.5
log_k 0.6758
-delta_H 0 # Not possible to calculate enthalpy of reaction ThCl2+2
# Enthalpy of formation: -0 kcal/mol
3 Cl- + Th+4 = ThCl3+
-llnl_gamma 4
log_k 1.4975
-delta_H 0 # Not possible to calculate enthalpy of reaction ThCl3+
# Enthalpy of formation: -0 kcal/mol
4 Cl- + Th+4 = ThCl4
-llnl_gamma 3
log_k 1.0731
-delta_H 0 # Not possible to calculate enthalpy of reaction ThCl4
# Enthalpy of formation: -0 kcal/mol
Th+4 + F- = ThF+3
-llnl_gamma 5
log_k 7.8725
-delta_H -4.87436 kJ/mol # Calculated enthalpy of reaction ThF+3
# Enthalpy of formation: -265.115 kcal/mol
-analytic 1.1679e+2 3.9201e-2 -2.2118e+3 -4.5736e+1 -3.4548e+1
# -Range: 0-300
2 F- + Th+4 = ThF2+2
-llnl_gamma 4.5
log_k 14.0884
-delta_H -7.77806 kJ/mol # Calculated enthalpy of reaction ThF2+2
# Enthalpy of formation: -345.959 kcal/mol
-analytic 2.32e+2 7.9567e-2 -4.4418e+3 -9.1617e+1 -6.9379e+1
# -Range: 0-300
3 F- + Th+4 = ThF3+
-llnl_gamma 4
log_k 18.7357
-delta_H -11.7068 kJ/mol # Calculated enthalpy of reaction ThF3+
# Enthalpy of formation: -427.048 kcal/mol
-analytic 3.4511e+2 1.2149e-1 -6.5065e+3 -1.377e+2 -1.0163e+2
# -Range: 0-300
4 F- + Th+4 = ThF4
-llnl_gamma 3
log_k 22.1515
-delta_H -14.8448 kJ/mol # Calculated enthalpy of reaction ThF4
# Enthalpy of formation: -507.948 kcal/mol
-analytic 6.1206e+2 2.1878e-1 -1.1938e+4 -2.4857e+2 -2.0294e+2
# -Range: 0-200
Th+4 + HPO4-2 + H+ = ThH2PO4+3
-llnl_gamma 5
log_k 11.7061
-delta_H 0 # Not possible to calculate enthalpy of reaction ThH2PO4+3
# Enthalpy of formation: -0 kcal/mol
2 H+ + Th+4 + HPO4-2 = ThH3PO4+4
-llnl_gamma 5.5
log_k 11.1197
-delta_H 0 # Not possible to calculate enthalpy of reaction ThH3PO4+4
# Enthalpy of formation: -0 kcal/mol
Th+4 + HPO4-2 = ThHPO4+2
-llnl_gamma 4.5
log_k 10.6799
-delta_H 0.1046 kJ/mol # Calculated enthalpy of reaction ThHPO4+2
# Enthalpy of formation: -492.59 kcal/mol
Th+4 + H2O = ThOH+3 + H+
-llnl_gamma 5
log_k -3.8871
-delta_H 25.0275 kJ/mol # Calculated enthalpy of reaction ThOH+3
# Enthalpy of formation: -1029.83 kJ/mol
-analytic 1.0495e+1 5.1532e-3 -8.6396e+2 -4.842e+0 -9.2609e+4
# -Range: 0-300
Th+4 + SO4-2 = ThSO4+2
-llnl_gamma 4.5
log_k 5.3143
-delta_H 16.3511 kJ/mol # Calculated enthalpy of reaction ThSO4+2
# Enthalpy of formation: -397.292 kcal/mol
-analytic 1.9443e+2 7.5245e-2 -4.501e+3 -7.9379e+1 -7.0291e+1
# -Range: 0-300
2 HAcetate + Tl+ = Tl(Acetate)2- + 2 H+
-llnl_gamma 4
log_k -10.0129
-delta_H 1.2552 kJ/mol # Calculated enthalpy of reaction Tl(Acetate)2-
# Enthalpy of formation: -230.62 kcal/mol
-analytic -1.8123e+2 -4.0616e-2 5.0741e+3 6.7216e+1 7.9229e+1
# -Range: 0-300
Tl+ + HAcetate = TlAcetate + H+
-llnl_gamma 3
log_k -4.8672
-delta_H 6.15048 kJ/mol # Calculated enthalpy of reaction TlAcetate
# Enthalpy of formation: -113.35 kcal/mol
-analytic 9.2977e+0 -3.4368e-3 -2.1748e+3 -3.1454e+0 1.7273e+5
# -Range: 0-300
2 HAcetate + Tm+3 = Tm(Acetate)2+ + 2 H+
-llnl_gamma 4
log_k -4.9844
-delta_H -32.5934 kJ/mol # Calculated enthalpy of reaction Tm(Acetate)2+
# Enthalpy of formation: -408.49 kcal/mol
-analytic -2.8983e+1 2.0256e-3 -1.1525e+3 8.2163e+0 6.182e+5
# -Range: 0-300
3 HAcetate + Tm+3 = Tm(Acetate)3 + 3 H+
-llnl_gamma 3
log_k -8.3783
-delta_H -54.8104 kJ/mol # Calculated enthalpy of reaction Tm(Acetate)3
# Enthalpy of formation: -529.9 kcal/mol
-analytic -2.89e+1 4.9633e-3 -1.6574e+3 6.0186e+0 8.6624e+5
# -Range: 0-300
2 HCO3- + Tm+3 = Tm(CO3)2- + 2 H+
-llnl_gamma 4
log_k -7.1576
-delta_H 0 # Not possible to calculate enthalpy of reaction Tm(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Tm+3 = Tm(HPO4)2-
-llnl_gamma 4
log_k 10.1
-delta_H 0 # Not possible to calculate enthalpy of reaction Tm(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Tm+3 = Tm(PO4)2-3 + 2 H+
-llnl_gamma 4
log_k -3.0437
-delta_H 0 # Not possible to calculate enthalpy of reaction Tm(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Tm+3 = Tm(SO4)2-
-llnl_gamma 4
log_k 5.1
-delta_H 0 # Not possible to calculate enthalpy of reaction Tm(SO4)2-
# Enthalpy of formation: -0 kcal/mol
Tm+3 + HAcetate = TmAcetate+2 + H+
-llnl_gamma 4.5
log_k -2.1184
-delta_H -16.3176 kJ/mol # Calculated enthalpy of reaction TmAcetate+2
# Enthalpy of formation: -288.5 kcal/mol
-analytic -1.6068e+1 1.2043e-3 -6.2777e+2 4.8318e+0 3.3363e+5
# -Range: 0-300
Tm+3 + HCO3- = TmCO3+ + H+
-llnl_gamma 4
log_k -2.1125
-delta_H 86.6004 kJ/mol # Calculated enthalpy of reaction TmCO3+
# Enthalpy of formation: -312.7 kcal/mol
-analytic 2.3889e+2 5.4733e-2 -6.9382e+3 -9.4581e+1 -1.0833e+2
# -Range: 0-300
Tm+3 + Cl- = TmCl+2
-llnl_gamma 4.5
log_k 0.2353
-delta_H 13.1085 kJ/mol # Calculated enthalpy of reaction TmCl+2
# Enthalpy of formation: -205.3 kcal/mol
-analytic 7.4795e+1 3.7655e-2 -1.5701e+3 -3.2531e+1 -2.4523e+1
# -Range: 0-300
2 Cl- + Tm+3 = TmCl2+
-llnl_gamma 4
log_k -0.0425
-delta_H 15.7569 kJ/mol # Calculated enthalpy of reaction TmCl2+
# Enthalpy of formation: -244.6 kcal/mol
-analytic 2.0352e+2 7.9173e-2 -4.8574e+3 -8.5202e+1 -7.5855e+1
# -Range: 0-300
3 Cl- + Tm+3 = TmCl3
-llnl_gamma 3
log_k -0.4669
-delta_H 5.43502 kJ/mol # Calculated enthalpy of reaction TmCl3
# Enthalpy of formation: -287 kcal/mol
-analytic 3.9793e+2 1.2777e-1 -1.007e+4 -1.6272e+2 -1.5725e+2
# -Range: 0-300
4 Cl- + Tm+3 = TmCl4-
-llnl_gamma 4
log_k -0.8913
-delta_H -20.3677 kJ/mol # Calculated enthalpy of reaction TmCl4-
# Enthalpy of formation: -333.1 kcal/mol
-analytic 4.3574e+2 1.2655e-1 -1.0713e+4 -1.7716e+2 -1.673e+2
# -Range: 0-300
Tm+3 + F- = TmF+2
-llnl_gamma 4.5
log_k 4.8085
-delta_H 23.6396 kJ/mol # Calculated enthalpy of reaction TmF+2
# Enthalpy of formation: -243 kcal/mol
-analytic 9.7686e+1 4.189e-2 -2.5909e+3 -3.9059e+1 -4.0457e+1
# -Range: 0-300
2 F- + Tm+3 = TmF2+
-llnl_gamma 4
log_k 8.3709
-delta_H 12.552 kJ/mol # Calculated enthalpy of reaction TmF2+
# Enthalpy of formation: -325.8 kcal/mol
-analytic 2.2986e+2 8.4119e-2 -5.2144e+3 -9.2558e+1 -8.1433e+1
# -Range: 0-300
3 F- + Tm+3 = TmF3
-llnl_gamma 3
log_k 10.9804
-delta_H -12.7612 kJ/mol # Calculated enthalpy of reaction TmF3
# Enthalpy of formation: -412 kcal/mol
-analytic 4.2855e+2 1.3445e-1 -9.7045e+3 -1.7177e+2 -1.5156e+2
# -Range: 0-300
4 F- + Tm+3 = TmF4-
-llnl_gamma 4
log_k 13.1501
-delta_H -60.668 kJ/mol # Calculated enthalpy of reaction TmF4-
# Enthalpy of formation: -503.6 kcal/mol
-analytic 4.6559e+2 1.3386e-1 -9.179e+3 -1.865e+2 -1.4337e+2
# -Range: 0-300
Tm+3 + HPO4-2 + H+ = TmH2PO4+2
-llnl_gamma 4.5
log_k 9.4484
-delta_H -20.4388 kJ/mol # Calculated enthalpy of reaction TmH2PO4+2
# Enthalpy of formation: -482.2 kcal/mol
-analytic 1.036e+2 6.3085e-2 6.0731e+2 -4.6456e+1 9.4456e+0
# -Range: 0-300
Tm+3 + HCO3- = TmHCO3+2
-llnl_gamma 4.5
log_k 1.7724
-delta_H 5.01243 kJ/mol # Calculated enthalpy of reaction TmHCO3+2
# Enthalpy of formation: -332.2 kcal/mol
-analytic 3.3102e+1 3.101e-2 2.988e+2 -1.6791e+1 4.6524e+0
# -Range: 0-300
Tm+3 + HPO4-2 = TmHPO4+
-llnl_gamma 4
log_k 5.9
-delta_H 0 # Not possible to calculate enthalpy of reaction TmHPO4+
# Enthalpy of formation: -0 kcal/mol
Tm+3 + NO3- = TmNO3+2
-llnl_gamma 4.5
log_k 0.2148
-delta_H -33.7691 kJ/mol # Calculated enthalpy of reaction TmNO3+2
# Enthalpy of formation: -226 kcal/mol
-analytic 1.1085e+1 2.4898e-2 2.5664e+3 -1.0861e+1 4.0043e+1
# -Range: 0-300
Tm+3 + H2O = TmO+ + 2 H+
-llnl_gamma 4
log_k -15.8972
-delta_H 105.508 kJ/mol # Calculated enthalpy of reaction TmO+
# Enthalpy of formation: -211.6 kcal/mol
-analytic 1.7572e+2 2.8756e-2 -1.3096e+4 -6.315e+1 -2.0441e+2
# -Range: 0-300
2 H2O + Tm+3 = TmO2- + 4 H+
-llnl_gamma 4
log_k -32.6741
-delta_H 266.663 kJ/mol # Calculated enthalpy of reaction TmO2-
# Enthalpy of formation: -241.4 kcal/mol
-analytic 3.3118e+1 -5.2802e-3 -1.1318e+4 -8.4764e+0 -4.6998e+5
# -Range: 0-300
2 H2O + Tm+3 = TmO2H + 3 H+
-llnl_gamma 3
log_k -24.1712
-delta_H 211.853 kJ/mol # Calculated enthalpy of reaction TmO2H
# Enthalpy of formation: -254.5 kcal/mol
-analytic 3.1648e+2 4.4527e-2 -2.1821e+4 -1.1345e+2 -3.4059e+2
# -Range: 0-300
Tm+3 + H2O = TmOH+2 + H+
-llnl_gamma 4.5
log_k -7.6876
-delta_H 74.5463 kJ/mol # Calculated enthalpy of reaction TmOH+2
# Enthalpy of formation: -219 kcal/mol
-analytic 5.7572e+1 1.1162e-2 -5.6381e+3 -2.0074e+1 -8.7994e+1
# -Range: 0-300
Tm+3 + HPO4-2 = TmPO4 + H+
-llnl_gamma 3
log_k 0.4782
-delta_H 0 # Not possible to calculate enthalpy of reaction TmPO4
# Enthalpy of formation: -0 kcal/mol
Tm+3 + SO4-2 = TmSO4+
-llnl_gamma 4
log_k 3.5697
-delta_H 19.9995 kJ/mol # Calculated enthalpy of reaction TmSO4+
# Enthalpy of formation: -381.12 kcal/mol
-analytic 3.0441e+2 8.607e-2 -8.9592e+3 -1.1979e+2 -1.3989e+2
# -Range: 0-300
4 HCO3- + U+4 = U(CO3)4-4 + 4 H+
-llnl_gamma 4
log_k -6.2534
-delta_H 0 # Not possible to calculate enthalpy of reaction U(CO3)4-4
# Enthalpy of formation: -0 kcal/mol
5 HCO3- + U+4 = U(CO3)5-6 + 5 H+
-llnl_gamma 4
log_k -17.7169
-delta_H 53.5172 kJ/mol # Calculated enthalpy of reaction U(CO3)5-6
# Enthalpy of formation: -3987.35 kJ/mol
-analytic 6.302e+2 1.9391e-1 -1.9238e+4 -2.5912e+2 -3.0038e+2
# -Range: 0-300
2 NO3- + U+4 = U(NO3)2+2
-llnl_gamma 4.5
log_k 2.261
-delta_H 0 # Not possible to calculate enthalpy of reaction U(NO3)2+2
# Enthalpy of formation: -0 kcal/mol
4 H2O + U+4 = U(OH)4 + 4 H+
-llnl_gamma 3
log_k -4.57
-delta_H 78.7553 kJ/mol # Calculated enthalpy of reaction U(OH)4
# Enthalpy of formation: -1655.8 kJ/mol
-analytic 2.6685e+2 9.8204e-2 -9.4428e+3 -1.0871e+2 -1.6045e+2
# -Range: 0-200
2 Thiocyanate- + U+4 = U(Thiocyanate)2+2
-llnl_gamma 4.5
log_k 4.26
-delta_H 0 # Not possible to calculate enthalpy of reaction U(Thiocyanate)2+2
# Enthalpy of formation: -456.4 kJ/mol
-analytic 6.2193e+0 2.7673e-2 2.4326e+3 -7.4158e+0 3.7957e+1
# -Range: 0-300
2 SO4-2 + U+4 = U(SO4)2
-llnl_gamma 3
log_k 10.3507
-delta_H 33.2232 kJ/mol # Calculated enthalpy of reaction U(SO4)2
# Enthalpy of formation: -2377.18 kJ/mol
-analytic 4.9476e+2 1.7832e-1 -1.1901e+4 -2.0111e+2 -2.0227e+2
# -Range: 0-200
U+4 + Br- = UBr+3
-llnl_gamma 5
log_k 1.424
-delta_H 0 # Not possible to calculate enthalpy of reaction UBr+3
# Enthalpy of formation: -0 kcal/mol
U+4 + Cl- = UCl+3
-llnl_gamma 5
log_k 1.7073
-delta_H -18.9993 kJ/mol # Calculated enthalpy of reaction UCl+3
# Enthalpy of formation: -777.279 kJ/mol
-analytic 9.4418e+1 4.1718e-2 -7.0675e+2 -4.1532e+1 -1.1056e+1
# -Range: 0-300
U+4 + F- = UF+3
-llnl_gamma 5
log_k 9.2403
-delta_H -5.6024 kJ/mol # Calculated enthalpy of reaction UF+3
# Enthalpy of formation: -932.15 kJ/mol
-analytic 1.1828e+2 3.8097e-2 -2.2531e+3 -4.5594e+1 -3.5193e+1
# -Range: 0-300
2 F- + U+4 = UF2+2
-llnl_gamma 4.5
log_k 16.1505
-delta_H -3.5048 kJ/mol # Calculated enthalpy of reaction UF2+2
# Enthalpy of formation: -1265.4 kJ/mol
-analytic 2.3537e+2 7.7064e-2 -4.8455e+3 -9.1296e+1 -7.5679e+1
# -Range: 0-300
3 F- + U+4 = UF3+
-llnl_gamma 4
log_k 21.4806
-delta_H 0.4938 kJ/mol # Calculated enthalpy of reaction UF3+
# Enthalpy of formation: -1596.75 kJ/mol
-analytic 3.5097e+2 1.1714e-1 -7.4569e+3 -1.3714e+2 -1.1646e+2
# -Range: 0-300
4 F- + U+4 = UF4
-llnl_gamma 3
log_k 25.4408
-delta_H -4.2146 kJ/mol # Calculated enthalpy of reaction UF4
# Enthalpy of formation: -1936.81 kJ/mol
-analytic 7.8549e+2 2.7922e-1 -1.6213e+4 -3.1881e+2 -2.7559e+2
# -Range: 0-200
5 F- + U+4 = UF5-
-llnl_gamma 4
log_k 26.811
-delta_H 0 # Not possible to calculate enthalpy of reaction UF5-
# Enthalpy of formation: -0 kcal/mol
6 F- + U+4 = UF6-2
-llnl_gamma 4
log_k 28.8412
-delta_H 0 # Not possible to calculate enthalpy of reaction UF6-2
# Enthalpy of formation: -0 kcal/mol
U+4 + I- = UI+3
-llnl_gamma 5
log_k 1.2151
-delta_H 0 # Not possible to calculate enthalpy of reaction UI+3
# Enthalpy of formation: -0 kcal/mol
U+4 + NO3- = UNO3+3
-llnl_gamma 5
log_k 1.4506
-delta_H 0 # Not possible to calculate enthalpy of reaction UNO3+3
# Enthalpy of formation: -0 kcal/mol
2 HCO3- + UO2+2 = UO2(CO3)2-2 + 2 H+
-llnl_gamma 4
log_k -3.7467
-delta_H 47.9065 kJ/mol # Calculated enthalpy of reaction UO2(CO3)2-2
# Enthalpy of formation: -2350.96 kJ/mol
-analytic 2.6569e+2 8.1552e-2 -9.0918e+3 -1.0638e+2 -1.4195e+2
# -Range: 0-300
3 HCO3- + UO2+ = UO2(CO3)3-5 + 3 H+
-llnl_gamma 4
log_k -23.6241
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(CO3)3-5
# Enthalpy of formation: -0 kcal/mol
3 HCO3- + UO2+2 = UO2(CO3)3-4 + 3 H+
-llnl_gamma 4
log_k -9.4302
-delta_H 4.9107 kJ/mol # Calculated enthalpy of reaction UO2(CO3)3-4
# Enthalpy of formation: -3083.89 kJ/mol
-analytic 3.7918e+2 1.1789e-1 -1.0233e+4 -1.5738e+2 -1.5978e+2
# -Range: 0-300
3 H+ + 2 HPO4-2 + UO2+2 = UO2(H2PO4)(H3PO4)+
-llnl_gamma 4
log_k 22.7537
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(H2PO4)(H3PO4)+
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + 2 H+ + UO2+2 = UO2(H2PO4)2
-llnl_gamma 3
log_k 21.7437
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(H2PO4)2
# Enthalpy of formation: -0 kcal/mol
2 IO3- + UO2+2 = UO2(IO3)2
-llnl_gamma 3
log_k 2.9969
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(IO3)2
# Enthalpy of formation: -0 kcal/mol
2 N3- + UO2+2 = UO2(N3)2
-llnl_gamma 3
log_k 4.3301
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)2
# Enthalpy of formation: -0 kcal/mol
3 N3- + UO2+2 = UO2(N3)3-
-llnl_gamma 4
log_k 5.7401
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)3-
# Enthalpy of formation: -0 kcal/mol
4 N3- + UO2+2 = UO2(N3)4-2
-llnl_gamma 4
log_k 4.92
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)4-2
# Enthalpy of formation: -0 kcal/mol
2 H2O + UO2+2 = UO2(OH)2 + 2 H+
-llnl_gamma 3
log_k -10.3146
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)2
# Enthalpy of formation: -0 kcal/mol
3 H2O + UO2+2 = UO2(OH)3- + 3 H+
-llnl_gamma 4
log_k -19.2218
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)3-
# Enthalpy of formation: -0 kcal/mol
4 H2O + UO2+2 = UO2(OH)4-2 + 4 H+
-llnl_gamma 4
log_k -33.0291
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)4-2
# Enthalpy of formation: -0 kcal/mol
2 Thiocyanate- + UO2+2 = UO2(Thiocyanate)2
-llnl_gamma 3
log_k 1.2401
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(Thiocyanate)2
# Enthalpy of formation: -857.3 kJ/mol
-analytic 9.4216e+1 3.284e-2 -2.4849e+3 -3.8162e+1 -4.2231e+1
# -Range: 0-200
3 Thiocyanate- + UO2+2 = UO2(Thiocyanate)3-
-llnl_gamma 4
log_k 2.1001
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(Thiocyanate)3-
# Enthalpy of formation: -783.8 kJ/mol
-analytic 1.6622e+1 2.2714e-2 4.9707e+2 -9.2785e+0 7.7512e+0
# -Range: 0-300
2 SO3-2 + UO2+2 = UO2(SO3)2-2
-llnl_gamma 4
log_k 7.9101
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(SO3)2-2
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + UO2+2 = UO2(SO4)2-2
-llnl_gamma 4
log_k 3.9806
-delta_H 35.6242 kJ/mol # Calculated enthalpy of reaction UO2(SO4)2-2
# Enthalpy of formation: -2802.58 kJ/mol
-analytic 3.9907e+2 1.3536e-1 -1.0813e+4 -1.613e+2 -1.6884e+2
# -Range: 0-300
UO2+2 + Br- = UO2Br+
-llnl_gamma 4
log_k 0.184
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2Br+
# Enthalpy of formation: -0 kcal/mol
UO2+2 + BrO3- = UO2BrO3+
-llnl_gamma 4
log_k 0.551
-delta_H 0.46952 kJ/mol # Calculated enthalpy of reaction UO2BrO3+
# Enthalpy of formation: -1085.6 kJ/mol
-analytic 8.2618e+1 2.6921e-2 -2.0144e+3 -3.3673e+1 -3.1457e+1
# -Range: 0-300
UO2+2 + HCO3- = UO2CO3 + H+
-llnl_gamma 3
log_k -0.6634
-delta_H 19.7032 kJ/mol # Calculated enthalpy of reaction UO2CO3
# Enthalpy of formation: -1689.23 kJ/mol
-analytic 7.3898e+1 2.8127e-2 -2.4347e+3 -3.0217e+1 -4.1371e+1
# -Range: 0-200
UO2+2 + Cl- = UO2Cl+
-llnl_gamma 4
log_k 0.1572
-delta_H 8.00167 kJ/mol # Calculated enthalpy of reaction UO2Cl+
# Enthalpy of formation: -1178.08 kJ/mol
-analytic 9.8139e+1 3.8869e-2 -2.3178e+3 -4.1133e+1 -3.6196e+1
# -Range: 0-300
2 Cl- + UO2+2 = UO2Cl2
-llnl_gamma 3
log_k -1.1253
-delta_H 15.0013 kJ/mol # Calculated enthalpy of reaction UO2Cl2
# Enthalpy of formation: -1338.16 kJ/mol
-analytic 3.4087e+1 1.384e-2 -1.3664e+3 -1.4043e+1 -2.3216e+1
# -Range: 0-200
UO2+2 + ClO3- = UO2ClO3+
-llnl_gamma 4
log_k 0.4919
-delta_H -3.9266 kJ/mol # Calculated enthalpy of reaction UO2ClO3+
# Enthalpy of formation: -1126.9 kJ/mol
-analytic 9.6263e+1 2.8926e-2 -2.3068e+3 -3.9057e+1 -3.6025e+1
# -Range: 0-300
UO2+2 + F- = UO2F+
-llnl_gamma 4
log_k 5.0502
-delta_H 1.6976 kJ/mol # Calculated enthalpy of reaction UO2F+
# Enthalpy of formation: -1352.65 kJ/mol
-analytic 1.1476e+2 4.0682e-2 -2.4467e+3 -4.5914e+1 -3.8212e+1
# -Range: 0-300
2 F- + UO2+2 = UO2F2
-llnl_gamma 3
log_k 8.5403
-delta_H 2.0962 kJ/mol # Calculated enthalpy of reaction UO2F2
# Enthalpy of formation: -1687.6 kJ/mol
-analytic 2.7673e+2 9.919e-2 -5.8371e+3 -1.1242e+2 -9.9219e+1
# -Range: 0-200
3 F- + UO2+2 = UO2F3-
-llnl_gamma 4
log_k 10.7806
-delta_H 2.3428 kJ/mol # Calculated enthalpy of reaction UO2F3-
# Enthalpy of formation: -2022.7 kJ/mol
-analytic 3.3383e+2 9.216e-2 -8.7975e+3 -1.2972e+2 -1.3738e+2
# -Range: 0-300
4 F- + UO2+2 = UO2F4-2
-llnl_gamma 4
log_k 11.5407
-delta_H 0.2814 kJ/mol # Calculated enthalpy of reaction UO2F4-2
# Enthalpy of formation: -2360.11 kJ/mol
-analytic 4.4324e+2 1.3808e-1 -1.0705e+4 -1.7657e+2 -1.6718e+2
# -Range: 0-300
UO2+2 + HPO4-2 + H+ = UO2H2PO4+
-llnl_gamma 4
log_k 11.6719
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2H2PO4+
# Enthalpy of formation: -0 kcal/mol
2 H+ + UO2+2 + HPO4-2 = UO2H3PO4+2
-llnl_gamma 4.5
log_k 11.3119
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2H3PO4+2
# Enthalpy of formation: -0 kcal/mol
UO2+2 + HPO4-2 = UO2HPO4
-llnl_gamma 3
log_k 8.4398
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2HPO4
# Enthalpy of formation: -0 kcal/mol
UO2+2 + IO3- = UO2IO3+
-llnl_gamma 4
log_k 1.7036
-delta_H 11.4336 kJ/mol # Calculated enthalpy of reaction UO2IO3+
# Enthalpy of formation: -1228.9 kJ/mol
-analytic 1.0428e+2 2.962e-2 -3.2441e+3 -4.0618e+1 -5.0651e+1
# -Range: 0-300
UO2+2 + N3- = UO2N3+
-llnl_gamma 4
log_k 2.5799
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2N3+
# Enthalpy of formation: -0 kcal/mol
UO2+2 + NO3- = UO2NO3+
-llnl_gamma 4
log_k 0.2805
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2NO3+
# Enthalpy of formation: -0 kcal/mol
UO2+2 + H2O = UO2OH+ + H+
-llnl_gamma 4
log_k -5.2073
-delta_H 43.1813 kJ/mol # Calculated enthalpy of reaction UO2OH+
# Enthalpy of formation: -1261.66 kJ/mol
-analytic 3.4387e+1 6.0811e-3 -3.3068e+3 -1.2252e+1 -5.1609e+1
# -Range: 0-300
UO2+2 + HPO4-2 = UO2PO4- + H+
-llnl_gamma 4
log_k 2.0798
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2PO4-
# Enthalpy of formation: -0 kcal/mol
#2.0000 SO3-- + 2.0000 H+ + 1.0000 UO2++ = UO2S2O3 +1.0000 H2O +1.0000 O2
#S2O3-- + O2 + H2O = 2.0000 H+ + 2.0000 SO3-- log_k 40.2906
S2O3-2 + UO2+2 = UO2S2O3
-llnl_gamma 3
# log_k -38.0666
log_k 2.224
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2S2O3
# Enthalpy of formation: -0 kcal/mol
UO2+2 + Thiocyanate- = UO2Thiocyanate+
-llnl_gamma 4
log_k 1.4
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2Thiocyanate+
# Enthalpy of formation: -939.38 kJ/mol
-analytic 4.7033e+0 1.2562e-2 4.9095e+2 -3.5097e+0 7.6593e+0
# -Range: 0-300
UO2+2 + SO3-2 = UO2SO3
-llnl_gamma 3
log_k 6.7532
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2SO3
# Enthalpy of formation: -0 kcal/mol
UO2+2 + SO4-2 = UO2SO4
-llnl_gamma 3
log_k 3.0703
-delta_H 19.7626 kJ/mol # Calculated enthalpy of reaction UO2SO4
# Enthalpy of formation: -1908.84 kJ/mol
-analytic 1.9514e+2 7.0951e-2 -4.9949e+3 -7.9394e+1 -8.4888e+1
# -Range: 0-200
U+4 + H2O = UOH+3 + H+
-llnl_gamma 5
log_k -0.5472
-delta_H 46.9183 kJ/mol # Calculated enthalpy of reaction UOH+3
# Enthalpy of formation: -830.12 kJ/mol
-analytic 4.0793e+1 1.3563e-3 -3.8441e+3 -1.1659e+1 -5.9996e+1
# -Range: 0-300
U+4 + Thiocyanate- = UThiocyanate+3
-llnl_gamma 5
log_k 2.97
-delta_H 0 # Not possible to calculate enthalpy of reaction UThiocyanate+3
# Enthalpy of formation: -541.8 kJ/mol
-analytic 4.0286e-1 1.5909e-2 2.3026e+3 -3.9973e+0 3.5929e+1
# -Range: 0-300
U+4 + SO4-2 = USO4+2
-llnl_gamma 4.5
log_k 6.5003
-delta_H 8.2616 kJ/mol # Calculated enthalpy of reaction USO4+2
# Enthalpy of formation: -1492.54 kJ/mol
-analytic 1.9418e+2 7.5458e-2 -4.0646e+3 -7.9416e+1 -6.3482e+1
# -Range: 0-300
2 H2O + V+3 = V(OH)2+ + 2 H+
-llnl_gamma 4
log_k -5.9193
-delta_H 0 # Not possible to calculate enthalpy of reaction V(OH)2+
# Enthalpy of formation: -0 kcal/mol
2 V+3 + 2 H2O = V2(OH)2+4 + 2 H+
-llnl_gamma 5.5
log_k -3.8
-delta_H 0 # Not possible to calculate enthalpy of reaction V2(OH)2+4
# Enthalpy of formation: -0 kcal/mol
2 H2O + VO2+ = VO(OH)3 + H+
-llnl_gamma 3
log_k -3.3
-delta_H 0 # Not possible to calculate enthalpy of reaction VO(OH)3
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + VO2+ = VO2(HPO4)2-3
-llnl_gamma 4
log_k 8.6
-delta_H 0 # Not possible to calculate enthalpy of reaction VO2(HPO4)2-3
# Enthalpy of formation: -0 kcal/mol
2 H2O + VO2+ = VO2(OH)2- + 2 H+
-llnl_gamma 4
log_k -7.3
-delta_H 0 # Not possible to calculate enthalpy of reaction VO2(OH)2-
# Enthalpy of formation: -0 kcal/mol
VO2+ + F- = VO2F
-llnl_gamma 3
log_k 3.35
-delta_H 0 # Not possible to calculate enthalpy of reaction VO2F
# Enthalpy of formation: -0 kcal/mol
2 F- + VO2+ = VO2F2-
-llnl_gamma 4
log_k 5.81
-delta_H 0 # Not possible to calculate enthalpy of reaction VO2F2-
# Enthalpy of formation: -0 kcal/mol
VO2+ + HPO4-2 + H+ = VO2H2PO4
-llnl_gamma 3
log_k 1.68
-delta_H 0 # Not possible to calculate enthalpy of reaction VO2H2PO4
# Enthalpy of formation: -0 kcal/mol
VO2+ + HPO4-2 = VO2HPO4-
-llnl_gamma 4
log_k 5.83
-delta_H 0 # Not possible to calculate enthalpy of reaction VO2HPO4-
# Enthalpy of formation: -0 kcal/mol
VO2+ + SO4-2 = VO2SO4-
-llnl_gamma 4
log_k 1.58
-delta_H 0 # Not possible to calculate enthalpy of reaction VO2SO4-
# Enthalpy of formation: -0 kcal/mol
VO4-3 + H+ = VO3OH-2
-llnl_gamma 4
log_k 14.26
-delta_H 0 # Not possible to calculate enthalpy of reaction VO3OH-2
# Enthalpy of formation: -0 kcal/mol
VO+2 + F- = VOF+
-llnl_gamma 4
log_k 4
-delta_H 0 # Not possible to calculate enthalpy of reaction VOF+
# Enthalpy of formation: -0 kcal/mol
2 F- + VO+2 = VOF2
-llnl_gamma 3
log_k 6.78
-delta_H 0 # Not possible to calculate enthalpy of reaction VOF2
# Enthalpy of formation: -0 kcal/mol
V+3 + H2O = VOH+2 + H+
-llnl_gamma 4.5
log_k -2.26
-delta_H 0 # Not possible to calculate enthalpy of reaction VOH+2
# Enthalpy of formation: -0 kcal/mol
VO+2 + H2O = VOOH+ + H+
-llnl_gamma 4
log_k -5.67
-delta_H 0 # Not possible to calculate enthalpy of reaction VOOH+
# Enthalpy of formation: -0 kcal/mol
VO+2 + SO4-2 = VOSO4
-llnl_gamma 3
log_k 2.48
-delta_H 0 # Not possible to calculate enthalpy of reaction VOSO4
# Enthalpy of formation: -0 kcal/mol
V+3 + SO4-2 = VSO4+
-llnl_gamma 4
log_k 3.33
-delta_H 0 # Not possible to calculate enthalpy of reaction VSO4+
# Enthalpy of formation: -0 kcal/mol
2 HAcetate + Y+3 = Y(Acetate)2+ + 2 H+
-llnl_gamma 4
log_k -4.9844
-delta_H -34.8109 kJ/mol # Calculated enthalpy of reaction Y(Acetate)2+
# Enthalpy of formation: -411.42 kcal/mol
-analytic -3.3011e+1 6.1979e-4 -7.7468e+2 9.638e+0 5.8814e+5
# -Range: 0-300
3 HAcetate + Y+3 = Y(Acetate)3 + 3 H+
-llnl_gamma 3
log_k -8.3783
-delta_H -58.4505 kJ/mol # Calculated enthalpy of reaction Y(Acetate)3
# Enthalpy of formation: -533.17 kcal/mol
-analytic -3.0086e+1 4.0213e-3 -1.1444e+3 6.1794e+0 8.0827e+5
# -Range: 0-300
2 HCO3- + Y+3 = Y(CO3)2- + 2 H+
-llnl_gamma 4
log_k -7.3576
-delta_H 0 # Not possible to calculate enthalpy of reaction Y(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Y+3 = Y(HPO4)2-
-llnl_gamma 4
log_k 9.9
-delta_H 0 # Not possible to calculate enthalpy of reaction Y(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2 H2O + Y+3 = Y(OH)2+ + 2 H+
-llnl_gamma 4
log_k -16.3902
-delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)2+
# Enthalpy of formation: -0 kcal/mol
3 H2O + Y+3 = Y(OH)3 + 3 H+
-llnl_gamma 3
log_k -25.9852
-delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)3
# Enthalpy of formation: -0 kcal/mol
4 H2O + Y+3 = Y(OH)4- + 4 H+
-llnl_gamma 4
log_k -36.4803
-delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)4-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Y+3 = Y(PO4)2-3 + 2 H+
-llnl_gamma 4
log_k -3.2437
-delta_H 0 # Not possible to calculate enthalpy of reaction Y(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Y+3 = Y(SO4)2-
-llnl_gamma 4
log_k 4.9
-delta_H 0 # Not possible to calculate enthalpy of reaction Y(SO4)2-
# Enthalpy of formation: -0 kcal/mol
2 Y+3 + 2 H2O = Y2(OH)2+4 + 2 H+
-llnl_gamma 5.5
log_k -14.1902
-delta_H 0 # Not possible to calculate enthalpy of reaction Y2(OH)2+4
# Enthalpy of formation: -0 kcal/mol
Y+3 + HAcetate = YAcetate+2 + H+
-llnl_gamma 4.5
log_k -2.1184
-delta_H -17.2799 kJ/mol # Calculated enthalpy of reaction YAcetate+2
# Enthalpy of formation: -291.13 kcal/mol
-analytic -1.208e+1 1.2015e-3 -8.4186e+2 3.4522e+0 3.4647e+5
# -Range: 0-300
Y+3 + HCO3- = YCO3+ + H+
-llnl_gamma 4
log_k -2.2788
-delta_H 0 # Not possible to calculate enthalpy of reaction YCO3+
# Enthalpy of formation: -0 kcal/mol
Y+3 + Cl- = YCl+2
-llnl_gamma 4.5
log_k 0.3
-delta_H 0 # Not possible to calculate enthalpy of reaction YCl+2
# Enthalpy of formation: -0 kcal/mol
Y+3 + F- = YF+2
-llnl_gamma 4.5
log_k 4.3
-delta_H 0 # Not possible to calculate enthalpy of reaction YF+2
# Enthalpy of formation: -0 kcal/mol
2 F- + Y+3 = YF2+
-llnl_gamma 4
log_k 7.8
-delta_H 0 # Not possible to calculate enthalpy of reaction YF2+
# Enthalpy of formation: -0 kcal/mol
3 F- + Y+3 = YF3
-llnl_gamma 3
log_k 11.2
-delta_H 0 # Not possible to calculate enthalpy of reaction YF3
# Enthalpy of formation: -0 kcal/mol
Y+3 + HPO4-2 + H+ = YH2PO4+2
-llnl_gamma 4.5
log_k 9.6054
-delta_H 0 # Not possible to calculate enthalpy of reaction YH2PO4+2
# Enthalpy of formation: -0 kcal/mol
Y+3 + HCO3- = YHCO3+2
-llnl_gamma 4.5
log_k 2.3
-delta_H 0 # Not possible to calculate enthalpy of reaction YHCO3+2
# Enthalpy of formation: -0 kcal/mol
Y+3 + HPO4-2 = YHPO4+
-llnl_gamma 4
log_k 5.9
-delta_H 0 # Not possible to calculate enthalpy of reaction YHPO4+
# Enthalpy of formation: -0 kcal/mol
Y+3 + NO3- = YNO3+2
-llnl_gamma 4.5
log_k 0.4
-delta_H 0 # Not possible to calculate enthalpy of reaction YNO3+2
# Enthalpy of formation: -0 kcal/mol
Y+3 + H2O = YOH+2 + H+
-llnl_gamma 4.5
log_k -7.6951
-delta_H 0 # Not possible to calculate enthalpy of reaction YOH+2
# Enthalpy of formation: -0 kcal/mol
Y+3 + HPO4-2 = YPO4 + H+
-llnl_gamma 3
log_k 0.2782
-delta_H 0 # Not possible to calculate enthalpy of reaction YPO4
# Enthalpy of formation: -0 kcal/mol
Y+3 + SO4-2 = YSO4+
-llnl_gamma 4
log_k 3.4
-delta_H 0 # Not possible to calculate enthalpy of reaction YSO4+
# Enthalpy of formation: -0 kcal/mol
2 HAcetate + Yb+3 = Yb(Acetate)2+ + 2 H+
-llnl_gamma 4
log_k -5.131
-delta_H -30.334 kJ/mol # Calculated enthalpy of reaction Yb(Acetate)2+
# Enthalpy of formation: -399.75 kcal/mol
-analytic -3.4286e+1 9.4069e-4 -6.512e+2 1.0071e+1 5.4773e+5
# -Range: 0-300
3 HAcetate + Yb+3 = Yb(Acetate)3 + 3 H+
-llnl_gamma 3
log_k -8.5688
-delta_H -51.4214 kJ/mol # Calculated enthalpy of reaction Yb(Acetate)3
# Enthalpy of formation: -520.89 kcal/mol
-analytic -6.2211e+1 -6.1589e-4 5.9577e+2 1.7954e+1 6.6116e+5
# -Range: 0-300
2 HCO3- + Yb+3 = Yb(CO3)2- + 2 H+
-llnl_gamma 4
log_k -7.0576
-delta_H 0 # Not possible to calculate enthalpy of reaction Yb(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Yb+3 = Yb(HPO4)2-
-llnl_gamma 4
log_k 10.2
-delta_H 0 # Not possible to calculate enthalpy of reaction Yb(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
# Redundant with YbO2-
#4.0000 H2O + 1.0000 Yb+++ = Yb(OH)4- +4.0000 H+
# -llnl_gamma 4.0
# log_k -32.6803
# -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)4-
## Enthalpy of formation: -0 kcal/mol
2 HPO4-2 + Yb+3 = Yb(PO4)2-3 + 2 H+
-llnl_gamma 4
log_k -2.7437
-delta_H 0 # Not possible to calculate enthalpy of reaction Yb(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Yb+3 = Yb(SO4)2-
-llnl_gamma 4
log_k 5.1
-delta_H 0 # Not possible to calculate enthalpy of reaction Yb(SO4)2-
# Enthalpy of formation: -0 kcal/mol
Yb+3 + HAcetate = YbAcetate+2 + H+
-llnl_gamma 4.5
log_k -2.199
-delta_H -15.2298 kJ/mol # Calculated enthalpy of reaction YbAcetate+2
# Enthalpy of formation: -280.04 kcal/mol
-analytic -8.5003e+0 2.2459e-3 -9.6434e+2 2.063e+0 3.355e+5
# -Range: 0-300
Yb+3 + HCO3- = YbCO3+ + H+
-llnl_gamma 4
log_k -2.0392
-delta_H 82.8348 kJ/mol # Calculated enthalpy of reaction YbCO3+
# Enthalpy of formation: -305.4 kcal/mol
-analytic 2.3533e+2 5.4436e-2 -6.7871e+3 -9.328e+1 -1.0598e+2
# -Range: 0-300
Yb+3 + Cl- = YbCl+2
-llnl_gamma 4.5
log_k 0.162
-delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction YbCl+2
# Enthalpy of formation: -196.9 kcal/mol
-analytic 8.0452e+1 3.8343e-2 -1.8176e+3 -3.4594e+1 -2.8386e+1
# -Range: 0-300
2 Cl- + Yb+3 = YbCl2+
-llnl_gamma 4
log_k -0.2624
-delta_H 17.4305 kJ/mol # Calculated enthalpy of reaction YbCl2+
# Enthalpy of formation: -236 kcal/mol
-analytic 2.1708e+2 8.055e-2 -5.4744e+3 -9.0101e+1 -8.5487e+1
# -Range: 0-300
3 Cl- + Yb+3 = YbCl3
-llnl_gamma 3
log_k -0.7601
-delta_H 8.36382 kJ/mol # Calculated enthalpy of reaction YbCl3
# Enthalpy of formation: -278.1 kcal/mol
-analytic 4.0887e+2 1.2992e-1 -1.0578e+4 -1.6684e+2 -1.6518e+2
# -Range: 0-300
4 Cl- + Yb+3 = YbCl4-
-llnl_gamma 4
log_k -1.1845
-delta_H -15.7653 kJ/mol # Calculated enthalpy of reaction YbCl4-
# Enthalpy of formation: -323.8 kcal/mol
-analytic 4.756e+2 1.3032e-1 -1.2452e+4 -1.9149e+2 -1.9444e+2
# -Range: 0-300
Yb+3 + F- = YbF+2
-llnl_gamma 4.5
log_k 4.8085
-delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction YbF+2
# Enthalpy of formation: -234.9 kcal/mol
-analytic 1.0291e+2 4.2493e-2 -2.7637e+3 -4.1008e+1 -4.3156e+1
# -Range: 0-300
2 F- + Yb+3 = YbF2+
-llnl_gamma 4
log_k 8.3709
-delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction YbF2+
# Enthalpy of formation: -317.7 kcal/mol
-analytic 2.4281e+2 8.5385e-2 -5.69e+3 -9.7299e+1 -8.8859e+1
# -Range: 0-300
3 F- + Yb+3 = YbF3
-llnl_gamma 3
log_k 11.0537
-delta_H -13.1796 kJ/mol # Calculated enthalpy of reaction YbF3
# Enthalpy of formation: -403.9 kcal/mol
-analytic 4.5227e+2 1.3659e-1 -1.0595e+4 -1.8038e+2 -1.6546e+2
# -Range: 0-300
4 F- + Yb+3 = YbF4-
-llnl_gamma 4
log_k 13.2234
-delta_H -60.2496 kJ/mol # Calculated enthalpy of reaction YbF4-
# Enthalpy of formation: -495.3 kcal/mol
-analytic 5.0369e+2 1.3726e-1 -1.0671e+4 -2.0026e+2 -1.6666e+2
# -Range: 0-300
Yb+3 + HPO4-2 + H+ = YbH2PO4+2
-llnl_gamma 4.5
log_k 9.5217
-delta_H -20.0204 kJ/mol # Calculated enthalpy of reaction YbH2PO4+2
# Enthalpy of formation: -473.9 kcal/mol
-analytic 1.0919e+2 6.3749e-2 3.8909e+2 -4.8469e+1 6.0389e+0
# -Range: 0-300
Yb+3 + HCO3- = YbHCO3+2
-llnl_gamma 4.5
log_k 1.8398
-delta_H 5.43083 kJ/mol # Calculated enthalpy of reaction YbHCO3+2
# Enthalpy of formation: -323.9 kcal/mol
-analytic 3.9175e+1 3.1796e-2 6.9728e+1 -1.9002e+1 1.0762e+0
# -Range: 0-300
Yb+3 + HPO4-2 = YbHPO4+
-llnl_gamma 4
log_k 6
-delta_H 0 # Not possible to calculate enthalpy of reaction YbHPO4+
# Enthalpy of formation: -0 kcal/mol
Yb+3 + NO3- = YbNO3+2
-llnl_gamma 4.5
log_k 0.2148
-delta_H -32.9323 kJ/mol # Calculated enthalpy of reaction YbNO3+2
# Enthalpy of formation: -217.6 kcal/mol
-analytic 1.7237e+1 2.5684e-2 2.2806e+3 -1.3055e+1 3.5581e+1
# -Range: 0-300
Yb+3 + H2O = YbO+ + 2 H+
-llnl_gamma 4
log_k -15.7506
-delta_H 105.508 kJ/mol # Calculated enthalpy of reaction YbO+
# Enthalpy of formation: -203.4 kcal/mol
-analytic 1.7675e+2 2.9078e-2 -1.3106e+4 -6.3534e+1 -2.0456e+2
# -Range: 0-300
2 H2O + Yb+3 = YbO2- + 4 H+
-llnl_gamma 4
log_k -32.6741
-delta_H 267.918 kJ/mol # Calculated enthalpy of reaction YbO2-
# Enthalpy of formation: -232.9 kcal/mol
-analytic 1.5529e+2 1.0053e-2 -1.8749e+4 -5.1764e+1 -2.926e+2
# -Range: 0-300
2 H2O + Yb+3 = YbO2H + 3 H+
-llnl_gamma 3
log_k -23.878
-delta_H 211.016 kJ/mol # Calculated enthalpy of reaction YbO2H
# Enthalpy of formation: -246.5 kcal/mol
-analytic 3.2148e+2 4.4821e-2 -2.1971e+4 -1.1519e+2 -3.4293e+2
# -Range: 0-300
Yb+3 + H2O = YbOH+2 + H+
-llnl_gamma 4.5
log_k -7.6143
-delta_H 74.9647 kJ/mol # Calculated enthalpy of reaction YbOH+2
# Enthalpy of formation: -210.7 kcal/mol
-analytic 5.8142e+1 1.1402e-2 -5.6488e+3 -2.0289e+1 -8.816e+1
# -Range: 0-300
Yb+3 + HPO4-2 = YbPO4 + H+
-llnl_gamma 3
log_k 0.5782
-delta_H 0 # Not possible to calculate enthalpy of reaction YbPO4
# Enthalpy of formation: -0 kcal/mol
Yb+3 + SO4-2 = YbSO4+
-llnl_gamma 4
log_k 3.5697
-delta_H 1424.65 kJ/mol # Calculated enthalpy of reaction YbSO4+
# Enthalpy of formation: -37.2 kcal/mol
-analytic 3.0675e+2 8.6527e-2 -9.0298e+3 -1.2069e+2 -1.4099e+2
# -Range: 0-300
2 HAcetate + Zn+2 = Zn(Acetate)2 + 2 H+
-llnl_gamma 3
log_k -6.062
-delta_H -11.0458 kJ/mol # Calculated enthalpy of reaction Zn(Acetate)2
# Enthalpy of formation: -271.5 kcal/mol
-analytic -2.2038e+1 2.6133e-3 -2.7652e+3 6.8501e+0 6.7086e+5
# -Range: 0-300
3 HAcetate + Zn+2 = Zn(Acetate)3- + 3 H+
-llnl_gamma 4
log_k -10.0715
-delta_H 25.355 kJ/mol # Calculated enthalpy of reaction Zn(Acetate)3-
# Enthalpy of formation: -378.9 kcal/mol
-analytic 3.5104e+1 -6.1568e-3 -1.3379e+4 -8.7697e+0 2.067e+6
# -Range: 0-300
4 Cyanide- + Zn+2 = Zn(Cyanide)4-2
-llnl_gamma 4
log_k 16.704
-delta_H -107.305 kJ/mol # Calculated enthalpy of reaction Zn(Cyanide)4-2
# Enthalpy of formation: 341.806 kJ/mol
-analytic 3.6586e+2 1.2655e-1 -2.9546e+3 -1.5232e+2 -4.6213e+1
# -Range: 0-300
2 N3- + Zn+2 = Zn(N3)2
-llnl_gamma 3
log_k 1.1954
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(N3)2
# Enthalpy of formation: -0 kcal/mol
Zn+2 + NH3 = Zn(NH3)+2
-llnl_gamma 4.5
log_k 2.0527
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)+2
# Enthalpy of formation: -0 kcal/mol
2 NH3 + Zn+2 = Zn(NH3)2+2
-llnl_gamma 4.5
log_k 4.259
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)2+2
# Enthalpy of formation: -0 kcal/mol
3 NH3 + Zn+2 = Zn(NH3)3+2
-llnl_gamma 4.5
log_k 6.4653
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)3+2
# Enthalpy of formation: -0 kcal/mol
4 NH3 + Zn+2 = Zn(NH3)4+2
-llnl_gamma 4.5
log_k 8.3738
-delta_H -54.9027 kJ/mol # Calculated enthalpy of reaction Zn(NH3)4+2
# Enthalpy of formation: -533.636 kJ/mol
-analytic 1.5851e+2 -6.3376e-3 -4.6783e+3 -5.356e+1 -7.3047e+1
# -Range: 0-300
2 H2O + Zn+2 = Zn(OH)2 + 2 H+
-llnl_gamma 3
log_k -17.3282
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)2
# Enthalpy of formation: -0 kcal/mol
3 H2O + Zn+2 = Zn(OH)3- + 3 H+
-llnl_gamma 4
log_k -28.8369
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)3-
# Enthalpy of formation: -0 kcal/mol
4 H2O + Zn+2 = Zn(OH)4-2 + 4 H+
-llnl_gamma 4
log_k -41.6052
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)4-2
# Enthalpy of formation: -0 kcal/mol
Zn+2 + H2O + Cl- = Zn(OH)Cl + H+
-llnl_gamma 3
log_k -7.5417
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)Cl
# Enthalpy of formation: -0 kcal/mol
2 Thiocyanate- + Zn+2 = Zn(Thiocyanate)2
-llnl_gamma 3
log_k 0.88
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(Thiocyanate)2
# Enthalpy of formation: -0 kcal/mol
4 Thiocyanate- + Zn+2 = Zn(Thiocyanate)4-2
-llnl_gamma 4
log_k 1.2479
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(Thiocyanate)4-2
# Enthalpy of formation: -0 kcal/mol
Zn+2 + Br- = ZnBr+
-llnl_gamma 4
log_k -0.6365
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr+
# Enthalpy of formation: -0 kcal/mol
2 Br- + Zn+2 = ZnBr2
-llnl_gamma 3
log_k -1.0492
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr2
# Enthalpy of formation: -0 kcal/mol
3 Br- + Zn+2 = ZnBr3-
-llnl_gamma 4
log_k -1.8474
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr3-
# Enthalpy of formation: -0 kcal/mol
Zn+2 + HAcetate = ZnAcetate+ + H+
-llnl_gamma 4
log_k -3.1519
-delta_H -9.87424 kJ/mol # Calculated enthalpy of reaction ZnAcetate+
# Enthalpy of formation: -155.12 kcal/mol
-analytic -7.9367e+0 2.8564e-3 -1.4514e+3 2.501e+0 2.3343e+5
# -Range: 0-300
Zn+2 + HCO3- = ZnCO3 + H+
-llnl_gamma 3
log_k -6.4288
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnCO3
# Enthalpy of formation: -0 kcal/mol
Zn+2 + Cl- = ZnCl+
-llnl_gamma 4
log_k 0.1986
-delta_H 43.317 kJ/mol # Calculated enthalpy of reaction ZnCl+
# Enthalpy of formation: -66.24 kcal/mol
-analytic 1.1235e+2 4.4461e-2 -4.1662e+3 -4.5023e+1 -6.5042e+1
# -Range: 0-300
2 Cl- + Zn+2 = ZnCl2
-llnl_gamma 3
log_k 0.2507
-delta_H 31.1541 kJ/mol # Calculated enthalpy of reaction ZnCl2
# Enthalpy of formation: -109.08 kcal/mol
-analytic 1.7824e+2 7.5733e-2 -4.6251e+3 -7.477e+1 -7.2224e+1
# -Range: 0-300
3 Cl- + Zn+2 = ZnCl3-
-llnl_gamma 4
log_k -0.0198
-delta_H 22.5894 kJ/mol # Calculated enthalpy of reaction ZnCl3-
# Enthalpy of formation: -151.06 kcal/mol
-analytic 1.3889e+2 7.4712e-2 -2.1527e+3 -6.22e+1 -3.3633e+1
# -Range: 0-300
4 Cl- + Zn+2 = ZnCl4-2
-llnl_gamma 4
log_k 0.8605
-delta_H 4.98733 kJ/mol # Calculated enthalpy of reaction ZnCl4-2
# Enthalpy of formation: -195.2 kcal/mol
-analytic 8.4294e+1 7.0021e-2 3.915e+2 -4.2664e+1 6.0834e+0
# -Range: 0-300
Zn+2 + ClO4- = ZnClO4+
-llnl_gamma 4
log_k 1.2768
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnClO4+
# Enthalpy of formation: -0 kcal/mol
Zn+2 + F- = ZnF+
-llnl_gamma 4
log_k 1.15
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnF+
# Enthalpy of formation: -0 kcal/mol
Zn+2 + HPO4-2 + H+ = ZnH2PO4+
-llnl_gamma 4
log_k 0.43
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnH2PO4+
# Enthalpy of formation: -0 kcal/mol
Zn+2 + HCO3- = ZnHCO3+
-llnl_gamma 4
log_k 1.42
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnHCO3+
# Enthalpy of formation: -0 kcal/mol
-analytic 5.1115e+2 1.2911e-1 -1.5292e+4 -2.0083e+2 -2.2721e+2
# -Range: 25-300
Zn+2 + HPO4-2 = ZnHPO4
-llnl_gamma 3
log_k 3.26
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnHPO4
# Enthalpy of formation: -0 kcal/mol
Zn+2 + I- = ZnI+
-llnl_gamma 4
log_k -3.0134
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnI+
# Enthalpy of formation: -0 kcal/mol
2 I- + Zn+2 = ZnI2
-llnl_gamma 3
log_k -1.8437
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnI2
# Enthalpy of formation: -0 kcal/mol
3 I- + Zn+2 = ZnI3-
-llnl_gamma 4
log_k -2.0054
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnI3-
# Enthalpy of formation: -0 kcal/mol
4 I- + Zn+2 = ZnI4-2
-llnl_gamma 4
log_k -2.6052
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnI4-2
# Enthalpy of formation: -0 kcal/mol
Zn+2 + N3- = ZnN3+
-llnl_gamma 4
log_k 0.442
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnN3+
# Enthalpy of formation: -0 kcal/mol
Zn+2 + H2O = ZnOH+ + H+
-llnl_gamma 4
log_k -8.96
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnOH+
# Enthalpy of formation: -0 kcal/mol
-analytic -7.86e-1 -2.9499e-4 -2.8673e+3 6.1892e-1 -4.2576e+1
# -Range: 25-300
Zn+2 + HPO4-2 = ZnPO4- + H+
-llnl_gamma 4
log_k -4.3018
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnPO4-
# Enthalpy of formation: -0 kcal/mol
Zn+2 + SO4-2 = ZnSO4
-llnl_gamma 3
log_k 2.3062
-delta_H 15.277 kJ/mol # Calculated enthalpy of reaction ZnSO4
# Enthalpy of formation: -1047.71 kJ/mol
-analytic 1.364e+2 5.1256e-2 -3.4422e+3 -5.5695e+1 -5.8501e+1
# -Range: 0-200
Zn+2 + SeO4-2 = ZnSeO4
-llnl_gamma 3
log_k 2.19
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnSeO4
# Enthalpy of formation: -0 kcal/mol
3 H2O + Zr+4 = Zr(OH)3+ + 3 H+
-llnl_gamma 4
log_k -0.6693
-delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)3+
# Enthalpy of formation: -0 kcal/mol
4 H2O + Zr+4 = Zr(OH)4 + 4 H+
-llnl_gamma 3
log_k -1.4666
-delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)4
# Enthalpy of formation: -0 kcal/mol
5 H2O + Zr+4 = Zr(OH)5- + 5 H+
-llnl_gamma 4
log_k -15.9754
-delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)5-
# Enthalpy of formation: -0 kcal/mol
2 SO4-2 + Zr+4 = Zr(SO4)2
-llnl_gamma 3
log_k 6.2965
-delta_H 0 # Not possible to calculate enthalpy of reaction Zr(SO4)2
# Enthalpy of formation: -0 kcal/mol
3 SO4-2 + Zr+4 = Zr(SO4)3-2
-llnl_gamma 4
log_k 7.3007
-delta_H 0 # Not possible to calculate enthalpy of reaction Zr(SO4)3-2
# Enthalpy of formation: -0 kcal/mol
4 H2O + 3 Zr+4 = Zr3(OH)4+8 + 4 H+
-llnl_gamma 6
log_k -0.5803
-delta_H 0 # Not possible to calculate enthalpy of reaction Zr3(OH)4+8
# Enthalpy of formation: -0 kcal/mol
8 H2O + 4 Zr+4 = Zr4(OH)8+8 + 8 H+
-llnl_gamma 6
log_k -5.9606
-delta_H 0 # Not possible to calculate enthalpy of reaction Zr4(OH)8+8
# Enthalpy of formation: -0 kcal/mol
Zr+4 + F- = ZrF+3
-llnl_gamma 5
log_k 8.5835
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF+3
# Enthalpy of formation: -0 kcal/mol
2 F- + Zr+4 = ZrF2+2
-llnl_gamma 4.5
log_k 15.7377
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF2+2
# Enthalpy of formation: -0 kcal/mol
3 F- + Zr+4 = ZrF3+
-llnl_gamma 4
log_k 21.2792
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF3+
# Enthalpy of formation: -0 kcal/mol
4 F- + Zr+4 = ZrF4
-llnl_gamma 3
log_k 25.9411
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4
# Enthalpy of formation: -0 kcal/mol
5 F- + Zr+4 = ZrF5-
-llnl_gamma 4
log_k 30.3098
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF5-
# Enthalpy of formation: -0 kcal/mol
6 F- + Zr+4 = ZrF6-2
-llnl_gamma 4
log_k 34.0188
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF6-2
# Enthalpy of formation: -0 kcal/mol
Zr+4 + H2O = ZrOH+3 + H+
-llnl_gamma 5
log_k 0.0457
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrOH+3
# Enthalpy of formation: -0 kcal/mol
Zr+4 + SO4-2 = ZrSO4+2
-llnl_gamma 4.5
log_k 3.6064
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrSO4+2
# Enthalpy of formation: -0 kcal/mol
2 H+ + O_phthalate-2 = H2O_phthalate
-llnl_gamma 3
log_k 8.358
-delta_H 0 # Not possible to calculate enthalpy of reaction H2O_phthalate
# Enthalpy of formation: -0 kcal/mol
PHASES
# 1122 minerals
(UO2)2As2O7
(UO2)2As2O7 + 2 H+ + H2O = 2 H2AsO4- + 2 UO2+2
log_k 7.7066
-delta_H -145.281 kJ/mol # Calculated enthalpy of reaction (UO2)2As2O7
# Enthalpy of formation: -3426 kJ/mol
-analytic -1.6147e+2 -6.3487e-2 1.0052e+4 6.2384e+1 1.5691e+2
# -Range: 0-300
(UO2)2Cl3
(UO2)2Cl3 = UO2+ + UO2+2 + 3 Cl-
log_k 12.7339
-delta_H -140.866 kJ/mol # Calculated enthalpy of reaction (UO2)2Cl3
# Enthalpy of formation: -2404.5 kJ/mol
-analytic -2.3895e+2 -9.2925e-2 1.1722e+4 9.6999e+1 1.8298e+2
# -Range: 0-300
(UO2)2P2O7
(UO2)2P2O7 + H2O = 2 HPO4-2 + 2 UO2+2
log_k -14.6827
-delta_H -103.726 kJ/mol # Calculated enthalpy of reaction (UO2)2P2O7
# Enthalpy of formation: -4232.6 kJ/mol
-analytic -3.4581e+2 -1.3987e-1 1.0703e+4 1.3613e+2 1.6712e+2
# -Range: 0-300
(UO2)3(AsO4)2
(UO2)3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 UO2+2
log_k 9.3177
-delta_H -186.72 kJ/mol # Calculated enthalpy of reaction (UO2)3(AsO4)2
# Enthalpy of formation: -4689.4 kJ/mol
-analytic -1.9693e+2 -7.3236e-2 1.2936e+4 7.4631e+1 2.0192e+2
# -Range: 0-300
(UO2)3(PO4)2
(UO2)3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 UO2+2
log_k -14.0241
-delta_H -149.864 kJ/mol # Calculated enthalpy of reaction (UO2)3(PO4)2
# Enthalpy of formation: -5491.3 kJ/mol
-analytic -3.6664e+2 -1.4347e-1 1.3486e+4 1.4148e+2 2.1054e+2
# -Range: 0-300
(UO2)3(PO4)2:4H2O
(UO2)3(PO4)2:4H2O + 2 H+ = 2 HPO4-2 + 3 UO2+2 + 4 H2O
log_k -27.0349
-delta_H -45.4132 kJ/mol # Calculated enthalpy of reaction (UO2)3(PO4)2:4H2O
# Enthalpy of formation: -6739.1 kJ/mol
-analytic -1.5721e+2 -4.1375e-2 5.2046e+3 5.0531e+1 8.8434e+1
# -Range: 0-200
(VO)3(PO4)2
(VO)3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 VO+2
log_k 48.7864
-delta_H 0 # Not possible to calculate enthalpy of reaction (VO)3(PO4)2
# Enthalpy of formation: 0 kcal/mol
Acanthite
Ag2S + H+ = HS- + 2 Ag+
log_k -36.0346
-delta_H 226.982 kJ/mol # Calculated enthalpy of reaction Acanthite
# Enthalpy of formation: -7.55 kcal/mol
-analytic -1.6067e+2 -4.7139e-2 -7.4522e+3 6.614e+1 -1.1624e+2
# -Range: 0-300
Afwillite
Ca3Si2O4(OH)6 + 6 H+ = 2 SiO2 + 3 Ca+2 + 6 H2O
log_k 60.0452
-delta_H -316.059 kJ/mol # Calculated enthalpy of reaction Afwillite
# Enthalpy of formation: -1143.31 kcal/mol
-analytic 1.8353e+1 1.9014e-3 1.8478e+4 -6.6311e+0 -4.0227e+5
# -Range: 0-300
Ag
Ag + H+ + 0.25 O2 = 0.5 H2O + Ag+
log_k 7.9937
-delta_H -34.1352 kJ/mol # Calculated enthalpy of reaction Ag
# Enthalpy of formation: 0 kcal/mol
-analytic -1.4144e+1 -3.8466e-3 2.2642e+3 6.3388e+0 3.5334e+1
# -Range: 0-300
Ag3PO4
Ag3PO4 + H+ = HPO4-2 + 3 Ag+
log_k -5.2282
-delta_H 0 # Not possible to calculate enthalpy of reaction Ag3PO4
# Enthalpy of formation: 0 kcal/mol
Ahlfeldite
NiSeO3:2H2O = Ni+2 + SeO3-2 + 2 H2O
log_k -4.4894
-delta_H -25.7902 kJ/mol # Calculated enthalpy of reaction Ahlfeldite
# Enthalpy of formation: -265.07 kcal/mol
-analytic -2.621e+1 -1.6952e-2 1.0405e+3 9.4054e+0 1.7678e+1
# -Range: 0-200
Akermanite
Ca2MgSi2O7 + 6 H+ = Mg+2 + 2 Ca+2 + 2 SiO2 + 3 H2O
log_k 45.319
-delta_H -288.575 kJ/mol # Calculated enthalpy of reaction Akermanite
# Enthalpy of formation: -926.497 kcal/mol
-analytic -4.8295e+1 -8.5613e-3 2.088e+4 1.3798e+1 -7.1975e+5
# -Range: 0-300
Al
Al + 3 H+ + 0.75 O2 = Al+3 + 1.5 H2O
log_k 149.9292
-delta_H -958.059 kJ/mol # Calculated enthalpy of reaction Al
# Enthalpy of formation: 0 kJ/mol
-analytic -1.8752e+2 -4.6187e-2 5.7127e+4 6.627e+1 -3.8952e+5
# -Range: 0-300
Al2(SO4)3
Al2(SO4)3 = 2 Al+3 + 3 SO4-2
log_k 19.0535
-delta_H -364.566 kJ/mol # Calculated enthalpy of reaction Al2(SO4)3
# Enthalpy of formation: -3441.04 kJ/mol
-analytic -6.1001e+2 -2.4268e-1 2.9194e+4 2.4383e+2 4.5573e+2
# -Range: 0-300
Al2(SO4)3:6H2O
Al2(SO4)3:6H2O = 2 Al+3 + 3 SO4-2 + 6 H2O
log_k 1.6849
-delta_H -208.575 kJ/mol # Calculated enthalpy of reaction Al2(SO4)3:6H2O
# Enthalpy of formation: -5312.06 kJ/mol
-analytic -7.1642e+2 -2.4552e-1 2.6064e+4 2.8441e+2 4.0691e+2
# -Range: 0-300
AlF3
AlF3 = Al+3 + 3 F-
log_k -17.2089
-delta_H -34.0441 kJ/mol # Calculated enthalpy of reaction AlF3
# Enthalpy of formation: -1510.4 kJ/mol
-analytic -3.9865e+2 -1.3388e-1 1.0211e+4 1.5642e+2 1.5945e+2
# -Range: 0-300
Alabandite
MnS + H+ = HS- + Mn+2
log_k -0.3944
-delta_H -23.3216 kJ/mol # Calculated enthalpy of reaction Alabandite
# Enthalpy of formation: -51 kcal/mol
-analytic -1.5515e+2 -4.882e-2 4.9049e+3 6.1765e+1 7.6583e+1
# -Range: 0-300
Alamosite
PbSiO3 + 2 H+ = H2O + Pb+2 + SiO2
log_k 5.6733
-delta_H -16.5164 kJ/mol # Calculated enthalpy of reaction Alamosite
# Enthalpy of formation: -1146.1 kJ/mol
-analytic 2.9941e+2 6.7871e-2 -8.1706e+3 -1.1582e+2 -1.3885e+2
# -Range: 0-200
Albite
NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
log_k 2.7645
-delta_H -51.8523 kJ/mol # Calculated enthalpy of reaction Albite
# Enthalpy of formation: -939.68 kcal/mol
-analytic -1.1694e+1 1.4429e-2 1.3784e+4 -7.2866e+0 -1.6136e+6
# -Range: 0-300
Albite_high
NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
log_k 4.0832
-delta_H -62.8562 kJ/mol # Calculated enthalpy of reaction Albite_high
# Enthalpy of formation: -937.05 kcal/mol
-analytic -1.8957e+1 1.3726e-2 1.4801e+4 -4.9732e+0 -1.6442e+6
# -Range: 0-300
Albite_low
NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
log_k 2.7645
-delta_H -51.8523 kJ/mol # Calculated enthalpy of reaction Albite_low
# Enthalpy of formation: -939.68 kcal/mol
-analytic -1.286e+1 1.4481e-2 1.3913e+4 -6.9417e+0 -1.6256e+6
# -Range: 0-300
Alstonite
BaCa(CO3)2 + 2 H+ = Ba+2 + Ca+2 + 2 HCO3-
log_k 2.5843
-delta_H 0 # Not possible to calculate enthalpy of reaction Alstonite
# Enthalpy of formation: 0 kcal/mol
Alum-K
KAl(SO4)2:12H2O = Al+3 + K+ + 2 SO4-2 + 12 H2O
log_k -4.8818
-delta_H 14.4139 kJ/mol # Calculated enthalpy of reaction Alum-K
# Enthalpy of formation: -1447 kcal/mol
-analytic -8.8025e+2 -2.5706e-1 2.2399e+4 3.5434e+2 3.4978e+2
# -Range: 0-300
Alunite
KAl3(OH)6(SO4)2 + 6 H+ = K+ + 2 SO4-2 + 3 Al+3 + 6 H2O
log_k -0.3479
-delta_H -231.856 kJ/mol # Calculated enthalpy of reaction Alunite
# Enthalpy of formation: -1235.6 kcal/mol
-analytic -6.8581e+2 -2.2455e-1 2.6886e+4 2.6758e+2 4.1973e+2
# -Range: 0-300
Am
Am + 3 H+ + 0.75 O2 = Am+3 + 1.5 H2O
log_k 169.39
-delta_H -1036.36 kJ/mol # Calculated enthalpy of reaction Am
# Enthalpy of formation: 0 kJ/mol
-analytic -6.7924e+0 -8.9873e-3 5.3327e+4 0e+0 0e+0
# -Range: 0-300
Am(OH)3
Am(OH)3 + 3 H+ = Am+3 + 3 H2O
log_k 15.2218
-delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3
# Enthalpy of formation: 0 kcal/mol
Am(OH)3(am)
Am(OH)3 + 3 H+ = Am+3 + 3 H2O
log_k 17.0217
-delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3(am)
# Enthalpy of formation: 0 kcal/mol
Am2(CO3)3
Am2(CO3)3 + 3 H+ = 2 Am+3 + 3 HCO3-
log_k -2.3699
-delta_H 0 # Not possible to calculate enthalpy of reaction Am2(CO3)3
# Enthalpy of formation: 0 kcal/mol
Am2C3
Am2C3 + 4.5 O2 + 3 H+ = 2 Am+3 + 3 HCO3-
log_k 503.9594
-delta_H -3097.6 kJ/mol # Calculated enthalpy of reaction Am2C3
# Enthalpy of formation: -151 kJ/mol
-analytic 3.3907e+2 -4.2636e-3 1.4463e+5 -1.2891e+2 2.4559e+3
# -Range: 0-200
Am2O3
Am2O3 + 6 H+ = 2 Am+3 + 3 H2O
log_k 51.7905
-delta_H -400.515 kJ/mol # Calculated enthalpy of reaction Am2O3
# Enthalpy of formation: -1690.4 kJ/mol
-analytic -9.2044e+1 -1.8883e-2 2.3028e+4 2.9192e+1 3.5935e+2
# -Range: 0-300
AmBr3
AmBr3 = Am+3 + 3 Br-
log_k 21.7826
-delta_H -171.21 kJ/mol # Calculated enthalpy of reaction AmBr3
# Enthalpy of formation: -810 kJ/mol
-analytic 1.0121e+1 -3.0622e-2 6.1964e+3 0e+0 0e+0
# -Range: 0-200
AmCl3
AmCl3 = Am+3 + 3 Cl-
log_k 14.3513
-delta_H -140.139 kJ/mol # Calculated enthalpy of reaction AmCl3
# Enthalpy of formation: -977.8 kJ/mol
-analytic -1.5e+1 -3.6701e-2 5.2281e+3 9.1942e+0 8.8785e+1
# -Range: 0-200
AmF3
AmF3 = Am+3 + 3 F-
log_k -13.119
-delta_H -34.7428 kJ/mol # Calculated enthalpy of reaction AmF3
# Enthalpy of formation: -1588 kJ/mol
-analytic -4.0514e+1 -3.7312e-2 4.1626e+2 1.4999e+1 7.0827e+0
# -Range: 0-200
AmF4
AmF4 = Am+4 + 4 F-
log_k -25.1354
-delta_H -37.3904 kJ/mol # Calculated enthalpy of reaction AmF4
# Enthalpy of formation: -1710 kJ/mol
-analytic -4.9592e+1 -4.521e-2 -9.7251e+1 1.5457e+1 -1.6348e+0
# -Range: 0-200
AmH2
AmH2 + 2 H+ + O2 = Am+2 + 2 H2O
log_k 128.4208
-delta_H -738.376 kJ/mol # Calculated enthalpy of reaction AmH2
# Enthalpy of formation: -175.8 kJ/mol
-analytic 3.1175e+1 -1.4062e-2 3.6259e+4 -8.16e+0 5.6578e+2
# -Range: 0-300
AmI3
AmI3 = Am+3 + 3 I-
log_k 24.7301
-delta_H -175.407 kJ/mol # Calculated enthalpy of reaction AmI3
# Enthalpy of formation: -612 kJ/mol
-analytic -1.3886e+1 -3.6651e-2 7.2094e+3 1.0247e+1 1.2243e+2
# -Range: 0-200
AmO2
AmO2 + 4 H+ = Am+4 + 2 H2O
log_k -9.4203
-delta_H -45.4767 kJ/mol # Calculated enthalpy of reaction AmO2
# Enthalpy of formation: -932.2 kJ/mol
-analytic -7.4658e+1 -1.1661e-2 4.2059e+3 2.207e+1 6.565e+1
# -Range: 0-300
AmOBr
AmOBr + 2 H+ = Am+3 + Br- + H2O
log_k 13.7637
-delta_H -131.042 kJ/mol # Calculated enthalpy of reaction AmOBr
# Enthalpy of formation: -893 kJ/mol
-analytic -4.4394e+1 -1.7071e-2 7.3438e+3 1.5605e+1 1.2472e+2
# -Range: 0-200
AmOCl
AmOCl + 2 H+ = Am+3 + Cl- + H2O
log_k 11.3229
-delta_H -119.818 kJ/mol # Calculated enthalpy of reaction AmOCl
# Enthalpy of formation: -949.8 kJ/mol
-analytic -1.2101e+2 -4.1027e-2 8.6801e+3 4.6651e+1 1.3548e+2
# -Range: 0-300
AmOHCO3
AmOHCO3 + 2 H+ = Am+3 + H2O + HCO3-
log_k 3.1519
-delta_H 0 # Not possible to calculate enthalpy of reaction AmOHCO3
# Enthalpy of formation: 0 kcal/mol
AmPO4(am)
AmPO4 + H+ = Am+3 + HPO4-2
log_k -12.4682
-delta_H 0 # Not possible to calculate enthalpy of reaction AmPO4(am)
# Enthalpy of formation: 0 kcal/mol
Amesite-14A
Mg4Al4Si2O10(OH)8 + 20 H+ = 2 SiO2 + 4 Al+3 + 4 Mg+2 + 14 H2O
log_k 75.4571
-delta_H -797.098 kJ/mol # Calculated enthalpy of reaction Amesite-14A
# Enthalpy of formation: -2145.67 kcal/mol
-analytic -5.4326e+2 -1.4144e-1 5.415e+4 1.9361e+2 8.4512e+2
# -Range: 0-300
Analcime
Na.96Al.96Si2.04O6:H2O + 3.84 H+ = 0.96 Al+3 + 0.96 Na+ + 2.04 SiO2 + 2.92 H2O
log_k 6.1396
-delta_H -75.844 kJ/mol # Calculated enthalpy of reaction Analcime
# Enthalpy of formation: -3296.86 kJ/mol
-analytic -6.8694e+0 6.6052e-3 9.826e+3 -4.854e+0 -8.878e+5
# -Range: 0-300
Analcime-dehy
Na.96Al.96Si2.04O6 + 3.84 H+ = 0.96 Al+3 + 0.96 Na+ + 1.92 H2O + 2.04 SiO2
log_k 12.5023
-delta_H -116.641 kJ/mol # Calculated enthalpy of reaction Analcime-dehy
# Enthalpy of formation: -2970.23 kJ/mol
-analytic -7.1134e+0 5.6181e-3 1.2185e+4 -5.0295e+0 -9.389e+5
# -Range: 0-300
Anatase
TiO2 + 2 H2O = Ti(OH)4
log_k -8.5586
-delta_H 0 # Not possible to calculate enthalpy of reaction Anatase
# Enthalpy of formation: -939.942 kJ/mol
Andalusite
Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
log_k 15.9445
-delta_H -235.233 kJ/mol # Calculated enthalpy of reaction Andalusite
# Enthalpy of formation: -615.866 kcal/mol
-analytic -7.1115e+1 -3.2234e-2 1.2308e+4 2.2357e+1 1.9208e+2
# -Range: 0-300
Andradite
Ca3Fe2(SiO4)3 + 12 H+ = 2 Fe+3 + 3 Ca+2 + 3 SiO2 + 6 H2O
log_k 33.3352
-delta_H -301.173 kJ/mol # Calculated enthalpy of reaction Andradite
# Enthalpy of formation: -1380.35 kcal/mol
-analytic 1.3884e+1 -2.3886e-2 1.5314e+4 -8.1606e+0 -4.2193e+5
# -Range: 0-300
Anglesite
PbSO4 = Pb+2 + SO4-2
log_k -7.8527
-delta_H 11.255 kJ/mol # Calculated enthalpy of reaction Anglesite
# Enthalpy of formation: -219.87 kcal/mol
-analytic -1.8583e+2 -7.3849e-2 2.8528e+3 7.6936e+1 4.457e+1
# -Range: 0-300
Anhydrite
CaSO4 = Ca+2 + SO4-2
log_k -4.3064
-delta_H -18.577 kJ/mol # Calculated enthalpy of reaction Anhydrite
# Enthalpy of formation: -342.76 kcal/mol
-analytic -2.0986e+2 -7.8823e-2 5.0969e+3 8.5642e+1 7.9594e+1
# -Range: 0-300
Annite
KFe3AlSi3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Fe+2 + 3 SiO2 + 6 H2O
log_k 29.4693
-delta_H -259.964 kJ/mol # Calculated enthalpy of reaction Annite
# Enthalpy of formation: -1232.19 kcal/mol
-analytic -4.0186e+1 -1.4238e-2 1.8929e+4 7.9859e+0 -8.4343e+5
# -Range: 0-300
Anorthite
CaAl2(SiO4)2 + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 4 H2O
log_k 26.578
-delta_H -303.039 kJ/mol # Calculated enthalpy of reaction Anorthite
# Enthalpy of formation: -1007.55 kcal/mol
-analytic 3.9717e-1 -1.8751e-2 1.4897e+4 -6.3078e+0 -2.3885e+5
# -Range: 0-300
Antarcticite
CaCl2:6H2O = Ca+2 + 2 Cl- + 6 H2O
log_k 4.0933
-delta_H 0 # Not possible to calculate enthalpy of reaction Antarcticite
# Enthalpy of formation: 0 kcal/mol
Anthophyllite
Mg7Si8O22(OH)2 + 14 H+ = 7 Mg+2 + 8 H2O + 8 SiO2
log_k 66.7965
-delta_H -483.486 kJ/mol # Calculated enthalpy of reaction Anthophyllite
# Enthalpy of formation: -2888.75 kcal/mol
-analytic -1.2865e+2 1.9705e-2 5.4853e+4 1.9444e+1 -3.808e+6
# -Range: 0-300
Antigorite
# Mg48Si24O85(OH)62 +96.0000 H+ = + 34.0000 SiO2 + 48.0000 Mg++ + 79.0000 H2O
Mg48Si34O85(OH)62 + 96 H+ = 34 SiO2 + 48 Mg+2 + 79 H2O
log_k 477.1943
-delta_H -3364.43 kJ/mol # Calculated enthalpy of reaction Antigorite
# Enthalpy of formation: -17070.9 kcal/mol
-analytic -8.163e+2 -6.778e-2 2.5998e+5 2.2029e+2 -9.3275e+6
# -Range: 0-300
Antlerite
Cu3(SO4)(OH)4 + 4 H+ = SO4-2 + 3 Cu+2 + 4 H2O
log_k 8.7302
-delta_H 0 # Not possible to calculate enthalpy of reaction Antlerite
# Enthalpy of formation: 0 kcal/mol
Aphthitalite
NaK3(SO4)2 = Na+ + 2 SO4-2 + 3 K+
log_k -3.8878
-delta_H 0 # Not possible to calculate enthalpy of reaction Aphthitalite
# Enthalpy of formation: 0 kcal/mol
Aragonite
CaCO3 + H+ = Ca+2 + HCO3-
log_k 1.9931
-delta_H -25.8027 kJ/mol # Calculated enthalpy of reaction Aragonite
# Enthalpy of formation: -288.531 kcal/mol
-analytic -1.4934e+2 -4.8043e-2 4.9089e+3 6.0284e+1 7.6644e+1
# -Range: 0-300
Arcanite
K2SO4 = SO4-2 + 2 K+
log_k -1.8008
-delta_H 23.836 kJ/mol # Calculated enthalpy of reaction Arcanite
# Enthalpy of formation: -1437.78 kJ/mol
-analytic -1.6428e+2 -6.7762e-2 1.9879e+3 7.1116e+1 3.1067e+1
# -Range: 0-300
Arsenolite
As2O3 + 3 H2O = 2 H+ + 2 H2AsO3-
log_k -19.8365
-delta_H 84.5449 kJ/mol # Calculated enthalpy of reaction Arsenolite
# Enthalpy of formation: -656.619 kJ/mol
-analytic 5.1917e+0 -1.9397e-2 -6.0894e+3 4.7458e-1 -1.0341e+2
# -Range: 0-200
Arsenopyrite
FeAsS + 1.5 H2O + 0.5 H+ = 0.5 AsH3 + 0.5 H2AsO3- + Fe+2 + HS-
log_k -14.4453
-delta_H 28.0187 kJ/mol # Calculated enthalpy of reaction Arsenopyrite
# Enthalpy of formation: -42.079 kJ/mol
Artinite
Mg2CO3(OH)2:3H2O + 3 H+ = HCO3- + 2 Mg+2 + 5 H2O
log_k 19.656
-delta_H -130.432 kJ/mol # Calculated enthalpy of reaction Artinite
# Enthalpy of formation: -698.043 kcal/mol
-analytic -2.8614e+2 -6.7344e-2 1.523e+4 1.1104e+2 2.3773e+2
# -Range: 0-300
As
As + 1.5 H2O + 0.75 O2 = H+ + H2AsO3-
log_k 42.7079
-delta_H -276.937 kJ/mol # Calculated enthalpy of reaction As
# Enthalpy of formation: 0 kJ/mol
-analytic -3.47e+1 -3.1772e-2 1.3788e+4 1.6411e+1 2.1517e+2
# -Range: 0-300
As2O5
As2O5 + 3 H2O = 2 H+ + 2 H2AsO4-
log_k 2.1601
-delta_H -36.7345 kJ/mol # Calculated enthalpy of reaction As2O5
# Enthalpy of formation: -924.87 kJ/mol
-analytic -1.4215e+2 -6.3459e-2 4.1222e+3 6.0369e+1 6.4365e+1
# -Range: 0-300
As4O6(cubi)
As4O6 + 6 H2O = 4 H+ + 4 H2AsO3-
log_k -39.7636
-delta_H 169.792 kJ/mol # Calculated enthalpy of reaction As4O6(cubi)
# Enthalpy of formation: -1313.94 kJ/mol
-analytic -2.63e+2 -1.1822e-1 -4.9004e+3 1.1108e+2 -7.6389e+1
# -Range: 0-300
As4O6(mono)
As4O6 + 6 H2O = 4 H+ + 4 H2AsO3-
log_k -40.0375
-delta_H 165.452 kJ/mol # Calculated enthalpy of reaction As4O6(mono)
# Enthalpy of formation: -1309.6 kJ/mol
-analytic 9.2518e+0 -3.8823e-2 -1.1985e+4 9.9966e-1 -2.0352e+2
# -Range: 0-200
Atacamite
Cu4Cl2(OH)6 + 6 H+ = 2 Cl- + 4 Cu+2 + 6 H2O
log_k 14.2836
-delta_H -132.001 kJ/mol # Calculated enthalpy of reaction Atacamite
# Enthalpy of formation: -1654.43 kJ/mol
-analytic -2.6623e+2 -4.8121e-2 1.5315e+4 9.8395e+1 2.6016e+2
# -Range: 0-200
Au
Au + H+ + 0.25 O2 = 0.5 H2O + Au+
log_k -7.0864
-delta_H 59.189 kJ/mol # Calculated enthalpy of reaction Au
# Enthalpy of formation: 0 kcal/mol
-analytic -7.661e-1 -2.852e-3 -3.0861e+3 1.9705e+0 -4.8156e+1
# -Range: 0-300
Autunite-H
H2(UO2)2(PO4)2 = 2 HPO4-2 + 2 UO2+2
log_k -25.3372
-delta_H -31.8599 kJ/mol # Calculated enthalpy of reaction Autunite-H
# Enthalpy of formation: -4590.3 kJ/mol
-analytic -3.2179e+1 -3.8038e-2 -6.8629e+2 8.2724e+0 -1.1644e+1
# -Range: 0-200
Azurite
Cu3(CO3)2(OH)2 + 4 H+ = 2 H2O + 2 HCO3- + 3 Cu+2
log_k 9.1607
-delta_H -122.298 kJ/mol # Calculated enthalpy of reaction Azurite
# Enthalpy of formation: -390.1 kcal/mol
-analytic -4.4042e+2 -1.1934e-1 1.8053e+4 1.7158e+2 2.8182e+2
# -Range: 0-300
B
B + 1.5 H2O + 0.75 O2 = B(OH)3
log_k 109.5654
-delta_H -636.677 kJ/mol # Calculated enthalpy of reaction B
# Enthalpy of formation: 0 kJ/mol
-analytic 8.0471e+1 1.2577e-3 2.9653e+4 -2.8593e+1 4.6268e+2
# -Range: 0-300
B2O3
B2O3 + 3 H2O = 2 B(OH)3
log_k 5.5464
-delta_H -18.0548 kJ/mol # Calculated enthalpy of reaction B2O3
# Enthalpy of formation: -1273.5 kJ/mol
-analytic 9.0905e+1 5.5365e-3 -2.6629e+3 -3.1553e+1 -4.1578e+1
# -Range: 0-300
Ba
Ba + 2 H+ + 0.5 O2 = Ba+2 + H2O
log_k 141.2465
-delta_H -817.416 kJ/mol # Calculated enthalpy of reaction Ba
# Enthalpy of formation: 0 kJ/mol
-analytic -2.5033e+1 -1.3917e-2 4.2849e+4 1.0786e+1 6.6863e+2
# -Range: 0-300
Ba(OH)2:8H2O
Ba(OH)2:8H2O + 2 H+ = Ba+2 + 10 H2O
log_k 24.4911
-delta_H -55.4363 kJ/mol # Calculated enthalpy of reaction Ba(OH)2:8H2O
# Enthalpy of formation: -3340.59 kJ/mol
-analytic -2.3888e+2 -1.5791e-3 1.4097e+4 8.7518e+1 2.3947e+2
# -Range: 0-200
Ba2Si3O8
Ba2Si3O8 + 4 H+ = 2 Ba+2 + 2 H2O + 3 SiO2
log_k 23.3284
-delta_H -95.3325 kJ/mol # Calculated enthalpy of reaction Ba2Si3O8
# Enthalpy of formation: -4184.73 kJ/mol
-analytic -8.7226e+1 9.3125e-3 2.3147e+4 2.2012e+1 -2.1714e+6
# -Range: 0-300
Ba2SiO4
Ba2SiO4 + 4 H+ = SiO2 + 2 Ba+2 + 2 H2O
log_k 44.593
-delta_H -237.206 kJ/mol # Calculated enthalpy of reaction Ba2SiO4
# Enthalpy of formation: -2287.46 kJ/mol
-analytic -7.035e+0 -5.1744e-3 1.4786e+4 3.1091e+0 -3.6972e+5
# -Range: 0-300
Ba2U2O7
Ba2U2O7 + 6 H+ = 2 Ba+2 + 2 UO2+ + 3 H2O
log_k 36.4635
-delta_H -243.057 kJ/mol # Calculated enthalpy of reaction Ba2U2O7
# Enthalpy of formation: -3740 kJ/mol
-analytic -9.2562e+1 5.3866e-3 1.6852e+4 2.8647e+1 2.8621e+2
# -Range: 0-200
Ba3UO6
Ba3UO6 + 8 H+ = UO2+2 + 3 Ba+2 + 4 H2O
log_k 94.3709
-delta_H -564.885 kJ/mol # Calculated enthalpy of reaction Ba3UO6
# Enthalpy of formation: -3210.4 kJ/mol
-analytic -1.3001e+2 -1.7395e-2 3.3977e+4 4.6715e+1 5.7703e+2
# -Range: 0-200
BaBr2
BaBr2 = Ba+2 + 2 Br-
log_k 5.6226
-delta_H -23.3887 kJ/mol # Calculated enthalpy of reaction BaBr2
# Enthalpy of formation: -757.262 kJ/mol
-analytic -1.7689e+2 -7.1918e-2 4.7187e+3 7.601e+1 7.3683e+1
# -Range: 0-300
BaBr2:2H2O
BaBr2:2H2O = Ba+2 + 2 Br- + 2 H2O
log_k 2.2523
-delta_H 13.7736 kJ/mol # Calculated enthalpy of reaction BaBr2:2H2O
# Enthalpy of formation: -1366.1 kJ/mol
-analytic -1.5506e+1 -1.6281e-2 -8.5727e+2 1.0296e+1 -1.4552e+1
# -Range: 0-200
BaCl2
BaCl2 = Ba+2 + 2 Cl-
log_k 2.2707
-delta_H -13.1563 kJ/mol # Calculated enthalpy of reaction BaCl2
# Enthalpy of formation: -858.647 kJ/mol
-analytic -2.0393e+2 -7.8925e-2 4.8846e+3 8.6204e+1 7.628e+1
# -Range: 0-300
BaCl2:2H2O
BaCl2:2H2O = Ba+2 + 2 Cl- + 2 H2O
log_k 0.2459
-delta_H 16.558 kJ/mol # Calculated enthalpy of reaction BaCl2:2H2O
# Enthalpy of formation: -1460.04 kJ/mol
-analytic -2.035e+2 -7.3577e-2 3.7914e+3 8.6051e+1 5.9221e+1
# -Range: 0-300
BaCl2:H2O
BaCl2:H2O = Ba+2 + H2O + 2 Cl-
log_k 0.8606
-delta_H 2.89433 kJ/mol # Calculated enthalpy of reaction BaCl2:H2O
# Enthalpy of formation: -1160.54 kJ/mol
-analytic -1.9572e+2 -7.3938e-2 4.0553e+3 8.2842e+1 6.3336e+1
# -Range: 0-300
BaCrO4
BaCrO4 = Ba+2 + CrO4-2
log_k -9.9322
-delta_H 25.9115 kJ/mol # Calculated enthalpy of reaction BaCrO4
# Enthalpy of formation: -345.293 kcal/mol
-analytic 2.3142e+1 -1.6617e-2 -3.6883e+3 -6.3687e+0 -6.264e+1
# -Range: 0-200
BaHPO4
BaHPO4 = Ba+2 + HPO4-2
log_k -7.4
-delta_H 0 # Not possible to calculate enthalpy of reaction BaHPO4
# Enthalpy of formation: 0 kcal/mol
BaI2
BaI2 = Ba+2 + 2 I-
log_k 11.0759
-delta_H -46.0408 kJ/mol # Calculated enthalpy of reaction BaI2
# Enthalpy of formation: -605.408 kJ/mol
-analytic -1.7511e+2 -7.2206e-2 5.8696e+3 7.5974e+1 9.1641e+1
# -Range: 0-300
BaMnO4
BaMnO4 = Ba+2 + MnO4-2
log_k -10.09
-delta_H 0 # Not possible to calculate enthalpy of reaction BaMnO4
# Enthalpy of formation: 0 kcal/mol
BaO
BaO + 2 H+ = Ba+2 + H2O
log_k 47.8036
-delta_H -270.184 kJ/mol # Calculated enthalpy of reaction BaO
# Enthalpy of formation: -553.298 kJ/mol
-analytic -7.3273e+1 -1.7149e-2 1.6811e+4 2.856e+1 -7.751e+4
# -Range: 0-300
BaS
BaS + H+ = Ba+2 + HS-
log_k 16.2606
-delta_H -92.9004 kJ/mol # Calculated enthalpy of reaction BaS
# Enthalpy of formation: -460.852 kJ/mol
-analytic -1.1819e+2 -4.342e-2 7.4296e+3 4.9489e+1 1.1597e+2
# -Range: 0-300
BaSeO3
BaSeO3 = Ba+2 + SeO3-2
log_k -6.5615
-delta_H -5.5658 kJ/mol # Calculated enthalpy of reaction BaSeO3
# Enthalpy of formation: -1041.27 kJ/mol
-analytic 2.9742e+1 -1.7073e-2 -2.4532e+3 -9.2936e+0 -4.1669e+1
# -Range: 0-200
BaSeO4
BaSeO4 = Ba+2 + SeO4-2
log_k -7.4468
-delta_H 8.9782 kJ/mol # Calculated enthalpy of reaction BaSeO4
# Enthalpy of formation: -1145.77 kJ/mol
-analytic 2.4274e+1 -1.6289e-2 -2.852e+3 -6.9949e+0 -4.8439e+1
# -Range: 0-200
BaSiF6
BaSiF6 + 2 H2O = Ba+2 + SiO2 + 4 H+ + 6 F-
log_k -32.1771
-delta_H 95.2555 kJ/mol # Calculated enthalpy of reaction BaSiF6
# Enthalpy of formation: -2951.01 kJ/mol
-analytic -6.4766e+0 -3.841e-2 0e+0 0e+0 -1.2701e+6
# -Range: 0-200
BaU2O7
BaU2O7 + 6 H+ = Ba+2 + 2 UO2+2 + 3 H2O
log_k 21.9576
-delta_H -195.959 kJ/mol # Calculated enthalpy of reaction BaU2O7
# Enthalpy of formation: -3237.2 kJ/mol
-analytic -1.2254e+2 -1.0941e-2 1.4452e+4 4.0125e+1 2.4546e+2
# -Range: 0-200
BaUO4
BaUO4 + 4 H+ = Ba+2 + UO2+2 + 2 H2O
log_k 18.2007
-delta_H -134.521 kJ/mol # Calculated enthalpy of reaction BaUO4
# Enthalpy of formation: -1993.8 kJ/mol
-analytic -6.7113e+1 -1.634e-2 8.7592e+3 2.4571e+1 1.367e+2
# -Range: 0-300
BaZrO3
BaZrO3 + 4 H+ = Ba+2 + H2O + Zr(OH)2+2
log_k -94.4716
-delta_H 505.159 kJ/mol # Calculated enthalpy of reaction BaZrO3
# Enthalpy of formation: -578.27 kcal/mol
-analytic -5.3606e+1 -1.0096e-2 -2.4894e+4 1.8446e+1 -4.2271e+2
# -Range: 0-200
Baddeleyite
ZrO2 + 2 H+ = Zr(OH)2+2
log_k -7.9405
-delta_H 9.72007 kJ/mol # Calculated enthalpy of reaction Baddeleyite
# Enthalpy of formation: -1100.56 kJ/mol
-analytic -2.5188e-1 -4.6374e-3 -1.0635e+3 -1.1055e+0 -1.6595e+1
# -Range: 0-300
Barite
BaSO4 = Ba+2 + SO4-2
log_k -9.9711
-delta_H 25.9408 kJ/mol # Calculated enthalpy of reaction Barite
# Enthalpy of formation: -352.1 kcal/mol
-analytic -1.8747e+2 -7.5521e-2 2.079e+3 7.7998e+1 3.2497e+1
# -Range: 0-300
Barytocalcite
BaCa(CO3)2 + 2 H+ = Ba+2 + Ca+2 + 2 HCO3-
log_k 2.742
-delta_H 0 # Not possible to calculate enthalpy of reaction Barytocalcite
# Enthalpy of formation: 0 kcal/mol
Bassanite
CaSO4:0.5H2O = 0.5 H2O + Ca+2 + SO4-2
log_k -3.6615
-delta_H -18.711 kJ/mol # Calculated enthalpy of reaction Bassanite
# Enthalpy of formation: -1576.89 kJ/mol
-analytic -2.201e+2 -8.023e-2 5.5092e+3 8.9651e+1 8.6031e+1
# -Range: 0-300
Bassetite
Fe(UO2)2(PO4)2 + 2 H+ = Fe+2 + 2 HPO4-2 + 2 UO2+2
log_k -17.724
-delta_H -114.841 kJ/mol # Calculated enthalpy of reaction Bassetite
# Enthalpy of formation: -1099.33 kcal/mol
-analytic -5.7788e+1 -4.54e-2 4.0119e+3 1.6216e+1 6.8147e+1
# -Range: 0-200
Be
Be + 2 H+ + 0.5 O2 = Be+2 + H2O
log_k 104.2077
-delta_H -662.608 kJ/mol # Calculated enthalpy of reaction Be
# Enthalpy of formation: 0 kJ/mol
-analytic -9.396e+1 -2.4749e-2 3.6714e+4 3.3295e+1 5.7291e+2
# -Range: 0-300
Be13U
Be13U + 30 H+ + 7.5 O2 = U+4 + 13 Be+2 + 15 H2O
log_k 1504.535
-delta_H -9601.04 kJ/mol # Calculated enthalpy of reaction Be13U
# Enthalpy of formation: -163.6 kJ/mol
-analytic -1.2388e+3 -3.2848e-1 5.2816e+5 4.3222e+2 8.2419e+3
# -Range: 0-300
Beidellite-Ca
Ca.165Al2.33Si3.67O10(OH)2 + 7.32 H+ = 0.165 Ca+2 + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O
log_k 5.5914
-delta_H -162.403 kJ/mol # Calculated enthalpy of reaction Beidellite-Ca
# Enthalpy of formation: -1370.66 kcal/mol
-analytic 2.3887e+1 4.4178e-3 1.5296e+4 -2.2343e+1 -1.4025e+6
# -Range: 0-300
Beidellite-Cs
Cs.33Si3.67Al2.33O10(OH)2 + 7.32 H+ = 0.33 Cs+ + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O
log_k 5.1541
-delta_H -149.851 kJ/mol # Calculated enthalpy of reaction Beidellite-Cs
# Enthalpy of formation: -1372.59 kcal/mol
-analytic 2.1244e+1 2.1705e-3 1.4504e+4 -2.025e+1 -1.3712e+6
# -Range: 0-300
Beidellite-H
H.33Al2.33Si3.67O10(OH)2 + 6.99 H+ = 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O
log_k 4.6335
-delta_H -154.65 kJ/mol # Calculated enthalpy of reaction Beidellite-H
# Enthalpy of formation: -1351.1 kcal/mol
-analytic 5.407e+0 3.4064e-3 1.6284e+4 -1.6028e+1 -1.5014e+6
# -Range: 0-300
Beidellite-K
K.33Al2.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 K+ + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O
log_k 5.3088
-delta_H -150.834 kJ/mol # Calculated enthalpy of reaction Beidellite-K
# Enthalpy of formation: -1371.9 kcal/mol
-analytic 1.0792e+1 3.4419e-3 1.576e+4 -1.7333e+1 -1.4779e+6
# -Range: 0-300
Beidellite-Mg
Mg.165Al2.33Si3.67O10(OH)2 + 7.32 H+ = 0.165 Mg+2 + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O
log_k 5.5537
-delta_H -165.455 kJ/mol # Calculated enthalpy of reaction Beidellite-Mg
# Enthalpy of formation: -1366.89 kcal/mol
-analytic 1.3375e+1 3.042e-3 1.5947e+4 -1.8728e+1 -1.4242e+6
# -Range: 0-300
Beidellite-Na
Na.33Al2.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 Na+ + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O
log_k 5.6473
-delta_H -155.846 kJ/mol # Calculated enthalpy of reaction Beidellite-Na
# Enthalpy of formation: -1369.76 kcal/mol
-analytic 1.1504e+1 3.9871e-3 1.5818e+4 -1.7762e+1 -1.4485e+6
# -Range: 0-300
Berlinite
AlPO4 + H+ = Al+3 + HPO4-2
log_k -7.2087
-delta_H -96.6313 kJ/mol # Calculated enthalpy of reaction Berlinite
# Enthalpy of formation: -1733.85 kJ/mol
-analytic -2.8134e+2 -9.9933e-2 1.0308e+4 1.0883e+2 1.6094e+2
# -Range: 0-300
Berndtite
SnS2 = S2-2 + Sn+2
log_k -34.5393
-delta_H 0 # Not possible to calculate enthalpy of reaction Berndtite
# Enthalpy of formation: -36.7 kcal/mol
-analytic -2.0311e+2 -7.6462e-2 -4.9879e+3 8.4082e+1 -7.7772e+1
# -Range: 0-300
Bieberite
CoSO4:7H2O = Co+2 + SO4-2 + 7 H2O
log_k -2.5051
-delta_H 11.3885 kJ/mol # Calculated enthalpy of reaction Bieberite
# Enthalpy of formation: -2980.02 kJ/mol
-analytic -2.6405e+2 -7.2497e-2 6.6673e+3 1.0538e+2 1.0411e+2
# -Range: 0-300
Birnessite
Mn8O14:5H2O + 4 H+ = 3 MnO4-2 + 5 Mn+2 + 7 H2O
log_k -85.5463
-delta_H 0 # Not possible to calculate enthalpy of reaction Birnessite
# Enthalpy of formation: 0 kcal/mol
Bischofite
MgCl2:6H2O = Mg+2 + 2 Cl- + 6 H2O
log_k 4.3923
-delta_H 0 # Not possible to calculate enthalpy of reaction Bischofite
# Enthalpy of formation: 0 kcal/mol
Bixbyite
Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O
log_k -0.9655
-delta_H -190.545 kJ/mol # Calculated enthalpy of reaction Bixbyite
# Enthalpy of formation: -958.971 kJ/mol
-analytic -1.16e+2 -2.8056e-3 1.3418e+4 2.8639e+1 2.0941e+2
# -Range: 0-300
Bloedite
Na2Mg(SO4)2:4H2O = Mg+2 + 2 Na+ + 2 SO4-2 + 4 H2O
log_k -2.4777
-delta_H 0 # Not possible to calculate enthalpy of reaction Bloedite
# Enthalpy of formation: 0 kcal/mol
Boehmite
AlO2H + 3 H+ = Al+3 + 2 H2O
log_k 7.5642
-delta_H -113.282 kJ/mol # Calculated enthalpy of reaction Boehmite
# Enthalpy of formation: -238.24 kcal/mol
-analytic -1.2196e+2 -3.1138e-2 8.8643e+3 4.4075e+1 1.3835e+2
# -Range: 0-300
Boltwoodite
K(H3O)(UO2)SiO4 + 3 H+ = K+ + SiO2 + UO2+2 + 3 H2O
log_k 14.8857
-delta_H 0 # Not possible to calculate enthalpy of reaction Boltwoodite
# Enthalpy of formation: 0 kcal/mol
Boltwoodite-Na
Na.7K.3(H3O)(UO2)SiO4:H2O + 3 H+ = 0.3 K+ + 0.7 Na+ + SiO2 + UO2+2 + 4 H2O
log_k 14.5834
-delta_H 0 # Not possible to calculate enthalpy of reaction Boltwoodite-Na
# Enthalpy of formation: 0 kcal/mol
Borax
Na2(B4O5(OH)4):8H2O + 2 H+ = 2 Na+ + 4 B(OH)3 + 5 H2O
log_k 12.0395
-delta_H 80.5145 kJ/mol # Calculated enthalpy of reaction Borax
# Enthalpy of formation: -6288.44 kJ/mol
-analytic 7.8374e+1 1.9328e-2 -5.3279e+3 -2.1914e+1 -8.316e+1
# -Range: 0-300
Boric_acid
B(OH)3 = B(OH)3
log_k -0.1583
-delta_H 20.2651 kJ/mol # Calculated enthalpy of reaction Boric_acid
# Enthalpy of formation: -1094.8 kJ/mol
-analytic 3.9122e+1 6.4058e-3 -2.2525e+3 -1.3592e+1 -3.516e+1
# -Range: 0-300
Bornite
Cu5FeS4 + 4 H+ = Cu+2 + Fe+2 + 4 Cu+ + 4 HS-
log_k -102.4369
-delta_H 530.113 kJ/mol # Calculated enthalpy of reaction Bornite
# Enthalpy of formation: -79.922 kcal/mol
-analytic -7.0495e+2 -2.0082e-1 -9.1376e+3 2.8004e+2 -1.4238e+2
# -Range: 0-300
Brezinaite
Cr3S4 + 4 H+ = Cr+2 + 2 Cr+3 + 4 HS-
log_k 2.7883
-delta_H -216.731 kJ/mol # Calculated enthalpy of reaction Brezinaite
# Enthalpy of formation: -111.9 kcal/mol
-analytic -7.0528e+1 -3.6568e-2 1.0598e+4 1.9665e+1 1.8e+2
# -Range: 0-200
Brochantite
Cu4(SO4)(OH)6 + 6 H+ = SO4-2 + 4 Cu+2 + 6 H2O
log_k 15.4363
-delta_H -163.158 kJ/mol # Calculated enthalpy of reaction Brochantite
# Enthalpy of formation: -2198.72 kJ/mol
-analytic -2.3609e+2 -3.9046e-2 1.597e+4 8.4701e+1 2.7127e+2
# -Range: 0-200
Bromellite
BeO + 2 H+ = Be+2 + H2O
log_k 1.1309
-delta_H -59.2743 kJ/mol # Calculated enthalpy of reaction Bromellite
# Enthalpy of formation: -609.4 kJ/mol
-analytic 1.479e+2 -4.6004e-1 -3.2577e+4 4.0273e+1 -5.0837e+2
# -Range: 0-300
Brucite
Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O
log_k 16.298
-delta_H -111.34 kJ/mol # Calculated enthalpy of reaction Brucite
# Enthalpy of formation: -221.39 kcal/mol
-analytic -1.028e+2 -1.9759e-2 9.018e+3 3.8282e+1 1.4075e+2
# -Range: 0-300
Brushite
CaHPO4:2H2O = Ca+2 + HPO4-2 + 2 H2O
log_k 6.55
-delta_H 0 # Not possible to calculate enthalpy of reaction Brushite
# Enthalpy of formation: 0 kcal/mol
Bunsenite
NiO + 2 H+ = H2O + Ni+2
log_k 12.4719
-delta_H -100.069 kJ/mol # Calculated enthalpy of reaction Bunsenite
# Enthalpy of formation: -57.3 kcal/mol
-analytic -8.1664e+1 -1.9796e-2 7.4064e+3 3.0385e+1 1.1559e+2
# -Range: 0-300
Burkeite
Na6CO3(SO4)2 + H+ = HCO3- + 2 SO4-2 + 6 Na+
log_k 9.4866
-delta_H 0 # Not possible to calculate enthalpy of reaction Burkeite
# Enthalpy of formation: 0 kcal/mol
C
C + H2O + O2 = H+ + HCO3-
log_k 64.1735
-delta_H -391.961 kJ/mol # Calculated enthalpy of reaction C
# Enthalpy of formation: 0 kcal/mol
-analytic -3.5556e+1 -3.3691e-2 1.9774e+4 1.7548e+1 3.0856e+2
# -Range: 0-300
Ca
Ca + 2 H+ + 0.5 O2 = Ca+2 + H2O
log_k 139.8465
-delta_H -822.855 kJ/mol # Calculated enthalpy of reaction Ca
# Enthalpy of formation: 0 kJ/mol
-analytic -1.1328e+2 -2.6554e-2 4.7638e+4 4.1989e+1 -2.3545e+5
# -Range: 0-300
Ca-Al_Pyroxene
CaAl2SiO6 + 8 H+ = Ca+2 + SiO2 + 2 Al+3 + 4 H2O
log_k 35.9759
-delta_H -361.548 kJ/mol # Calculated enthalpy of reaction Ca-Al_Pyroxene
# Enthalpy of formation: -783.793 kcal/mol
-analytic -1.4664e+2 -5.0409e-2 2.1045e+4 5.1318e+1 3.2843e+2
# -Range: 0-300
Ca2Al2O5:8H2O
Ca2Al2O5:8H2O + 10 H+ = 2 Al+3 + 2 Ca+2 + 13 H2O
log_k 59.5687
-delta_H 0 # Not possible to calculate enthalpy of reaction Ca2Al2O5:8H2O
# Enthalpy of formation: 0 kcal/mol
Ca2Cl2(OH)2:H2O
Ca2Cl2(OH)2:H2O + 2 H+ = 2 Ca+2 + 2 Cl- + 3 H2O
log_k 26.2901
-delta_H 0 # Not possible to calculate enthalpy of reaction Ca2Cl2(OH)2:H2O
# Enthalpy of formation: 0 kcal/mol
Ca2V2O7
Ca2V2O7 + H2O = 2 Ca+2 + 2 H+ + 2 VO4-3
log_k -39.7129
-delta_H 0 # Not possible to calculate enthalpy of reaction Ca2V2O7
# Enthalpy of formation: -3083.46 kJ/mol
Ca3(AsO4)2
Ca3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Ca+2
log_k 17.816
-delta_H -149.956 kJ/mol # Calculated enthalpy of reaction Ca3(AsO4)2
# Enthalpy of formation: -3298.41 kJ/mol
-analytic -1.4011e+2 -4.2945e-2 1.0981e+4 5.4107e+1 1.8652e+2
# -Range: 0-200
Ca3Al2O6
Ca3Al2O6 + 12 H+ = 2 Al+3 + 3 Ca+2 + 6 H2O
log_k 113.046
-delta_H -833.336 kJ/mol # Calculated enthalpy of reaction Ca3Al2O6
# Enthalpy of formation: -857.492 kcal/mol
-analytic -2.7163e+2 -5.2897e-2 5.0815e+4 9.2946e+1 8.63e+2
# -Range: 0-200
Ca3V2O8
Ca3V2O8 = 2 VO4-3 + 3 Ca+2
log_k -18.3234
-delta_H 0 # Not possible to calculate enthalpy of reaction Ca3V2O8
# Enthalpy of formation: -3778.1 kJ/mol
Ca4Al2Fe2O10
Ca4Al2Fe2O10 + 20 H+ = 2 Al+3 + 2 Fe+3 + 4 Ca+2 + 10 H2O
log_k 140.505
-delta_H -1139.86 kJ/mol # Calculated enthalpy of reaction Ca4Al2Fe2O10
# Enthalpy of formation: -1211 kcal/mol
-analytic -4.1808e+2 -8.2787e-2 7.0288e+4 1.4043e+2 1.1937e+3
# -Range: 0-200
Ca4Al2O7:13H2O
Ca4Al2O7:13H2O + 14 H+ = 2 Al+3 + 4 Ca+2 + 20 H2O
log_k 107.2537
-delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Al2O7:13H2O
# Enthalpy of formation: 0 kcal/mol
Ca4Al2O7:19H2O
Ca4Al2O7:19H2O + 14 H+ = 2 Al+3 + 4 Ca+2 + 26 H2O
log_k 103.6812
-delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Al2O7:19H2O
# Enthalpy of formation: 0 kcal/mol
Ca4Cl2(OH)6:13H2O
Ca4Cl2(OH)6:13H2O + 6 H+ = 2 Cl- + 4 Ca+2 + 19 H2O
log_k 68.3283
-delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Cl2(OH)6:13H2O
# Enthalpy of formation: 0 kcal/mol
CaAl2O4
CaAl2O4 + 8 H+ = Ca+2 + 2 Al+3 + 4 H2O
log_k 46.9541
-delta_H -436.952 kJ/mol # Calculated enthalpy of reaction CaAl2O4
# Enthalpy of formation: -555.996 kcal/mol
-analytic -3.0378e+2 -7.9356e-2 3.0096e+4 1.1049e+2 4.6971e+2
# -Range: 0-300
CaAl2O4:10H2O
CaAl2O4:10H2O + 8 H+ = Ca+2 + 2 Al+3 + 14 H2O
log_k 37.9946
-delta_H 0 # Not possible to calculate enthalpy of reaction CaAl2O4:10H2O
# Enthalpy of formation: 0 kcal/mol
CaAl4O7
CaAl4O7 + 14 H+ = Ca+2 + 4 Al+3 + 7 H2O
log_k 68.6138
-delta_H -718.464 kJ/mol # Calculated enthalpy of reaction CaAl4O7
# Enthalpy of formation: -951.026 kcal/mol
-analytic -3.1044e+2 -6.7078e-2 4.4566e+4 1.0085e+2 7.5689e+2
# -Range: 0-200
CaSO4:0.5H2O(beta)
CaSO4:0.5H2O = 0.5 H2O + Ca+2 + SO4-2
log_k -3.4934
-delta_H -20.804 kJ/mol # Calculated enthalpy of reaction CaSO4:0.5H2O(beta)
# Enthalpy of formation: -1574.8 kJ/mol
-analytic -2.3054e+2 -8.2832e-2 5.9132e+3 9.3705e+1 9.2338e+1
# -Range: 0-300
CaSeO3:2H2O
CaSeO3:2H2O = Ca+2 + SeO3-2 + 2 H2O
log_k -4.6213
-delta_H -14.1963 kJ/mol # Calculated enthalpy of reaction CaSeO3:2H2O
# Enthalpy of formation: -384.741 kcal/mol
-analytic -4.1771e+1 -2.0735e-2 9.787e+2 1.618e+1 1.6634e+1
# -Range: 0-200
CaSeO4
CaSeO4 = Ca+2 + SeO4-2
log_k -3.09
-delta_H 0 # Not possible to calculate enthalpy of reaction CaSeO4
# Enthalpy of formation: 0 kcal/mol
CaUO4
CaUO4 + 4 H+ = Ca+2 + UO2+2 + 2 H2O
log_k 15.942
-delta_H -131.46 kJ/mol # Calculated enthalpy of reaction CaUO4
# Enthalpy of formation: -2002.3 kJ/mol
-analytic -8.7902e+1 -1.981e-2 9.2354e+3 3.1832e+1 1.4414e+2
# -Range: 0-300
CaV2O6
CaV2O6 + 2 H2O = Ca+2 + 2 VO4-3 + 4 H+
log_k -51.3617
-delta_H 0 # Not possible to calculate enthalpy of reaction CaV2O6
# Enthalpy of formation: -2329.34 kJ/mol
CaZrO3
CaZrO3 + 4 H+ = Ca+2 + H2O + Zr(OH)2+2
log_k -148.5015
-delta_H 801.282 kJ/mol # Calculated enthalpy of reaction CaZrO3
# Enthalpy of formation: -650.345 kcal/mol
-analytic -7.7908e+1 -1.4388e-2 -3.9635e+4 2.6932e+1 -6.7303e+2
# -Range: 0-200
Cadmoselite
CdSe = Cd+2 + Se-2
log_k -33.8428
-delta_H 0 # Not possible to calculate enthalpy of reaction Cadmoselite
# Enthalpy of formation: -34.6 kcal/mol
-analytic -5.3432e+1 -1.3973e-2 -5.8989e+3 1.7591e+1 -9.2031e+1
# -Range: 0-300
Calcite
CaCO3 + H+ = Ca+2 + HCO3-
log_k 1.8487
-delta_H -25.7149 kJ/mol # Calculated enthalpy of reaction Calcite
# Enthalpy of formation: -288.552 kcal/mol
-analytic -1.4978e+2 -4.837e-2 4.8974e+3 6.0458e+1 7.6464e+1
# -Range: 0-300
Calomel
Hg2Cl2 = Hg2+2 + 2 Cl-
log_k -17.8241
-delta_H 98.0267 kJ/mol # Calculated enthalpy of reaction Calomel
# Enthalpy of formation: -265.37 kJ/mol
-analytic -4.8868e+1 -2.554e-2 -2.8439e+3 1.9475e+1 -4.8277e+1
# -Range: 0-200
Carnallite
KMgCl3:6H2O = K+ + Mg+2 + 3 Cl- + 6 H2O
log_k 4.2721
-delta_H 0 # Not possible to calculate enthalpy of reaction Carnallite
# Enthalpy of formation: 0 kcal/mol
Carnotite
K2(UO2)2(VO4)2 = 2 K+ + 2 UO2+2 + 2 VO4-3
log_k -56.3811
-delta_H 0 # Not possible to calculate enthalpy of reaction Carnotite
# Enthalpy of formation: -1173.9 kJ/mol
Cassiterite
SnO2 + 2 H+ = 0.5 O2 + H2O + Sn+2
log_k -46.1203
-delta_H 280.048 kJ/mol # Calculated enthalpy of reaction Cassiterite
# Enthalpy of formation: -138.8 kcal/mol
-analytic -8.9264e+1 -1.5743e-2 -1.1497e+4 3.4917e+1 -1.7937e+2
# -Range: 0-300
Cattierite
CoS2 = Co+2 + S2-2
log_k -29.9067
-delta_H 0 # Not possible to calculate enthalpy of reaction Cattierite
# Enthalpy of formation: -36.589 kcal/mol
-analytic -2.197e+2 -7.8585e-2 -1.9592e+3 8.8809e+1 -3.0507e+1
# -Range: 0-300
Cd
Cd + 2 H+ + 0.5 O2 = Cd+2 + H2O
log_k 56.6062
-delta_H -355.669 kJ/mol # Calculated enthalpy of reaction Cd
# Enthalpy of formation: 0 kJ/mol
-analytic -7.2027e+1 -2.025e-2 2.0474e+4 2.6814e+1 -3.2348e+4
# -Range: 0-300
Cd(BO2)2
Cd(BO2)2 + 2 H+ + 2 H2O = Cd+2 + 2 B(OH)3
log_k 9.8299
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(BO2)2
# Enthalpy of formation: 0 kcal/mol
Cd(IO3)2
Cd(IO3)2 = Cd+2 + 2 IO3-
log_k -7.5848
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(IO3)2
# Enthalpy of formation: 0 kcal/mol
Cd(OH)2
Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
log_k 13.7382
-delta_H -87.0244 kJ/mol # Calculated enthalpy of reaction Cd(OH)2
# Enthalpy of formation: -560.55 kJ/mol
-analytic -7.7001e+1 -6.9251e-3 7.4684e+3 2.738e+1 1.2685e+2
# -Range: 0-200
Cd(OH)Cl
Cd(OH)Cl + H+ = Cd+2 + Cl- + H2O
log_k 3.5435
-delta_H -30.3888 kJ/mol # Calculated enthalpy of reaction Cd(OH)Cl
# Enthalpy of formation: -498.427 kJ/mol
-analytic -4.5477e+1 -1.5809e-2 2.5333e+3 1.8279e+1 4.3035e+1
# -Range: 0-200
Cd3(AsO4)2
Cd3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Cd+2
log_k 4.0625
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(AsO4)2
# Enthalpy of formation: 0 kcal/mol
Cd3(PO4)2
Cd3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Cd+2
log_k -7.8943
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(PO4)2
# Enthalpy of formation: 0 kcal/mol
Cd3(SO4)(OH)4
Cd3(SO4)(OH)4 + 4 H+ = SO4-2 + 3 Cd+2 + 4 H2O
log_k 22.5735
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(SO4)(OH)4
# Enthalpy of formation: 0 kcal/mol
Cd3(SO4)2(OH)2
Cd3(SO4)2(OH)2 + 2 H+ = 2 H2O + 2 SO4-2 + 3 Cd+2
log_k 6.718
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(SO4)2(OH)2
# Enthalpy of formation: 0 kcal/mol
CdBr2
CdBr2 = Cd+2 + 2 Br-
log_k -1.847
-delta_H -2.67548 kJ/mol # Calculated enthalpy of reaction CdBr2
# Enthalpy of formation: -316.229 kJ/mol
-analytic 1.3056e+0 -2.0628e-2 -1.3318e+3 3.0126e+0 -2.2616e+1
# -Range: 0-200
CdBr2:4H2O
CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O
log_k -2.3378
-delta_H 30.2812 kJ/mol # Calculated enthalpy of reaction CdBr2:4H2O
# Enthalpy of formation: -1492.54 kJ/mol
-analytic -1.0038e+2 -2.1045e-2 1.6896e+3 3.9864e+1 2.8726e+1
# -Range: 0-200
CdCl2
CdCl2 = Cd+2 + 2 Cl-
log_k -0.6474
-delta_H -18.5391 kJ/mol # Calculated enthalpy of reaction CdCl2
# Enthalpy of formation: -391.518 kJ/mol
-analytic -1.523e+1 -2.4574e-2 -8.1017e+1 8.9599e+0 -1.3702e+0
# -Range: 0-200
CdCl2(NH3)2
CdCl2(NH3)2 = Cd+2 + 2 Cl- + 2 NH3
log_k -8.7864
-delta_H 63.534 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)2
# Enthalpy of formation: -636.265 kJ/mol
-analytic -5.5283e+1 -2.1791e-2 -2.115e+3 2.4279e+1 -3.5896e+1
# -Range: 0-200
CdCl2(NH3)4
CdCl2(NH3)4 = Cd+2 + 2 Cl- + 4 NH3
log_k -6.8044
-delta_H 81.7931 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)4
# Enthalpy of formation: -817.198 kJ/mol
-analytic -9.5682e+1 -1.8853e-2 -8.3875e+2 3.9322e+1 -1.421e+1
# -Range: 0-200
CdCl2(NH3)6
CdCl2(NH3)6 = Cd+2 + 2 Cl- + 6 NH3
log_k -4.7524
-delta_H 97.2971 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)6
# Enthalpy of formation: -995.376 kJ/mol
-analytic -1.3662e+2 -1.5941e-2 5.8572e+2 5.4415e+1 9.9937e+0
# -Range: 0-200
CdCl2:H2O
CdCl2:H2O = Cd+2 + H2O + 2 Cl-
log_k -1.6747
-delta_H -7.44943 kJ/mol # Calculated enthalpy of reaction CdCl2:H2O
# Enthalpy of formation: -688.446 kJ/mol
-analytic -4.1097e+1 -2.4685e-2 5.2687e+2 1.8188e+1 8.9615e+0
# -Range: 0-200
CdCr2O4
CdCr2O4 + 8 H+ = Cd+2 + 2 Cr+3 + 4 H2O
log_k 14.9969
-delta_H -255.676 kJ/mol # Calculated enthalpy of reaction CdCr2O4
# Enthalpy of formation: -344.3 kcal/mol
-analytic -1.7446e+2 -9.1086e-3 1.9223e+4 5.1605e+1 3.265e+2
# -Range: 0-200
CdF2
CdF2 = Cd+2 + 2 F-
log_k -1.1464
-delta_H -46.064 kJ/mol # Calculated enthalpy of reaction CdF2
# Enthalpy of formation: -700.529 kJ/mol
-analytic -3.0654e+1 -2.479e-2 1.7893e+3 1.2482e+1 3.0395e+1
# -Range: 0-200
CdI2
CdI2 = Cd+2 + 2 I-
log_k -3.4825
-delta_H 13.7164 kJ/mol # Calculated enthalpy of reaction CdI2
# Enthalpy of formation: -203.419 kJ/mol
-analytic -1.5446e+1 -2.4758e-2 -1.6422e+3 1.0041e+1 -2.7882e+1
# -Range: 0-200
CdS
CdS + H+ = Cd+2 + HS-
log_k -15.9095
-delta_H 70.1448 kJ/mol # Calculated enthalpy of reaction CdS
# Enthalpy of formation: -162.151 kJ/mol
-analytic -2.9492e+1 -1.5181e-2 -3.4695e+3 1.2019e+1 -5.8907e+1
# -Range: 0-200
CdSO4
CdSO4 = Cd+2 + SO4-2
log_k -0.1061
-delta_H -52.1304 kJ/mol # Calculated enthalpy of reaction CdSO4
# Enthalpy of formation: -933.369 kJ/mol
-analytic 7.7104e+0 -1.7161e-2 8.7067e+2 -2.2763e+0 1.4783e+1
# -Range: 0-200
CdSO4:2.667H2O
CdSO4:2.667H2O = Cd+2 + SO4-2 + 2.667 H2O
log_k -1.8015
-delta_H -18.5302 kJ/mol # Calculated enthalpy of reaction CdSO4:2.667H2O
# Enthalpy of formation: -1729.3 kJ/mol
-analytic -5.0331e+1 -1.4983e-2 2.0271e+3 1.8665e+1 3.444e+1
# -Range: 0-200
CdSO4:H2O
CdSO4:H2O = Cd+2 + H2O + SO4-2
log_k -1.6529
-delta_H -31.6537 kJ/mol # Calculated enthalpy of reaction CdSO4:H2O
# Enthalpy of formation: -1239.68 kJ/mol
-analytic -1.7142e+1 -1.7295e-2 9.9184e+2 6.9943e+0 1.6849e+1
# -Range: 0-200
CdSeO3
CdSeO3 = Cd+2 + SeO3-2
log_k -8.8086
-delta_H -9.92156 kJ/mol # Calculated enthalpy of reaction CdSeO3
# Enthalpy of formation: -575.169 kJ/mol
-analytic 7.1762e+0 -1.8892e-2 -1.468e+3 -2.1984e+0 -2.4932e+1
# -Range: 0-200
CdSeO4
CdSeO4 = Cd+2 + SeO4-2
log_k -2.2132
-delta_H -41.9836 kJ/mol # Calculated enthalpy of reaction CdSeO4
# Enthalpy of formation: -633.063 kJ/mol
-analytic -4.9901e+0 -1.9755e-2 7.3162e+2 2.5063e+0 1.2426e+1
# -Range: 0-200
CdSiO3
CdSiO3 + 2 H+ = Cd+2 + H2O + SiO2
log_k 7.5136
-delta_H -50.3427 kJ/mol # Calculated enthalpy of reaction CdSiO3
# Enthalpy of formation: -1189.09 kJ/mol
-analytic 2.6419e+2 6.2488e-2 -5.3518e+3 -1.0401e+2 -9.0973e+1
# -Range: 0-200
Ce
Ce + 3 H+ + 0.75 O2 = Ce+3 + 1.5 H2O
log_k 182.9563
-delta_H -1120.06 kJ/mol # Calculated enthalpy of reaction Ce
# Enthalpy of formation: 0 kJ/mol
-analytic -5.1017e+1 -2.6149e-2 5.8511e+4 1.8382e+1 9.1302e+2
# -Range: 0-300
Ce(OH)3
Ce(OH)3 + 3 H+ = Ce+3 + 3 H2O
log_k 19.8852
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)3
# Enthalpy of formation: 0 kcal/mol
Ce(OH)3(am)
Ce(OH)3 + 3 H+ = Ce+3 + 3 H2O
log_k 21.1852
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)3(am)
# Enthalpy of formation: 0 kcal/mol
Ce2(CO3)3:8H2O
Ce2(CO3)3:8H2O + 3 H+ = 2 Ce+3 + 3 HCO3- + 8 H2O
log_k -4.1136
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce2(CO3)3:8H2O
# Enthalpy of formation: 0 kcal/mol
Ce2O3
Ce2O3 + 6 H+ = 2 Ce+3 + 3 H2O
log_k 62.3
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce2O3
# Enthalpy of formation: 0 kcal/mol
Ce3(PO4)4
Ce3(PO4)4 + 4 H+ = 3 Ce+4 + 4 HPO4-2
log_k -40.8127
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce3(PO4)4
# Enthalpy of formation: 0 kcal/mol
CeF3:.5H2O
CeF3:.5H2O = 0.5 H2O + Ce+3 + 3 F-
log_k -18.8
-delta_H 0 # Not possible to calculate enthalpy of reaction CeF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
CeO2
CeO2 + 4 H+ = Ce+4 + 2 H2O
log_k -8.16
-delta_H 0 # Not possible to calculate enthalpy of reaction CeO2
# Enthalpy of formation: 0 kcal/mol
CePO4:10H2O
CePO4:10H2O + H+ = Ce+3 + HPO4-2 + 10 H2O
log_k -12.2782
-delta_H 0 # Not possible to calculate enthalpy of reaction CePO4:10H2O
# Enthalpy of formation: 0 kcal/mol
Celadonite
KMgAlSi4O10(OH)2 + 6 H+ = Al+3 + K+ + Mg+2 + 4 H2O + 4 SiO2
log_k 7.4575
-delta_H -74.3957 kJ/mol # Calculated enthalpy of reaction Celadonite
# Enthalpy of formation: -1394.9 kcal/mol
-analytic -3.3097e+1 1.7989e-2 1.8919e+4 -2.1219e+0 -2.0588e+6
# -Range: 0-300
Celestite
SrSO4 = SO4-2 + Sr+2
log_k -5.6771
-delta_H -7.40568 kJ/mol # Calculated enthalpy of reaction Celestite
# Enthalpy of formation: -347.3 kcal/mol
-analytic -1.9063e+2 -7.4552e-2 3.905e+3 7.8416e+1 6.0991e+1
# -Range: 0-300
Cerussite
PbCO3 + H+ = HCO3- + Pb+2
log_k -3.2091
-delta_H 13.8992 kJ/mol # Calculated enthalpy of reaction Cerussite
# Enthalpy of formation: -168 kcal/mol
-analytic -1.2887e+2 -4.4372e-2 2.2336e+3 5.3091e+1 3.4891e+1
# -Range: 0-300
Chalcanthite
CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O
log_k -2.6215
-delta_H 6.57556 kJ/mol # Calculated enthalpy of reaction Chalcanthite
# Enthalpy of formation: -2279.68 kJ/mol
-analytic -1.1262e+2 -1.5544e-2 3.6176e+3 4.142e+1 6.1471e+1
# -Range: 0-200
Chalcedony
SiO2 = SiO2
log_k -3.7281
-delta_H 31.4093 kJ/mol # Calculated enthalpy of reaction Chalcedony
# Enthalpy of formation: -217.282 kcal/mol
-analytic -9.0068e+0 9.3241e-3 4.0535e+3 -1.083e+0 -7.5077e+5
# -Range: 0-300
Chalcocite
Cu2S + H+ = HS- + 2 Cu+
log_k -34.7342
-delta_H 206.748 kJ/mol # Calculated enthalpy of reaction Chalcocite
# Enthalpy of formation: -19 kcal/mol
-analytic -1.3703e+2 -4.0727e-2 -7.1694e+3 5.5963e+1 -1.1183e+2
# -Range: 0-300
Chalcocyanite
CuSO4 = Cu+2 + SO4-2
log_k 2.9239
-delta_H -72.5128 kJ/mol # Calculated enthalpy of reaction Chalcocyanite
# Enthalpy of formation: -771.4 kJ/mol
-analytic 5.8173e+0 -1.6933e-2 2.0097e+3 -1.8583e+0 3.4126e+1
# -Range: 0-200
Chalcopyrite
CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS-
log_k -32.5638
-delta_H 127.206 kJ/mol # Calculated enthalpy of reaction Chalcopyrite
# Enthalpy of formation: -44.453 kcal/mol
-analytic -3.1575e+2 -9.8947e-2 8.34e+2 1.2522e+2 1.3106e+1
# -Range: 0-300
Chamosite-7A
Fe2Al2SiO5(OH)4 + 10 H+ = SiO2 + 2 Al+3 + 2 Fe+2 + 7 H2O
log_k 32.8416
-delta_H -364.213 kJ/mol # Calculated enthalpy of reaction Chamosite-7A
# Enthalpy of formation: -902.407 kcal/mol
-analytic -2.5581e+2 -7.089e-2 2.4619e+4 9.1789e+1 3.8424e+2
# -Range: 0-300
Chlorargyrite
AgCl = Ag+ + Cl-
log_k -9.7453
-delta_H 65.739 kJ/mol # Calculated enthalpy of reaction Chlorargyrite
# Enthalpy of formation: -30.37 kcal/mol
-analytic -9.6834e+1 -3.4624e-2 -1.182e+3 4.0962e+1 -1.8415e+1
# -Range: 0-300
Chloromagnesite
MgCl2 = Mg+2 + 2 Cl-
log_k 21.8604
-delta_H -158.802 kJ/mol # Calculated enthalpy of reaction Chloromagnesite
# Enthalpy of formation: -641.317 kJ/mol
-analytic -2.364e+2 -8.2017e-2 1.348e+4 9.5963e+1 2.1042e+2
# -Range: 0-300
Chromite
FeCr2O4 + 8 H+ = Fe+2 + 2 Cr+3 + 4 H2O
log_k 15.1685
-delta_H -267.755 kJ/mol # Calculated enthalpy of reaction Chromite
# Enthalpy of formation: -1444.83 kJ/mol
-analytic -1.906e+2 -2.5695e-2 1.9465e+4 5.9865e+1 3.0379e+2
# -Range: 0-300
Chrysocolla
CuSiH4O5 + 2 H+ = Cu+2 + SiO2 + 3 H2O
log_k 6.2142
-delta_H 0 # Not possible to calculate enthalpy of reaction Chrysocolla
# Enthalpy of formation: 0 kcal/mol
Chrysotile
Mg3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O
log_k 31.1254
-delta_H -218.041 kJ/mol # Calculated enthalpy of reaction Chrysotile
# Enthalpy of formation: -1043.12 kcal/mol
-analytic -9.2462e+1 -1.1359e-2 1.8312e+4 2.9289e+1 -6.2342e+5
# -Range: 0-300
Cinnabar
HgS + H+ = HS- + Hg+2
log_k -38.9666
-delta_H 207.401 kJ/mol # Calculated enthalpy of reaction Cinnabar
# Enthalpy of formation: -12.75 kcal/mol
-analytic -1.5413e+2 -4.6846e-2 -6.9806e+3 6.1639e+1 -1.0888e+2
# -Range: 0-300
Claudetite
As2O3 + 3 H2O = 2 H+ + 2 H2AsO3-
log_k -19.7647
-delta_H 82.3699 kJ/mol # Calculated enthalpy of reaction Claudetite
# Enthalpy of formation: -654.444 kJ/mol
-analytic -1.4164e+2 -6.3704e-2 -2.1679e+3 5.9856e+1 -3.3787e+1
# -Range: 0-300
Clausthalite
PbSe = Pb+2 + Se-2
log_k -36.2531
-delta_H 0 # Not possible to calculate enthalpy of reaction Clausthalite
# Enthalpy of formation: -102.9 kJ/mol
-analytic -2.6473e+1 -1.0666e-2 -8.554e+3 8.9226e+0 -1.3347e+2
# -Range: 0-300
Clinochalcomenite
CuSeO3:2H2O = Cu+2 + SeO3-2 + 2 H2O
log_k -6.7873
-delta_H -31.6645 kJ/mol # Calculated enthalpy of reaction Clinochalcomenite
# Enthalpy of formation: -235.066 kcal/mol
-analytic -4.6465e+1 -1.8071e-2 2.0307e+3 1.5455e+1 3.4499e+1
# -Range: 0-200
Clinochlore-14A
Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O
log_k 67.2391
-delta_H -612.379 kJ/mol # Calculated enthalpy of reaction Clinochlore-14A
# Enthalpy of formation: -2116.96 kcal/mol
-analytic -2.0441e+2 -6.2268e-2 3.5388e+4 6.9239e+1 5.5225e+2
# -Range: 0-300
Clinochlore-7A
Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O
log_k 70.6124
-delta_H -628.14 kJ/mol # Calculated enthalpy of reaction Clinochlore-7A
# Enthalpy of formation: -2113.2 kcal/mol
-analytic -2.1644e+2 -6.4187e-2 3.6548e+4 7.4123e+1 5.7037e+2
# -Range: 0-300
Clinoptilolite
# Na.954K.543Ca.761Mg.124Sr.036Ba.062Mn.002Al3.45F +13.8680 H+ = + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 14.5330 SiO2 17.8560 H2O
Na.954K.543Ca.761Mg.124Sr.036Ba.062Mn.002Al3.45Fe.017Si14.533O46.922H21.844 + 13.868 H+ = 0.002 Mn+2 + 0.017 Fe+3 + 0.036 Sr+2 + 0.062 Ba+2 + 0.124 Mg+2 + 0.543 K+ + 0.761 Ca+2 + 0.954 Na+ + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O
log_k -9.7861
-delta_H -20.8784 kJ/mol # Calculated enthalpy of reaction Clinoptilolite
# Enthalpy of formation: -20587.8 kJ/mol
-analytic -1.3213e+0 6.496e-2 5.063e+4 -4.612e+1 -7.4699e+6
# -Range: 0-300
Clinoptilolite-Ca
Ca1.7335Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Ca+2 + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O
log_k -7.0095
-delta_H -74.6745 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Ca
# Enthalpy of formation: -4919.84 kcal/mol
-analytic -4.482e+1 5.3696e-2 5.4878e+4 -3.1459e+1 -7.5491e+6
# -Range: 0-300
Clinoptilolite-Cs
Cs3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Cs+ + 14.533 SiO2 + 17.856 H2O
log_k -13.0578
-delta_H 96.9005 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Cs
# Enthalpy of formation: -4949.65 kcal/mol
-analytic -8.4746e+0 7.1997e-2 4.9675e+4 -4.1406e+1 -8.0632e+6
# -Range: 0-300
Clinoptilolite-K
K3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 14.533 SiO2 + 17.856 H2O
log_k -10.9485
-delta_H 67.4862 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-K
# Enthalpy of formation: -4937.77 kcal/mol
-analytic 1.1697e+1 6.948e-2 4.7718e+4 -4.7442e+1 -7.6907e+6
# -Range: 0-300
Clinoptilolite-NH4
(NH4)3.467Al3.45Fe.017Si14.533O36:10.922H2O + 10.401 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 NH3 + 14.533 SiO2 + 17.856 H2O
log_k -42.4791
-delta_H 0 # Not possible to calculate enthalpy of reaction Clinoptilolite-NH4
# Enthalpy of formation: 0 kcal/mol
Clinoptilolite-Na
Na3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Na+ + 14.533 SiO2 + 17.856 H2O
log_k -7.1363
-delta_H 2.32824 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Na
# Enthalpy of formation: -4912.36 kcal/mol
-analytic -3.4572e+1 6.8377e-2 5.1962e+4 -3.3426e+1 -7.5586e+6
# -Range: 0-300
Clinoptilolite-Sr
Sr1.7335Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Sr+2 + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O
log_k -7.1491
-delta_H -66.2129 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Sr
# Enthalpy of formation: -4925.1 kcal/mol
-analytic 3.2274e+1 6.705e-2 5.088e+4 -5.9597e+1 -7.3876e+6
# -Range: 0-300
Clinoptilolite-dehy
# Sr.036Mg.124Ca.761Mn.002Ba.062K.543Na.954Al3.45F +13.8680 H+ = + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 6.9340 H2O 14.5330 SiO2
Sr.036Mg.124Ca.761Mn.002Ba.062K.543Na.954Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.002 Mn+2 + 0.017 Fe+3 + 0.036 Sr+2 + 0.062 Ba+2 + 0.124 Mg+2 + 0.543 K+ + 0.761 Ca+2 + 0.954 Na+ + 3.45 Al+3 + 6.934 H2O + 14.533 SiO2
log_k 25.849
-delta_H -276.592 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy
# Enthalpy of formation: -17210.2 kJ/mol
-analytic -2.0505e+2 6.0155e-2 8.2682e+4 1.5333e+1 -9.1369e+6
# -Range: 0-300
Clinoptilolite-dehy-Ca
Ca1.7335Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 1.7335 Ca+2 + 3.45 Al+3 + 6.934 H2O + 14.533 SiO2
log_k 28.6255
-delta_H -329.278 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Ca
# Enthalpy of formation: -4112.83 kcal/mol
-analytic -1.2948e+2 6.5698e-2 8.0229e+4 -1.2812e+1 -8.832e+6
# -Range: 0-300
Clinoptilolite-dehy-Cs
Cs3.467Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Cs+ + 6.934 H2O + 14.533 SiO2
log_k 22.5771
-delta_H -164.837 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Cs
# Enthalpy of formation: -4140.93 kcal/mol
-analytic -1.2852e+2 7.9047e-2 7.7262e+4 -1.0422e+1 -9.4504e+6
# -Range: 0-300
Clinoptilolite-dehy-K
K3.467Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 6.934 H2O + 14.533 SiO2
log_k 24.6865
-delta_H -191.289 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-K
# Enthalpy of formation: -4129.76 kcal/mol
-analytic -1.2241e+2 7.4761e-2 7.6067e+4 -1.1315e+1 -9.1389e+6
# -Range: 0-300
Clinoptilolite-dehy-NH4
(NH4)3.467Al3.45Fe.017Si14.533O36 + 10.401 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 NH3 + 6.934 H2O + 14.533 SiO2
log_k -6.8441
-delta_H 0 # Not possible to calculate enthalpy of reaction Clinoptilolite-dehy-NH4
# Enthalpy of formation: 0 kcal/mol
Clinoptilolite-dehy-Na
Na3.467Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Na+ + 6.934 H2O + 14.533 SiO2
log_k 28.4987
-delta_H -253.798 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Na
# Enthalpy of formation: -4104.98 kcal/mol
-analytic -1.4386e+2 7.6846e-2 7.8723e+4 -5.9741e+0 -8.9159e+6
# -Range: 0-300
Clinoptilolite-dehy-Sr
Sr1.7335Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 1.7335 Sr+2 + 3.45 Al+3 + 6.934 H2O + 14.533 SiO2
log_k 28.4859
-delta_H -321.553 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Sr
# Enthalpy of formation: -4117.92 kcal/mol
-analytic -1.841e+2 6.0457e-2 8.3626e+4 6.4304e+0 -9.0962e+6
# -Range: 0-300
Clinoptilolite-hy-Ca
# Ca1.7335Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 18.5790 H2O
Ca1.7335Al3.45Fe.017Si14.533O36:11.645H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Ca+2 + 3.45 Al+3 + 14.533 SiO2 + 18.579 H2O
log_k -7.0108
-delta_H -65.4496 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Ca
# Enthalpy of formation: -4971.44 kcal/mol
-analytic 8.6833e+1 7.152e-2 4.6854e+4 -7.8023e+1 -7.09e+6
# -Range: 0-300
Clinoptilolite-hy-Cs
# Cs3.467Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 13.1640 H2O + 14.5330 SiO2
Cs3.467Al3.45Fe.017Si14.533O36:6.23H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Cs+ + 13.164 H2O + 14.533 SiO2
log_k -13.0621
-delta_H 44.6397 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Cs
# Enthalpy of formation: -4616.61 kcal/mol
-analytic -2.3362e+1 7.4922e-2 5.4544e+4 -4.1092e+1 -8.3387e+6
# -Range: 0-300
Clinoptilolite-hy-K
# K3.467Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.4330 H2O + 14.5330 SiO2
K3.467Al3.45Fe.017Si14.533O36:7.499H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 14.433 H2O + 14.533 SiO2
log_k -10.9523
-delta_H 29.5879 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-K
# Enthalpy of formation: -4694.86 kcal/mol
-analytic 1.6223e+1 7.3919e-2 5.0447e+4 -5.279e+1 -7.8484e+6
# -Range: 0-300
Clinoptilolite-hy-Na
# Na3.467Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8110 H2O
Na3.467Al3.45Fe.017Si14.533O36:10.877H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Na+ + 14.533 SiO2 + 17.811 H2O
log_k -7.1384
-delta_H 1.88166 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Na
# Enthalpy of formation: -4909.18 kcal/mol
-analytic -8.4189e+0 7.2018e-2 5.0501e+4 -4.2851e+1 -7.4714e+6
# -Range: 0-300
Clinoptilolite-hy-Sr
# Sr1.7335Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 20.8270 H2O
Sr1.7335Al3.45Fe.017Si14.533O36:13.893H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Sr+2 + 3.45 Al+3 + 14.533 SiO2 + 20.827 H2O
log_k -7.1498
-delta_H -31.6858 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Sr
# Enthalpy of formation: -5136.33 kcal/mol
-analytic 1.0742e-1 5.9065e-2 4.9985e+4 -4.4648e+1 -7.3382e+6
# -Range: 0-300
Clinozoisite
Ca2Al3Si3O12(OH) + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O
log_k 43.2569
-delta_H -457.755 kJ/mol # Calculated enthalpy of reaction Clinozoisite
# Enthalpy of formation: -1643.78 kcal/mol
-analytic -2.869e+1 -3.7056e-2 2.277e+4 3.788e+0 -2.5834e+5
# -Range: 0-300
Co
Co + 2 H+ + 0.5 O2 = Co+2 + H2O
log_k 52.5307
-delta_H -337.929 kJ/mol # Calculated enthalpy of reaction Co
# Enthalpy of formation: 0 kJ/mol
-analytic -6.2703e+1 -2.0172e-2 1.8888e+4 2.3391e+1 2.9474e+2
# -Range: 0-300
Co(NO3)2
Co(NO3)2 = Co+2 + 2 NO3-
log_k 8
-delta_H 0 # Not possible to calculate enthalpy of reaction Co(NO3)2
# Enthalpy of formation: 0 kcal/mol
Co(OH)2
Co(OH)2 + 2 H+ = Co+2 + 2 H2O
log_k 12.3
-delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)2
# Enthalpy of formation: 0 kcal/mol
Co2SiO4
Co2SiO4 + 4 H+ = SiO2 + 2 Co+2 + 2 H2O
log_k 6.6808
-delta_H -88.6924 kJ/mol # Calculated enthalpy of reaction Co2SiO4
# Enthalpy of formation: -353.011 kcal/mol
-analytic -3.9978e+0 -3.7985e-3 5.1554e+3 -1.5033e+0 -1.61e+5
# -Range: 0-300
Co3(AsO4)2
Co3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Co+2
log_k 8.5318
-delta_H 0 # Not possible to calculate enthalpy of reaction Co3(AsO4)2
# Enthalpy of formation: 0 kcal/mol
Co3(PO4)2
Co3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Co+2
log_k -10.0123
-delta_H 0 # Not possible to calculate enthalpy of reaction Co3(PO4)2
# Enthalpy of formation: 0 kcal/mol
CoCl2
CoCl2 = Co+2 + 2 Cl-
log_k 8.2641
-delta_H -79.5949 kJ/mol # Calculated enthalpy of reaction CoCl2
# Enthalpy of formation: -312.722 kJ/mol
-analytic -2.2386e+2 -8.0936e-2 8.8631e+3 9.1528e+1 1.3837e+2
# -Range: 0-300
CoCl2:2H2O
CoCl2:2H2O = Co+2 + 2 Cl- + 2 H2O
log_k 4.6661
-delta_H -40.7876 kJ/mol # Calculated enthalpy of reaction CoCl2:2H2O
# Enthalpy of formation: -923.206 kJ/mol
-analytic -5.6411e+1 -2.339e-2 3.0519e+3 2.3361e+1 5.1845e+1
# -Range: 0-200
CoCl2:6H2O
CoCl2:6H2O = Co+2 + 2 Cl- + 6 H2O
log_k 2.6033
-delta_H 8.32709 kJ/mol # Calculated enthalpy of reaction CoCl2:6H2O
# Enthalpy of formation: -2115.67 kJ/mol
-analytic -1.5066e+2 -2.2132e-2 5.0591e+3 5.7743e+1 8.5962e+1
# -Range: 0-200
CoF2
CoF2 = Co+2 + 2 F-
log_k -5.1343
-delta_H -36.6708 kJ/mol # Calculated enthalpy of reaction CoF2
# Enthalpy of formation: -692.182 kJ/mol
-analytic -2.5667e+2 -8.4071e-2 7.6256e+3 1.0143e+2 1.1907e+2
# -Range: 0-300
CoF3
CoF3 = Co+3 + 3 F-
log_k -4.9558
-delta_H -103.136 kJ/mol # Calculated enthalpy of reaction CoF3
# Enthalpy of formation: -193.8 kcal/mol
-analytic -3.7854e+2 -1.2911e-1 1.3215e+4 1.4859e+2 2.0632e+2
# -Range: 0-300
CoFe2O4
CoFe2O4 + 8 H+ = Co+2 + 2 Fe+3 + 4 H2O
log_k 0.8729
-delta_H -160.674 kJ/mol # Calculated enthalpy of reaction CoFe2O4
# Enthalpy of formation: -272.466 kcal/mol
-analytic -3.0149e+2 -7.9159e-2 1.5683e+4 1.1046e+2 2.448e+2
# -Range: 0-300
CoHPO4
CoHPO4 = Co+2 + HPO4-2
log_k -6.7223
-delta_H 0 # Not possible to calculate enthalpy of reaction CoHPO4
# Enthalpy of formation: 0 kcal/mol
CoO
CoO + 2 H+ = Co+2 + H2O
log_k 13.5553
-delta_H -106.05 kJ/mol # Calculated enthalpy of reaction CoO
# Enthalpy of formation: -237.946 kJ/mol
-analytic -8.4424e+1 -1.9457e-2 7.8616e+3 3.1281e+1 1.227e+2
# -Range: 0-300
CoS
CoS + H+ = Co+2 + HS-
log_k -7.374
-delta_H 10.1755 kJ/mol # Calculated enthalpy of reaction CoS
# Enthalpy of formation: -20.182 kcal/mol
-analytic -1.5128e+2 -4.8484e-2 2.9553e+3 5.9983e+1 4.6158e+1
# -Range: 0-300
CoSO4
CoSO4 = Co+2 + SO4-2
log_k 2.8996
-delta_H -79.7952 kJ/mol # Calculated enthalpy of reaction CoSO4
# Enthalpy of formation: -887.964 kJ/mol
-analytic -1.9907e+2 -7.789e-2 7.7193e+3 8.0525e+1 1.2051e+2
# -Range: 0-300
CoSO4.3Co(OH)2
CoSO4(Co(OH)2)3 + 6 H+ = SO4-2 + 4 Co+2 + 6 H2O
log_k 33.2193
-delta_H -379.41 kJ/mol # Calculated enthalpy of reaction CoSO4.3Co(OH)2
# Enthalpy of formation: -2477.85 kJ/mol
-analytic -2.283e+2 -4.0197e-2 2.5937e+4 7.5367e+1 4.4053e+2
# -Range: 0-200
CoSO4:6H2O
CoSO4:6H2O = Co+2 + SO4-2 + 6 H2O
log_k -2.3512
-delta_H 1.08483 kJ/mol # Calculated enthalpy of reaction CoSO4:6H2O
# Enthalpy of formation: -2683.87 kJ/mol
-analytic -2.5469e+2 -7.3092e-2 6.6767e+3 1.0172e+2 1.0426e+2
# -Range: 0-300
CoSO4:H2O
CoSO4:H2O = Co+2 + H2O + SO4-2
log_k -1.2111
-delta_H -52.6556 kJ/mol # Calculated enthalpy of reaction CoSO4:H2O
# Enthalpy of formation: -287.032 kcal/mol
-analytic -1.057e+1 -1.6196e-2 1.718e+3 3.4e+0 2.9178e+1
# -Range: 0-200
CoSeO3
CoSeO3 = Co+2 + SeO3-2
log_k -7.08
-delta_H 0 # Not possible to calculate enthalpy of reaction CoSeO3
# Enthalpy of formation: 0 kcal/mol
CoWO4
CoWO4 = Co+2 + WO4-2
log_k -12.2779
-delta_H 13.6231 kJ/mol # Calculated enthalpy of reaction CoWO4
# Enthalpy of formation: -274.256 kcal/mol
-analytic -3.7731e+1 -2.4719e-2 -1.0347e+3 1.4663e+1 -1.7558e+1
# -Range: 0-200
Coesite
SiO2 = SiO2
log_k -3.1893
-delta_H 28.6144 kJ/mol # Calculated enthalpy of reaction Coesite
# Enthalpy of formation: -216.614 kcal/mol
-analytic -9.7312e+0 9.1773e-3 4.2143e+3 -7.8065e-1 -7.4905e+5
# -Range: 0-300
Coffinite
USiO4 + 4 H+ = SiO2 + U+4 + 2 H2O
log_k -8.053
-delta_H -49.2493 kJ/mol # Calculated enthalpy of reaction Coffinite
# Enthalpy of formation: -1991.33 kJ/mol
-analytic 2.3126e+2 6.2389e-2 -4.6189e+3 -9.7976e+1 -7.8517e+1
# -Range: 0-200
Colemanite
Ca2B6O11:5H2O + 4 H+ + 2 H2O = 2 Ca+2 + 6 B(OH)3
log_k 21.5148
-delta_H 0 # Not possible to calculate enthalpy of reaction Colemanite
# Enthalpy of formation: 0 kcal/mol
Cordierite_anhyd
Mg2Al4Si5O18 + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 8 H2O
log_k 52.3035
-delta_H -626.219 kJ/mol # Calculated enthalpy of reaction Cordierite_anhyd
# Enthalpy of formation: -2183.2 kcal/mol
-analytic 2.6562e+0 -2.3801e-2 3.5192e+4 -1.9911e+1 -1.0894e+6
# -Range: 0-300
Cordierite_hydr
Mg2Al4Si5O18:H2O + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 9 H2O
log_k 49.8235
-delta_H -608.814 kJ/mol # Calculated enthalpy of reaction Cordierite_hydr
# Enthalpy of formation: -2255.68 kcal/mol
-analytic -1.2985e+2 -4.1335e-2 4.1566e+4 2.7892e+1 -1.4819e+6
# -Range: 0-300
Corkite
PbFe3(PO4)(SO4)(OH)6 + 7 H+ = HPO4-2 + Pb+2 + SO4-2 + 3 Fe+3 + 6 H2O
log_k -9.7951
-delta_H 0 # Not possible to calculate enthalpy of reaction Corkite
# Enthalpy of formation: 0 kcal/mol
Corundum
Al2O3 + 6 H+ = 2 Al+3 + 3 H2O
log_k 18.3121
-delta_H -258.626 kJ/mol # Calculated enthalpy of reaction Corundum
# Enthalpy of formation: -400.5 kcal/mol
-analytic -1.4278e+2 -7.8519e-2 1.3776e+4 5.5881e+1 2.1501e+2
# -Range: 0-300
Cotunnite
PbCl2 = Pb+2 + 2 Cl-
log_k -4.8406
-delta_H 26.1441 kJ/mol # Calculated enthalpy of reaction Cotunnite
# Enthalpy of formation: -359.383 kJ/mol
-analytic 1.9624e+1 -1.9161e-2 -3.4686e+3 -2.8806e+0 -5.8909e+1
# -Range: 0-200
Covellite
CuS + H+ = Cu+2 + HS-
log_k -22.831
-delta_H 101.88 kJ/mol # Calculated enthalpy of reaction Covellite
# Enthalpy of formation: -12.5 kcal/mol
-analytic -1.6068e+2 -4.904e-2 -1.4234e+3 6.3536e+1 -2.2164e+1
# -Range: 0-300
Cr
Cr + 3 H+ + 0.75 O2 = Cr+3 + 1.5 H2O
log_k 98.6784
-delta_H -658.145 kJ/mol # Calculated enthalpy of reaction Cr
# Enthalpy of formation: 0 kJ/mol
-analytic -2.2488e+1 -5.5886e-3 3.4288e+4 3.1585e+0 5.3503e+2
# -Range: 0-300
CrCl3
CrCl3 = Cr+3 + 3 Cl-
log_k 17.9728
-delta_H -183.227 kJ/mol # Calculated enthalpy of reaction CrCl3
# Enthalpy of formation: -556.5 kJ/mol
-analytic -2.6348e+2 -9.5339e-2 1.4785e+4 1.0517e+2 2.3079e+2
# -Range: 0-300
CrF3
CrF3 = Cr+3 + 3 F-
log_k -8.5713
-delta_H -85.5293 kJ/mol # Calculated enthalpy of reaction CrF3
# Enthalpy of formation: -277.008 kcal/mol
-analytic -3.2175e+2 -1.0279e-1 1.1394e+4 1.2348e+2 1.7789e+2
# -Range: 0-300
CrF4
CrF4 + 2 H2O = 0.5 Cr+2 + 0.5 CrO4-2 + 4 F- + 4 H+
log_k -12.3132
-delta_H -35.2125 kJ/mol # Calculated enthalpy of reaction CrF4
# Enthalpy of formation: -298 kcal/mol
-analytic 4.3136e+1 -4.3783e-2 -3.6809e+3 -1.2153e+1 -6.2521e+1
# -Range: 0-200
CrI3
CrI3 = Cr+3 + 3 I-
log_k 25.6112
-delta_H -204.179 kJ/mol # Calculated enthalpy of reaction CrI3
# Enthalpy of formation: -49 kcal/mol
-analytic 4.9232e+0 -2.5164e-2 8.4026e+3 0e+0 0e+0
# -Range: 0-200
CrO2
CrO2 = 0.5 Cr+2 + 0.5 CrO4-2
log_k -19.1332
-delta_H 85.9812 kJ/mol # Calculated enthalpy of reaction CrO2
# Enthalpy of formation: -143 kcal/mol
-analytic 2.7763e+0 -7.7698e-3 -5.2893e+3 -7.497e-1 -8.9821e+1
# -Range: 0-200
CrO3
CrO3 + H2O = CrO4-2 + 2 H+
log_k -3.5221
-delta_H -5.78647 kJ/mol # Calculated enthalpy of reaction CrO3
# Enthalpy of formation: -140.9 kcal/mol
-analytic -1.3262e+2 -6.1411e-2 2.2083e+3 5.6564e+1 3.4497e+1
# -Range: 0-300
CrS
CrS + H+ = Cr+2 + HS-
log_k -0.6304
-delta_H -26.15 kJ/mol # Calculated enthalpy of reaction CrS
# Enthalpy of formation: -31.9 kcal/mol
-analytic -1.1134e+2 -3.5954e-2 3.8744e+3 4.3815e+1 6.049e+1
# -Range: 0-300
Cristobalite(alpha)
SiO2 = SiO2
log_k -3.4488
-delta_H 29.2043 kJ/mol # Calculated enthalpy of reaction Cristobalite(alpha)
# Enthalpy of formation: -216.755 kcal/mol
-analytic -1.1936e+1 9.052e-3 4.3701e+3 -1.1464e-1 -7.6568e+5
# -Range: 0-300
Cristobalite(beta)
SiO2 = SiO2
log_k -3.0053
-delta_H 24.6856 kJ/mol # Calculated enthalpy of reaction Cristobalite(beta)
# Enthalpy of formation: -215.675 kcal/mol
-analytic -4.7414e+0 9.7567e-3 3.8831e+3 -2.583e+0 -6.9636e+5
# -Range: 0-300
Crocoite
PbCrO4 = CrO4-2 + Pb+2
log_k -12.7177
-delta_H 48.6181 kJ/mol # Calculated enthalpy of reaction Crocoite
# Enthalpy of formation: -222 kcal/mol
-analytic 3.0842e+1 -1.443e-2 -5.0292e+3 -9.0525e+0 -8.5414e+1
# -Range: 0-200
Cronstedtite-7A
Fe2Fe2SiO5(OH)4 + 10 H+ = SiO2 + 2 Fe+2 + 2 Fe+3 + 7 H2O
log_k 16.2603
-delta_H -244.266 kJ/mol # Calculated enthalpy of reaction Cronstedtite-7A
# Enthalpy of formation: -697.413 kcal/mol
-analytic -2.3783e+2 -7.1026e-2 1.7752e+4 8.7147e+1 2.7707e+2
# -Range: 0-300
Cs
Cs + H+ + 0.25 O2 = 0.5 H2O + Cs+
log_k 72.5987
-delta_H -397.913 kJ/mol # Calculated enthalpy of reaction Cs
# Enthalpy of formation: 0 kJ/mol
-analytic -1.2875e+1 -7.3845e-3 2.1019e+4 6.9347e+0 3.2799e+2
# -Range: 0-300
Cs2NaAmCl6
Cs2NaAmCl6 = Am+3 + Na+ + 2 Cs+ + 6 Cl-
log_k 11.7089
-delta_H -59.7323 kJ/mol # Calculated enthalpy of reaction Cs2NaAmCl6
# Enthalpy of formation: -2315.8 kJ/mol
-analytic 5.1683e+1 -5.034e-2 -2.3205e+3 -6.9536e+0 -3.9422e+1
# -Range: 0-200
Cs2U2O7
Cs2U2O7 + 6 H+ = 2 Cs+ + 2 UO2+2 + 3 H2O
log_k 31.0263
-delta_H -191.57 kJ/mol # Calculated enthalpy of reaction Cs2U2O7
# Enthalpy of formation: -3220 kJ/mol
-analytic -5.1436e+1 -7.4096e-3 1.2524e+4 1.7827e+1 -1.2899e+5
# -Range: 0-300
Cs2U4O12
Cs2U4O12 + 8 H+ = 2 Cs+ + 2 UO2+ + 2 UO2+2 + 4 H2O
log_k 18.946
-delta_H -175.862 kJ/mol # Calculated enthalpy of reaction Cs2U4O12
# Enthalpy of formation: -5571.8 kJ/mol
-analytic -3.3411e+1 3.6196e-3 1.0508e+4 6.5823e+0 -2.3403e+4
# -Range: 0-300
Cs2UO4
Cs2UO4 + 4 H+ = UO2+2 + 2 Cs+ + 2 H2O
log_k 35.893
-delta_H -178.731 kJ/mol # Calculated enthalpy of reaction Cs2UO4
# Enthalpy of formation: -1928 kJ/mol
-analytic -3.095e+1 -3.565e-3 1.069e+4 1.2949e+1 1.6682e+2
# -Range: 0-300
Cu
Cu + 2 H+ + 0.5 O2 = Cu+2 + H2O
log_k 31.5118
-delta_H -214.083 kJ/mol # Calculated enthalpy of reaction Cu
# Enthalpy of formation: 0 kcal/mol
-analytic -7.0719e+1 -2.03e-2 1.2802e+4 2.6401e+1 1.9979e+2
# -Range: 0-300
Cu3(PO4)2
Cu3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Cu+2
log_k -12.2247
-delta_H 0 # Not possible to calculate enthalpy of reaction Cu3(PO4)2
# Enthalpy of formation: 0 kcal/mol
Cu3(PO4)2:3H2O
Cu3(PO4)2:3H2O + 2 H+ = 2 HPO4-2 + 3 Cu+2 + 3 H2O
log_k -10.4763
-delta_H 0 # Not possible to calculate enthalpy of reaction Cu3(PO4)2:3H2O
# Enthalpy of formation: 0 kcal/mol
CuCl2
CuCl2 = Cu+2 + 2 Cl-
log_k 3.7308
-delta_H -48.5965 kJ/mol # Calculated enthalpy of reaction CuCl2
# Enthalpy of formation: -219.874 kJ/mol
-analytic -1.7803e+1 -2.4432e-2 1.5729e+3 9.5104e+0 2.6716e+1
# -Range: 0-200
CuCr2O4
CuCr2O4 + 8 H+ = Cu+2 + 2 Cr+3 + 4 H2O
log_k 16.2174
-delta_H -268.768 kJ/mol # Calculated enthalpy of reaction CuCr2O4
# Enthalpy of formation: -307.331 kcal/mol
-analytic -1.8199e+2 -1.0254e-2 2.0123e+4 5.4062e+1 3.4178e+2
# -Range: 0-200
CuF
CuF = Cu+ + F-
log_k 7.08
-delta_H 0 # Not possible to calculate enthalpy of reaction CuF
# Enthalpy of formation: 0 kcal/mol
CuF2
CuF2 = Cu+2 + 2 F-
log_k -0.62
-delta_H 0 # Not possible to calculate enthalpy of reaction CuF2
# Enthalpy of formation: 0 kcal/mol
CuF2:2H2O
CuF2:2H2O = Cu+2 + 2 F- + 2 H2O
log_k -4.55
-delta_H 0 # Not possible to calculate enthalpy of reaction CuF2:2H2O
# Enthalpy of formation: 0 kcal/mol
CuSeO3
CuSeO3 = Cu+2 + SeO3-2
log_k -7.6767
-delta_H 0 # Not possible to calculate enthalpy of reaction CuSeO3
# Enthalpy of formation: 0 kcal/mol
Cuprite
Cu2O + 2 H+ = H2O + 2 Cu+
log_k -1.9031
-delta_H 28.355 kJ/mol # Calculated enthalpy of reaction Cuprite
# Enthalpy of formation: -40.83 kcal/mol
-analytic -8.624e+1 -1.1445e-2 1.7851e+3 3.3041e+1 2.788e+1
# -Range: 0-300
Daphnite-14A
Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
log_k 52.2821
-delta_H -517.561 kJ/mol # Calculated enthalpy of reaction Daphnite-14A
# Enthalpy of formation: -1693.04 kcal/mol
-analytic -1.5261e+2 -6.1392e-2 2.8283e+4 5.1788e+1 4.4137e+2
# -Range: 0-300
Daphnite-7A
Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
log_k 55.6554
-delta_H -532.326 kJ/mol # Calculated enthalpy of reaction Daphnite-7A
# Enthalpy of formation: -1689.51 kcal/mol
-analytic -1.643e+2 -6.316e-2 2.9499e+4 5.6442e+1 4.6035e+2
# -Range: 0-300
Dawsonite
NaAlCO3(OH)2 + 3 H+ = Al+3 + HCO3- + Na+ + 2 H2O
log_k 4.3464
-delta_H -76.3549 kJ/mol # Calculated enthalpy of reaction Dawsonite
# Enthalpy of formation: -1963.96 kJ/mol
-analytic -1.1393e+2 -2.3487e-2 7.1758e+3 4.09e+1 1.2189e+2
# -Range: 0-200
Delafossite
CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O
log_k -6.4172
-delta_H -18.6104 kJ/mol # Calculated enthalpy of reaction Delafossite
# Enthalpy of formation: -126.904 kcal/mol
-analytic -1.5275e+2 -3.5478e-2 5.1404e+3 5.6437e+1 8.0255e+1
# -Range: 0-300
Diaspore
AlHO2 + 3 H+ = Al+3 + 2 H2O
log_k 7.1603
-delta_H -110.42 kJ/mol # Calculated enthalpy of reaction Diaspore
# Enthalpy of formation: -238.924 kcal/mol
-analytic -1.2618e+2 -3.1671e-2 8.8737e+3 4.5669e+1 1.385e+2
# -Range: 0-300
Dicalcium_silicate
Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O
log_k 37.1725
-delta_H -217.642 kJ/mol # Calculated enthalpy of reaction Dicalcium_silicate
# Enthalpy of formation: -2317.9 kJ/mol
-analytic -5.9723e+1 -1.3682e-2 1.5461e+4 2.1547e+1 -3.7732e+5
# -Range: 0-300
Diopside
CaMgSi2O6 + 4 H+ = Ca+2 + Mg+2 + 2 H2O + 2 SiO2
log_k 20.9643
-delta_H -133.775 kJ/mol # Calculated enthalpy of reaction Diopside
# Enthalpy of formation: -765.378 kcal/mol
-analytic 7.124e+1 1.5514e-2 8.1437e+3 -3.0672e+1 -5.688e+5
# -Range: 0-300
Dioptase
CuSiO2(OH)2 + 2 H+ = Cu+2 + SiO2 + 2 H2O
log_k 6.0773
-delta_H -25.2205 kJ/mol # Calculated enthalpy of reaction Dioptase
# Enthalpy of formation: -1358.47 kJ/mol
-analytic 2.3913e+2 6.2669e-2 -5.403e+3 -9.442e+1 -9.1834e+1
# -Range: 0-200
Dolomite
CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
log_k 2.5135
-delta_H -59.9651 kJ/mol # Calculated enthalpy of reaction Dolomite
# Enthalpy of formation: -556.631 kcal/mol
-analytic -3.1782e+2 -9.8179e-2 1.0845e+4 1.2657e+2 1.6932e+2
# -Range: 0-300
Dolomite-dis
CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
log_k 4.0579
-delta_H -72.2117 kJ/mol # Calculated enthalpy of reaction Dolomite-dis
# Enthalpy of formation: -553.704 kcal/mol
-analytic -3.1706e+2 -9.7886e-2 1.1442e+4 1.2604e+2 1.7864e+2
# -Range: 0-300
Dolomite-ord
CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
log_k 2.5135
-delta_H -59.9651 kJ/mol # Calculated enthalpy of reaction Dolomite-ord
# Enthalpy of formation: -556.631 kcal/mol
-analytic -3.1654e+2 -9.7902e-2 1.0805e+4 1.2607e+2 1.687e+2
# -Range: 0-300
Downeyite
SeO2 + H2O = SeO3-2 + 2 H+
log_k -6.7503
-delta_H 1.74473 kJ/mol # Calculated enthalpy of reaction Downeyite
# Enthalpy of formation: -53.8 kcal/mol
-analytic -1.2868e+2 -6.1183e-2 1.5802e+3 5.449e+1 2.4696e+1
# -Range: 0-300
Dy
Dy + 3 H+ + 0.75 O2 = Dy+3 + 1.5 H2O
log_k 180.8306
-delta_H -1116.29 kJ/mol # Calculated enthalpy of reaction Dy
# Enthalpy of formation: 0 kJ/mol
-analytic -6.8317e+1 -2.8321e-2 5.8927e+4 2.4211e+1 9.1953e+2
# -Range: 0-300
Dy(OH)3
Dy(OH)3 + 3 H+ = Dy+3 + 3 H2O
log_k 15.8852
-delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)3
# Enthalpy of formation: 0 kcal/mol
Dy(OH)3(am)
Dy(OH)3 + 3 H+ = Dy+3 + 3 H2O
log_k 17.4852
-delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)3(am)
# Enthalpy of formation: 0 kcal/mol
Dy2(CO3)3
Dy2(CO3)3 + 3 H+ = 2 Dy+3 + 3 HCO3-
log_k -3.0136
-delta_H 0 # Not possible to calculate enthalpy of reaction Dy2(CO3)3
# Enthalpy of formation: 0 kcal/mol
Dy2O3
Dy2O3 + 6 H+ = 2 Dy+3 + 3 H2O
log_k 47
-delta_H 0 # Not possible to calculate enthalpy of reaction Dy2O3
# Enthalpy of formation: 0 kcal/mol
DyF3:.5H2O
DyF3:.5H2O = 0.5 H2O + Dy+3 + 3 F-
log_k -16.5
-delta_H 0 # Not possible to calculate enthalpy of reaction DyF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
DyPO4:10H2O
DyPO4:10H2O + H+ = Dy+3 + HPO4-2 + 10 H2O
log_k -11.9782
-delta_H 0 # Not possible to calculate enthalpy of reaction DyPO4:10H2O
# Enthalpy of formation: 0 kcal/mol
Enstatite
MgSiO3 + 2 H+ = H2O + Mg+2 + SiO2
log_k 11.3269
-delta_H -82.7302 kJ/mol # Calculated enthalpy of reaction Enstatite
# Enthalpy of formation: -369.686 kcal/mol
-analytic -4.9278e+1 -3.2832e-3 9.5205e+3 1.4437e+1 -5.4324e+5
# -Range: 0-300
Epidote
Ca2FeAl2Si3O12OH + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O
log_k 32.9296
-delta_H -386.451 kJ/mol # Calculated enthalpy of reaction Epidote
# Enthalpy of formation: -1543.99 kcal/mol
-analytic -2.6187e+1 -3.6436e-2 1.9351e+4 3.3671e+0 -3.0319e+5
# -Range: 0-300
Epidote-ord
FeCa2Al2(OH)(SiO4)3 + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O
log_k 32.9296
-delta_H -386.351 kJ/mol # Calculated enthalpy of reaction Epidote-ord
# Enthalpy of formation: -1544.02 kcal/mol
-analytic 1.9379e+1 -3.287e-2 1.5692e+4 -1.1901e+1 2.4485e+2
# -Range: 0-300
Epsomite
MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O
log_k -1.9623
-delta_H 0 # Not possible to calculate enthalpy of reaction Epsomite
# Enthalpy of formation: 0 kcal/mol
Er
Er + 3 H+ + 0.75 O2 = Er+3 + 1.5 H2O
log_k 181.7102
-delta_H -1124.66 kJ/mol # Calculated enthalpy of reaction Er
# Enthalpy of formation: 0 kJ/mol
-analytic -1.4459e+2 -3.8221e-2 6.4073e+4 5.1047e+1 -3.1503e+5
# -Range: 0-300
Er(OH)3
Er(OH)3 + 3 H+ = Er+3 + 3 H2O
log_k 14.9852
-delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)3
# Enthalpy of formation: 0 kcal/mol
Er(OH)3(am)
Er(OH)3 + 3 H+ = Er+3 + 3 H2O
log_k 18.9852
-delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)3(am)
# Enthalpy of formation: 0 kcal/mol
Er2(CO3)3
Er2(CO3)3 + 3 H+ = 2 Er+3 + 3 HCO3-
log_k -2.6136
-delta_H 0 # Not possible to calculate enthalpy of reaction Er2(CO3)3
# Enthalpy of formation: 0 kcal/mol
Er2O3
Er2O3 + 6 H+ = 2 Er+3 + 3 H2O
log_k 42.1
-delta_H 0 # Not possible to calculate enthalpy of reaction Er2O3
# Enthalpy of formation: 0 kcal/mol
ErF3:.5H2O
ErF3:.5H2O = 0.5 H2O + Er+3 + 3 F-
log_k -16.3
-delta_H 0 # Not possible to calculate enthalpy of reaction ErF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
ErPO4:10H2O
ErPO4:10H2O + H+ = Er+3 + HPO4-2 + 10 H2O
log_k -11.8782
-delta_H 0 # Not possible to calculate enthalpy of reaction ErPO4:10H2O
# Enthalpy of formation: 0 kcal/mol
Erythrite
Co3(AsO4)2:8H2O + 4 H+ = 2 H2AsO4- + 3 Co+2 + 8 H2O
log_k 6.393
-delta_H 0 # Not possible to calculate enthalpy of reaction Erythrite
# Enthalpy of formation: 0 kcal/mol
Eskolaite
Cr2O3 + 2 H2O + 1.5 O2 = 2 CrO4-2 + 4 H+
log_k -9.1306
-delta_H -32.6877 kJ/mol # Calculated enthalpy of reaction Eskolaite
# Enthalpy of formation: -1139.74 kJ/mol
-analytic -2.0411e+2 -1.2809e-1 2.2197e+3 9.1186e+1 3.4697e+1
# -Range: 0-300
Ettringite
Ca6Al2(SO4)3(OH)12:26H2O + 12 H+ = 2 Al+3 + 3 SO4-2 + 6 Ca+2 + 38 H2O
log_k 62.5362
-delta_H -382.451 kJ/mol # Calculated enthalpy of reaction Ettringite
# Enthalpy of formation: -4193 kcal/mol
-analytic -1.0576e+3 -1.1585e-1 5.958e+4 3.8585e+2 1.0121e+3
# -Range: 0-200
Eu
Eu + 3 H+ + 0.75 O2 = Eu+3 + 1.5 H2O
log_k 165.1443
-delta_H -1025.08 kJ/mol # Calculated enthalpy of reaction Eu
# Enthalpy of formation: 0 kJ/mol
-analytic -6.5749e+1 -2.8921e-2 5.4018e+4 2.3561e+1 8.4292e+2
# -Range: 0-300
Eu(IO3)3:2H2O
Eu(IO3)3:2H2O = Eu+3 + 2 H2O + 3 IO3-
log_k -11.6999
-delta_H 20.8847 kJ/mol # Calculated enthalpy of reaction Eu(IO3)3:2H2O
# Enthalpy of formation: -1861.99 kJ/mol
-analytic -3.4616e+1 -1.9914e-2 -1.1966e+3 1.3276e+1 -2.0308e+1
# -Range: 0-200
Eu(NO3)3:6H2O
Eu(NO3)3:6H2O = Eu+3 + 3 NO3- + 6 H2O
log_k 1.3082
-delta_H 15.2254 kJ/mol # Calculated enthalpy of reaction Eu(NO3)3:6H2O
# Enthalpy of formation: -2956.11 kJ/mol
-analytic -1.3205e+2 -2.0427e-2 3.9623e+3 5.0976e+1 6.7332e+1
# -Range: 0-200
Eu(OH)2.5Cl.5
Eu(OH)2.5Cl.5 + 2.5 H+ = 0.5 Cl- + Eu+3 + 2.5 H2O
log_k 12.5546
-delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2.5Cl.5
# Enthalpy of formation: 0 kcal/mol
Eu(OH)2Cl
Eu(OH)2Cl + 2 H+ = Cl- + Eu+3 + 2 H2O
log_k 8.7974
-delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2Cl
# Enthalpy of formation: 0 kcal/mol
Eu(OH)3
Eu(OH)3 + 3 H+ = Eu+3 + 3 H2O
log_k 15.3482
-delta_H -126.897 kJ/mol # Calculated enthalpy of reaction Eu(OH)3
# Enthalpy of formation: -1336.04 kJ/mol
-analytic -6.3077e+1 -6.1421e-3 8.7323e+3 2.0595e+1 1.4831e+2
# -Range: 0-200
Eu2(CO3)3:3H2O
Eu2(CO3)3:3H2O + 3 H+ = 2 Eu+3 + 3 H2O + 3 HCO3-
log_k -5.8707
-delta_H -137.512 kJ/mol # Calculated enthalpy of reaction Eu2(CO3)3:3H2O
# Enthalpy of formation: -4000.65 kJ/mol
-analytic -1.4134e+2 -4.024e-2 9.5883e+3 4.6591e+1 1.6287e+2
# -Range: 0-200
Eu2(SO4)3:8H2O
Eu2(SO4)3:8H2O = 2 Eu+3 + 3 SO4-2 + 8 H2O
log_k -10.8524
-delta_H -86.59 kJ/mol # Calculated enthalpy of reaction Eu2(SO4)3:8H2O
# Enthalpy of formation: -6139.77 kJ/mol
-analytic -5.6582e+1 -3.8846e-2 3.3821e+3 1.8561e+1 5.7452e+1
# -Range: 0-200
Eu2O3(cubic)
Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O
log_k 51.7818
-delta_H -406.403 kJ/mol # Calculated enthalpy of reaction Eu2O3(cubic)
# Enthalpy of formation: -1661.96 kJ/mol
-analytic -5.3469e+1 -1.2554e-2 2.1925e+4 1.4324e+1 3.7233e+2
# -Range: 0-200
Eu2O3(monoclinic)
Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O
log_k 53.3936
-delta_H -417.481 kJ/mol # Calculated enthalpy of reaction Eu2O3(monoclinic)
# Enthalpy of formation: -1650.88 kJ/mol
-analytic -5.4022e+1 -1.2627e-2 2.2508e+4 1.4416e+1 3.8224e+2
# -Range: 0-200
Eu3O4
Eu3O4 + 8 H+ = Eu+2 + 2 Eu+3 + 4 H2O
log_k 87.0369
-delta_H -611.249 kJ/mol # Calculated enthalpy of reaction Eu3O4
# Enthalpy of formation: -2270.56 kJ/mol
-analytic -1.1829e+2 -2.0354e-2 3.4981e+4 3.8007e+1 5.9407e+2
# -Range: 0-200
EuBr3
EuBr3 = Eu+3 + 3 Br-
log_k 29.8934
-delta_H -217.166 kJ/mol # Calculated enthalpy of reaction EuBr3
# Enthalpy of formation: -752.769 kJ/mol
-analytic 6.0207e+1 -2.5234e-2 6.6823e+3 -1.8276e+1 1.1345e+2
# -Range: 0-200
EuCl2
EuCl2 = Eu+2 + 2 Cl-
log_k 5.923
-delta_H -39.2617 kJ/mol # Calculated enthalpy of reaction EuCl2
# Enthalpy of formation: -822.5 kJ/mol
-analytic -2.5741e+1 -2.4956e-2 1.5713e+3 1.367e+1 2.6691e+1
# -Range: 0-200
EuCl3
EuCl3 = Eu+3 + 3 Cl-
log_k 19.7149
-delta_H -170.861 kJ/mol # Calculated enthalpy of reaction EuCl3
# Enthalpy of formation: -935.803 kJ/mol
-analytic 3.2865e+1 -3.1877e-2 4.9792e+3 -8.2294e+0 8.4542e+1
# -Range: 0-200
EuCl3:6H2O
EuCl3:6H2O = Eu+3 + 3 Cl- + 6 H2O
log_k 4.909
-delta_H -40.0288 kJ/mol # Calculated enthalpy of reaction EuCl3:6H2O
# Enthalpy of formation: -2781.66 kJ/mol
-analytic -1.0987e+2 -2.9851e-2 4.9991e+3 4.3198e+1 8.493e+1
# -Range: 0-200
EuF3:0.5H2O
EuF3:0.5H2O = 0.5 H2O + Eu+3 + 3 F-
log_k -16.4847
-delta_H 0 # Not possible to calculate enthalpy of reaction EuF3:0.5H2O
# Enthalpy of formation: 0 kcal/mol
EuO
EuO + 2 H+ = Eu+2 + H2O
log_k 37.48
-delta_H -221.196 kJ/mol # Calculated enthalpy of reaction EuO
# Enthalpy of formation: -592.245 kJ/mol
-analytic -8.9517e+1 -1.7523e-2 1.4385e+4 3.3933e+1 2.2449e+2
# -Range: 0-300
EuOCl
EuOCl + 2 H+ = Cl- + Eu+3 + H2O
log_k 15.6683
-delta_H -147.173 kJ/mol # Calculated enthalpy of reaction EuOCl
# Enthalpy of formation: -911.17 kJ/mol
-analytic -7.7446e+0 -1.496e-2 6.6242e+3 2.2813e+0 1.1249e+2
# -Range: 0-200
EuOHCO3
EuOHCO3 + 2 H+ = Eu+3 + H2O + HCO3-
log_k 2.5239
-delta_H 0 # Not possible to calculate enthalpy of reaction EuOHCO3
# Enthalpy of formation: 0 kcal/mol
EuPO4:10H2O
EuPO4:10H2O + H+ = Eu+3 + HPO4-2 + 10 H2O
log_k -12.0782
-delta_H 0 # Not possible to calculate enthalpy of reaction EuPO4:10H2O
# Enthalpy of formation: 0 kcal/mol
EuS
EuS + H+ = Eu+2 + HS-
log_k 14.9068
-delta_H -96.4088 kJ/mol # Calculated enthalpy of reaction EuS
# Enthalpy of formation: -447.302 kJ/mol
-analytic -4.1026e+1 -1.5582e-2 5.7842e+3 1.6639e+1 9.8238e+1
# -Range: 0-200
EuSO4
EuSO4 = Eu+2 + SO4-2
log_k -8.8449
-delta_H 33.873 kJ/mol # Calculated enthalpy of reaction EuSO4
# Enthalpy of formation: -1471.08 kJ/mol
-analytic 3.0262e-1 -1.7571e-2 -3.0392e+3 2.5356e+0 -5.161e+1
# -Range: 0-200
Eucryptite
LiAlSiO4 + 4 H+ = Al+3 + Li+ + SiO2 + 2 H2O
log_k 13.6106
-delta_H -141.818 kJ/mol # Calculated enthalpy of reaction Eucryptite
# Enthalpy of formation: -2124.41 kJ/mol
-analytic -2.2213e+0 -8.2498e-3 6.4838e+3 -1.4183e+0 1.0117e+2
# -Range: 0-300
Fayalite
Fe2SiO4 + 4 H+ = SiO2 + 2 Fe+2 + 2 H2O
log_k 19.1113
-delta_H -152.256 kJ/mol # Calculated enthalpy of reaction Fayalite
# Enthalpy of formation: -354.119 kcal/mol
-analytic 1.3853e+1 -3.5501e-3 7.1496e+3 -6.871e+0 -6.331e+4
# -Range: 0-300
Fe
Fe + 2 H+ + 0.5 O2 = Fe+2 + H2O
log_k 59.0325
-delta_H -372.029 kJ/mol # Calculated enthalpy of reaction Fe
# Enthalpy of formation: 0 kcal/mol
-analytic -6.2882e+1 -2.0379e-2 2.069e+4 2.3673e+1 3.2287e+2
# -Range: 0-300
Fe(OH)2
Fe(OH)2 + 2 H+ = Fe+2 + 2 H2O
log_k 13.9045
-delta_H -95.4089 kJ/mol # Calculated enthalpy of reaction Fe(OH)2
# Enthalpy of formation: -568.525 kJ/mol
-analytic -8.6666e+1 -1.844e-2 7.5723e+3 3.2597e+1 1.1818e+2
# -Range: 0-300
Fe(OH)3
Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
log_k 5.6556
-delta_H -84.0824 kJ/mol # Calculated enthalpy of reaction Fe(OH)3
# Enthalpy of formation: -823.013 kJ/mol
-analytic -1.3316e+2 -3.1284e-2 7.9753e+3 4.9052e+1 1.2449e+2
# -Range: 0-300
Fe2(SO4)3
Fe2(SO4)3 = 2 Fe+3 + 3 SO4-2
log_k 3.2058
-delta_H -250.806 kJ/mol # Calculated enthalpy of reaction Fe2(SO4)3
# Enthalpy of formation: -2577.16 kJ/mol
-analytic -5.8649e+2 -2.3718e-1 2.2736e+4 2.3601e+2 3.5495e+2
# -Range: 0-300
FeF2
FeF2 = Fe+2 + 2 F-
log_k -2.3817
-delta_H -51.6924 kJ/mol # Calculated enthalpy of reaction FeF2
# Enthalpy of formation: -711.26 kJ/mol
-analytic -2.5687e+2 -8.4091e-2 8.4262e+3 1.0154e+2 1.3156e+2
# -Range: 0-300
FeF3
FeF3 = Fe+3 + 3 F-
log_k -19.2388
-delta_H -13.8072 kJ/mol # Calculated enthalpy of reaction FeF3
# Enthalpy of formation: -249 kcal/mol
-analytic -1.6215e+1 -3.745e-2 -1.8926e+3 5.8485e+0 -3.2134e+1
# -Range: 0-200
FeO
FeO + 2 H+ = Fe+2 + H2O
log_k 13.5318
-delta_H -106.052 kJ/mol # Calculated enthalpy of reaction FeO
# Enthalpy of formation: -65.02 kcal/mol
-analytic -7.875e+1 -1.8268e-2 7.6852e+3 2.9074e+1 1.1994e+2
# -Range: 0-300
FeSO4
FeSO4 = Fe+2 + SO4-2
log_k 2.6565
-delta_H -73.0878 kJ/mol # Calculated enthalpy of reaction FeSO4
# Enthalpy of formation: -928.771 kJ/mol
-analytic -2.0794e+2 -7.6891e-2 7.8705e+3 8.3685e+1 1.2287e+2
# -Range: 0-300
FeV2O4
FeV2O4 + 8 H+ = Fe+2 + 2 V+3 + 4 H2O
log_k 280.5528
-delta_H -1733.42 kJ/mol # Calculated enthalpy of reaction FeV2O4
# Enthalpy of formation: -5.8 kcal/mol
-analytic -1.6736e+2 -1.9398e-2 9.5736e+4 5.3582e+1 1.6258e+3
# -Range: 0-200
Ferrite-Ca
CaFe2O4 + 8 H+ = Ca+2 + 2 Fe+3 + 4 H2O
log_k 21.5217
-delta_H -264.738 kJ/mol # Calculated enthalpy of reaction Ferrite-Ca
# Enthalpy of formation: -363.494 kcal/mol
-analytic -2.8472e+2 -7.587e-2 2.0688e+4 1.0485e+2 3.2289e+2
# -Range: 0-300
Ferrite-Cu
CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O
log_k 10.316
-delta_H -211.647 kJ/mol # Calculated enthalpy of reaction Ferrite-Cu
# Enthalpy of formation: -965.178 kJ/mol
-analytic -3.1271e+2 -7.9976e-2 1.8818e+4 1.1466e+2 2.9374e+2
# -Range: 0-300
Ferrite-Dicalcium
Ca2Fe2O5 + 10 H+ = 2 Ca+2 + 2 Fe+3 + 5 H2O
log_k 56.8331
-delta_H -475.261 kJ/mol # Calculated enthalpy of reaction Ferrite-Dicalcium
# Enthalpy of formation: -2139.26 kJ/mol
-analytic -3.6277e+2 -9.5015e-2 3.3898e+4 1.3506e+2 5.2906e+2
# -Range: 0-300
Ferrite-Mg
MgFe2O4 + 8 H+ = Mg+2 + 2 Fe+3 + 4 H2O
log_k 21.0551
-delta_H -280.056 kJ/mol # Calculated enthalpy of reaction Ferrite-Mg
# Enthalpy of formation: -1428.42 kJ/mol
-analytic -2.8297e+2 -7.482e-2 2.1333e+4 1.0295e+2 3.3296e+2
# -Range: 0-300
Ferrite-Zn
ZnFe2O4 + 8 H+ = Zn+2 + 2 Fe+3 + 4 H2O
log_k 11.7342
-delta_H -226.609 kJ/mol # Calculated enthalpy of reaction Ferrite-Zn
# Enthalpy of formation: -1169.29 kJ/mol
-analytic -2.9809e+2 -7.7263e-2 1.9067e+4 1.0866e+2 2.9761e+2
# -Range: 0-300
Ferroselite
FeSe2 + 0.5 H2O = 0.25 O2 + Fe+3 + H+ + 2 Se-2
log_k -80.7998
-delta_H 0 # Not possible to calculate enthalpy of reaction Ferroselite
# Enthalpy of formation: -25 kcal/mol
-analytic -7.2971e+1 -2.4992e-2 -1.6246e+4 2.186e+1 -2.5348e+2
# -Range: 0-300
Ferrosilite
FeSiO3 + 2 H+ = Fe+2 + H2O + SiO2
log_k 7.4471
-delta_H -60.6011 kJ/mol # Calculated enthalpy of reaction Ferrosilite
# Enthalpy of formation: -285.658 kcal/mol
-analytic 9.0041e+0 3.7917e-3 5.1625e+3 -6.3009e+0 -3.9565e+5
# -Range: 0-300
Fluorapatite
Ca5(PO4)3F + 3 H+ = F- + 3 HPO4-2 + 5 Ca+2
log_k -24.994
-delta_H -90.8915 kJ/mol # Calculated enthalpy of reaction Fluorapatite
# Enthalpy of formation: -6836.12 kJ/mol
-analytic -9.3648e+2 -3.2688e-1 2.4398e+4 3.7461e+2 3.8098e+2
# -Range: 0-300
Fluorite
CaF2 = Ca+2 + 2 F-
log_k -10.037
-delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction Fluorite
# Enthalpy of formation: -293 kcal/mol
-analytic -2.5036e+2 -8.4183e-2 4.9525e+3 1.0054e+2 7.7353e+1
# -Range: 0-300
Forsterite
Mg2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Mg+2
log_k 27.8626
-delta_H -205.614 kJ/mol # Calculated enthalpy of reaction Forsterite
# Enthalpy of formation: -520 kcal/mol
-analytic -7.6195e+1 -1.4013e-2 1.4763e+4 2.509e+1 -3.0379e+5
# -Range: 0-300
Foshagite
Ca4Si3O9(OH)2:0.5H2O + 8 H+ = 3 SiO2 + 4 Ca+2 + 5.5 H2O
log_k 65.921
-delta_H -359.839 kJ/mol # Calculated enthalpy of reaction Foshagite
# Enthalpy of formation: -1438.27 kcal/mol
-analytic 2.9983e+1 5.5272e-3 2.3427e+4 -1.3879e+1 -8.9461e+5
# -Range: 0-300
Frankdicksonite
BaF2 = Ba+2 + 2 F-
log_k -5.76
-delta_H 0 # Not possible to calculate enthalpy of reaction Frankdicksonite
# Enthalpy of formation: 0 kcal/mol
Freboldite
CoSe = Co+2 + Se-2
log_k -24.3358
-delta_H 0 # Not possible to calculate enthalpy of reaction Freboldite
# Enthalpy of formation: -15.295 kcal/mol
-analytic -1.3763e+1 -1.6924e-3 -3.6938e+3 9.3574e-1 -6.2723e+1
# -Range: 0-200
Ga
Ga + 3 H+ + 0.75 O2 = Ga+3 + 1.5 H2O
log_k 92.3567
-delta_H -631.368 kJ/mol # Calculated enthalpy of reaction Ga
# Enthalpy of formation: 0 kJ/mol
-analytic -1.3027e+2 -3.9539e-2 3.6027e+4 4.628e+1 -8.5461e+4
# -Range: 0-300
Galena
PbS + H+ = HS- + Pb+2
log_k -14.8544
-delta_H 83.1361 kJ/mol # Calculated enthalpy of reaction Galena
# Enthalpy of formation: -23.5 kcal/mol
-analytic -1.2124e+2 -4.3477e-2 -1.6463e+3 5.0454e+1 -2.5654e+1
# -Range: 0-300
Gaylussite
CaNa2(CO3)2:5H2O + 2 H+ = Ca+2 + 2 HCO3- + 2 Na+ + 5 H2O
log_k 11.1641
-delta_H 0 # Not possible to calculate enthalpy of reaction Gaylussite
# Enthalpy of formation: 0 kcal/mol
Gd
Gd + 3 H+ + 0.75 O2 = Gd+3 + 1.5 H2O
log_k 180.7573
-delta_H -1106.67 kJ/mol # Calculated enthalpy of reaction Gd
# Enthalpy of formation: 0 kJ/mol
-analytic -3.3949e+2 -6.5698e-2 7.4278e+4 1.2189e+2 -9.7055e+5
# -Range: 0-300
Gd(OH)3
Gd(OH)3 + 3 H+ = Gd+3 + 3 H2O
log_k 15.5852
-delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)3
# Enthalpy of formation: 0 kcal/mol
Gd(OH)3(am)
Gd(OH)3 + 3 H+ = Gd+3 + 3 H2O
log_k 17.9852
-delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)3(am)
# Enthalpy of formation: 0 kcal/mol
Gd2(CO3)3
Gd2(CO3)3 + 3 H+ = 2 Gd+3 + 3 HCO3-
log_k -3.7136
-delta_H 0 # Not possible to calculate enthalpy of reaction Gd2(CO3)3
# Enthalpy of formation: 0 kcal/mol
Gd2O3
Gd2O3 + 6 H+ = 2 Gd+3 + 3 H2O
log_k 53.8
-delta_H 0 # Not possible to calculate enthalpy of reaction Gd2O3
# Enthalpy of formation: 0 kcal/mol
GdF3:.5H2O
GdF3:.5H2O = 0.5 H2O + Gd+3 + 3 F-
log_k -16.9
-delta_H 0 # Not possible to calculate enthalpy of reaction GdF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
GdPO4:10H2O
GdPO4:10H2O + H+ = Gd+3 + HPO4-2 + 10 H2O
log_k -11.9782
-delta_H 0 # Not possible to calculate enthalpy of reaction GdPO4:10H2O
# Enthalpy of formation: 0 kcal/mol
Gehlenite
Ca2Al2SiO7 + 10 H+ = SiO2 + 2 Al+3 + 2 Ca+2 + 5 H2O
log_k 56.2997
-delta_H -489.934 kJ/mol # Calculated enthalpy of reaction Gehlenite
# Enthalpy of formation: -951.225 kcal/mol
-analytic -2.1784e+2 -6.72e-2 2.9779e+4 7.8488e+1 4.6473e+2
# -Range: 0-300
Gibbsite
Al(OH)3 + 3 H+ = Al+3 + 3 H2O
log_k 7.756
-delta_H -102.788 kJ/mol # Calculated enthalpy of reaction Gibbsite
# Enthalpy of formation: -309.065 kcal/mol
-analytic -1.1403e+2 -3.6453e-2 7.7236e+3 4.3134e+1 1.2055e+2
# -Range: 0-300
Gismondine
Ca2Al4Si4O16:9H2O + 16 H+ = 2 Ca+2 + 4 Al+3 + 4 SiO2 + 17 H2O
log_k 41.717
-delta_H 0 # Not possible to calculate enthalpy of reaction Gismondine
# Enthalpy of formation: 0 kcal/mol
Glauberite
Na2Ca(SO4)2 = Ca+2 + 2 Na+ + 2 SO4-2
log_k -5.469
-delta_H 0 # Not possible to calculate enthalpy of reaction Glauberite
# Enthalpy of formation: 0 kcal/mol
Goethite
FeOOH + 3 H+ = Fe+3 + 2 H2O
log_k 0.5345
-delta_H -61.9291 kJ/mol # Calculated enthalpy of reaction Goethite
# Enthalpy of formation: -559.328 kJ/mol
-analytic -6.0331e+1 -1.0847e-2 4.7759e+3 1.9429e+1 8.1122e+1
# -Range: 0-200
Greenalite
Fe3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Fe+2 + 5 H2O
log_k 22.6701
-delta_H -165.297 kJ/mol # Calculated enthalpy of reaction Greenalite
# Enthalpy of formation: -787.778 kcal/mol
-analytic -1.4187e+1 -3.8377e-3 1.171e+4 1.6442e+0 -4.829e+5
# -Range: 0-300
Grossular
Ca3Al2(SiO4)3 + 12 H+ = 2 Al+3 + 3 Ca+2 + 3 SiO2 + 6 H2O
log_k 51.9228
-delta_H -432.006 kJ/mol # Calculated enthalpy of reaction Grossular
# Enthalpy of formation: -1582.74 kcal/mol
-analytic 2.9389e+1 -2.2478e-2 2.0323e+4 -1.4624e+1 -2.5674e+5
# -Range: 0-300
Gypsum
CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
log_k -4.4823
-delta_H -1.66746 kJ/mol # Calculated enthalpy of reaction Gypsum
# Enthalpy of formation: -2022.69 kJ/mol
-analytic -2.4417e+2 -8.3329e-2 5.5958e+3 9.9301e+1 8.7389e+1
# -Range: 0-300
Gyrolite
Ca2Si3O7(OH)2:1.5H2O + 4 H+ = 2 Ca+2 + 3 SiO2 + 4.5 H2O
log_k 22.9099
-delta_H -82.862 kJ/mol # Calculated enthalpy of reaction Gyrolite
# Enthalpy of formation: -1176.55 kcal/mol
-analytic -2.4416e+1 1.4646e-2 1.6181e+4 2.3723e+0 -1.5369e+6
# -Range: 0-300
HTcO4
HTcO4 = H+ + TcO4-
log_k 5.9566
-delta_H -12.324 kJ/mol # Calculated enthalpy of reaction HTcO4
# Enthalpy of formation: -703.945 kJ/mol
-analytic 3.0005e+1 7.6416e-3 -5.3546e+1 -1.0568e+1 -9.1953e-1
# -Range: 0-200
Haiweeite
Ca(UO2)2(Si2O5)3:5H2O + 6 H+ = Ca+2 + 2 UO2+2 + 6 SiO2 + 8 H2O
log_k -7.0413
-delta_H 0 # Not possible to calculate enthalpy of reaction Haiweeite
# Enthalpy of formation: 0 kcal/mol
Halite
NaCl = Cl- + Na+
log_k 1.5855
-delta_H 3.7405 kJ/mol # Calculated enthalpy of reaction Halite
# Enthalpy of formation: -98.26 kcal/mol
-analytic -1.0163e+2 -3.4761e-2 2.2796e+3 4.2802e+1 3.5602e+1
# -Range: 0-300
Hatrurite
Ca3SiO5 + 6 H+ = SiO2 + 3 Ca+2 + 3 H2O
log_k 73.4056
-delta_H -434.684 kJ/mol # Calculated enthalpy of reaction Hatrurite
# Enthalpy of formation: -700.234 kcal/mol
-analytic -4.5448e+1 -1.9998e-2 2.38e+4 1.8494e+1 -7.3385e+4
# -Range: 0-300
Hausmannite
Mn3O4 + 8 H+ = Mn+2 + 2 Mn+3 + 4 H2O
log_k 10.1598
-delta_H -268.121 kJ/mol # Calculated enthalpy of reaction Hausmannite
# Enthalpy of formation: -1387.83 kJ/mol
-analytic -2.06e+2 -2.2214e-2 2.016e+4 6.27e+1 3.1464e+2
# -Range: 0-300
Heazlewoodite
Ni3S2 + 4 H+ + 0.5 O2 = H2O + 2 HS- + 3 Ni+2
log_k 28.2477
-delta_H -270.897 kJ/mol # Calculated enthalpy of reaction Heazlewoodite
# Enthalpy of formation: -203.012 kJ/mol
-analytic -3.5439e+2 -1.174e-1 2.1811e+4 1.3919e+2 3.4044e+2
# -Range: 0-300
Hedenbergite
CaFe(SiO3)2 + 4 H+ = Ca+2 + Fe+2 + 2 H2O + 2 SiO2
log_k 19.606
-delta_H -124.507 kJ/mol # Calculated enthalpy of reaction Hedenbergite
# Enthalpy of formation: -678.276 kcal/mol
-analytic -1.9473e+1 1.5288e-3 1.291e+4 2.1729e+0 -9.0058e+5
# -Range: 0-300
Hematite
Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
log_k 0.1086
-delta_H -129.415 kJ/mol # Calculated enthalpy of reaction Hematite
# Enthalpy of formation: -197.72 kcal/mol
-analytic -2.2015e+2 -6.029e-2 1.1812e+4 8.0253e+1 1.8438e+2
# -Range: 0-300
Hercynite
FeAl2O4 + 8 H+ = Fe+2 + 2 Al+3 + 4 H2O
log_k 28.8484
-delta_H -345.961 kJ/mol # Calculated enthalpy of reaction Hercynite
# Enthalpy of formation: -1966.45 kJ/mol
-analytic -3.1848e+2 -7.9501e-2 2.5892e+4 1.1483e+2 4.0412e+2
# -Range: 0-300
Herzenbergite
SnS + H+ = HS- + Sn+2
log_k -15.5786
-delta_H 81.6466 kJ/mol # Calculated enthalpy of reaction Herzenbergite
# Enthalpy of formation: -25.464 kcal/mol
-analytic -1.3576e+2 -4.6594e-2 -1.1572e+3 5.574e+1 -1.8018e+1
# -Range: 0-300
Heulandite
# Ba.065Sr.175Ca.585K.132Na.383Al2.165Si6.835O18:6 +8.6600 H+ = + 0.0650 Ba++ + 0.1320 K+ + 0.1750 Sr++ + 0.3830 Na+ + 0.5850 Ca++ + 2.1650 Al+++ + 6.8350 SiO2 + 10.3300 H2O
Ba.065Sr.175Ca.585K.132Na.383Al2.165Si6.835O18:6H2O + 8.66 H+ = 0.065 Ba+2 + 0.132 K+ + 0.175 Sr+2 + 0.383 Na+ + 0.585 Ca+2 + 2.165 Al+3 + 6.835 SiO2 + 10.33 H2O
log_k 3.3506
-delta_H -97.2942 kJ/mol # Calculated enthalpy of reaction Heulandite
# Enthalpy of formation: -10594.5 kJ/mol
-analytic -1.8364e+1 2.7879e-2 2.8426e+4 -1.7427e+1 -3.4723e+6
# -Range: 0-300
Hexahydrite
MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O
log_k -1.7268
-delta_H 0 # Not possible to calculate enthalpy of reaction Hexahydrite
# Enthalpy of formation: 0 kcal/mol
Hf(s)
Hf + 4 H+ + O2 = Hf+4 + 2 H2O
log_k 189.9795
-delta_H 0 # Not possible to calculate enthalpy of reaction Hf
# Enthalpy of formation: -0.003 kJ/mol
HfB2
HfB2 + 2.75 H+ + 2.25 H2O = 0.75 B(OH)3 + Hf+4 + 1.25 BH4-
log_k 55.7691
-delta_H 0 # Not possible to calculate enthalpy of reaction HfB2
# Enthalpy of formation: -78.6 kJ/mol
HfBr2
HfBr2 + 2 H+ + 0.5 O2 = H2O + Hf+4 + 2 Br-
log_k 114.9446
-delta_H 0 # Not possible to calculate enthalpy of reaction HfBr2
# Enthalpy of formation: -98 kJ/mol
HfBr4
HfBr4 = Hf+4 + 4 Br-
log_k 48.2921
-delta_H 0 # Not possible to calculate enthalpy of reaction HfBr4
# Enthalpy of formation: -183.1 kJ/mol
HfC
HfC + 3 H+ + 2 O2 = H2O + HCO3- + Hf+4
log_k 215.0827
-delta_H 0 # Not possible to calculate enthalpy of reaction HfC
# Enthalpy of formation: -54 kJ/mol
HfCl2
HfCl2 + 2 H+ + 0.5 O2 = H2O + Hf+4 + 2 Cl-
log_k 109.1624
-delta_H 0 # Not possible to calculate enthalpy of reaction HfCl2
# Enthalpy of formation: -125 kJ/mol
HfCl4
HfCl4 = Hf+4 + 4 Cl-
log_k 38.0919
-delta_H 0 # Not possible to calculate enthalpy of reaction HfCl4
# Enthalpy of formation: -236.7 kJ/mol
HfF2
HfF2 + 2 H+ + 0.5 O2 = H2O + Hf+4 + 2 F-
log_k 81.7647
-delta_H 0 # Not possible to calculate enthalpy of reaction HfF2
# Enthalpy of formation: -235 kJ/mol
HfF4
HfF4 = Hf+4 + 4 F-
log_k -19.2307
-delta_H 0 # Not possible to calculate enthalpy of reaction HfF4
# Enthalpy of formation: -461.4 kJ/mol
HfI2
HfI2 + 2 H+ + 0.5 O2 = H2O + Hf+4 + 2 I-
log_k 117.4971
-delta_H 0 # Not possible to calculate enthalpy of reaction HfI2
# Enthalpy of formation: -65 kJ/mol
HfI4
HfI4 = Hf+4 + 4 I-
log_k 54.1798
-delta_H 0 # Not possible to calculate enthalpy of reaction HfI4
# Enthalpy of formation: -118 kJ/mol
HfN
HfN + 4 H+ + 0.25 O2 = 0.5 H2O + Hf+4 + NH3
log_k 69.4646
-delta_H 0 # Not possible to calculate enthalpy of reaction HfN
# Enthalpy of formation: -89.3 kJ/mol
HfO2
HfO2 + 4 H+ = Hf+4 + 2 H2O
log_k 1.1829
-delta_H 0 # Not possible to calculate enthalpy of reaction HfO2
# Enthalpy of formation: -267.1 kJ/mol
HfS2
HfS2 + 2 H+ = Hf+4 + 2 HS-
log_k -1.5845
-delta_H 0 # Not possible to calculate enthalpy of reaction HfS2
# Enthalpy of formation: -140 kJ/mol
HfS3
HfS3 + H+ = HS- + Hf+4 + S2-2
log_k -18.9936
-delta_H 0 # Not possible to calculate enthalpy of reaction HfS3
# Enthalpy of formation: -149 kJ/mol
Hg2SO4
Hg2SO4 = Hg2+2 + SO4-2
log_k -6.117
-delta_H 0.30448 kJ/mol # Calculated enthalpy of reaction Hg2SO4
# Enthalpy of formation: -743.09 kJ/mol
-analytic -3.2342e+1 -1.9881e-2 1.6292e+3 1.0781e+1 2.7677e+1
# -Range: 0-200
Hg2SeO3
Hg2SeO3 = Hg2+2 + SeO3-2
log_k -14.2132
-delta_H 0 # Not possible to calculate enthalpy of reaction Hg2SeO3
# Enthalpy of formation: 0 kcal/mol
HgSeO3
HgSeO3 = Hg+2 + SeO3-2
log_k -13.8957
-delta_H 0 # Not possible to calculate enthalpy of reaction HgSeO3
# Enthalpy of formation: 0 kcal/mol
Hillebrandite
Ca2SiO3(OH)2:0.17H2O + 4 H+ = SiO2 + 2 Ca+2 + 3.17 H2O
log_k 36.819
-delta_H -203.074 kJ/mol # Calculated enthalpy of reaction Hillebrandite
# Enthalpy of formation: -637.404 kcal/mol
-analytic -1.936e+1 -7.5176e-3 1.1947e+4 8.0558e+0 -1.4504e+5
# -Range: 0-300
Hinsdalite
Al3PPbSO8(OH)6 + 7 H+ = HPO4-2 + Pb+2 + SO4-2 + 3 Al+3 + 6 H2O
log_k 9.8218
-delta_H 0 # Not possible to calculate enthalpy of reaction Hinsdalite
# Enthalpy of formation: 0 kcal/mol
Ho
Ho + 3 H+ + 0.75 O2 = Ho+3 + 1.5 H2O
log_k 182.8097
-delta_H -1126.75 kJ/mol # Calculated enthalpy of reaction Ho
# Enthalpy of formation: 0 kJ/mol
-analytic -6.5903e+1 -2.819e-2 5.937e+4 2.3421e+1 9.2643e+2
# -Range: 0-300
Ho(OH)3
Ho(OH)3 + 3 H+ = Ho+3 + 3 H2O
log_k 15.3852
-delta_H 0 # Not possible to calculate enthalpy of reaction Ho(OH)3
# Enthalpy of formation: 0 kcal/mol
Ho(OH)3(am)
Ho(OH)3 + 3 H+ = Ho+3 + 3 H2O
log_k 17.7852
-delta_H 0 # Not possible to calculate enthalpy of reaction Ho(OH)3(am)
# Enthalpy of formation: 0 kcal/mol
Ho2(CO3)3
Ho2(CO3)3 + 3 H+ = 2 Ho+3 + 3 HCO3-
log_k -2.8136
-delta_H 0 # Not possible to calculate enthalpy of reaction Ho2(CO3)3
# Enthalpy of formation: 0 kcal/mol
Ho2O3
Ho2O3 + 6 H+ = 2 Ho+3 + 3 H2O
log_k 47.3
-delta_H 0 # Not possible to calculate enthalpy of reaction Ho2O3
# Enthalpy of formation: 0 kcal/mol
HoF3:.5H2O
HoF3:.5H2O = 0.5 H2O + Ho+3 + 3 F-
log_k -16.4
-delta_H 0 # Not possible to calculate enthalpy of reaction HoF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
HoPO4:10H2O
HoPO4:10H2O + H+ = HPO4-2 + Ho+3 + 10 H2O
log_k -11.8782
-delta_H 0 # Not possible to calculate enthalpy of reaction HoPO4:10H2O
# Enthalpy of formation: 0 kcal/mol
Hopeite
Zn3(PO4)2:4H2O + 2 H+ = 2 HPO4-2 + 3 Zn+2 + 4 H2O
log_k -10.6563
-delta_H 0 # Not possible to calculate enthalpy of reaction Hopeite
# Enthalpy of formation: 0 kcal/mol
Huntite
CaMg3(CO3)4 + 4 H+ = Ca+2 + 3 Mg+2 + 4 HCO3-
log_k 10.301
-delta_H -171.096 kJ/mol # Calculated enthalpy of reaction Huntite
# Enthalpy of formation: -1082.6 kcal/mol
-analytic -6.5e+2 -1.9671e-1 2.4815e+4 2.5688e+2 3.874e+2
# -Range: 0-300
Hydroboracite
MgCaB6O11:6H2O + 4 H+ + H2O = Ca+2 + Mg+2 + 6 B(OH)3
log_k 20.3631
-delta_H 0 # Not possible to calculate enthalpy of reaction Hydroboracite
# Enthalpy of formation: 0 kcal/mol
Hydrocerussite
Pb3(CO3)2(OH)2 + 4 H+ = 2 H2O + 2 HCO3- + 3 Pb+2
log_k 1.8477
-delta_H 0 # Not possible to calculate enthalpy of reaction Hydrocerussite
# Enthalpy of formation: 0 kcal/mol
Hydromagnesite
Mg5(CO3)4(OH)2:4H2O + 6 H+ = 4 HCO3- + 5 Mg+2 + 6 H2O
log_k 30.8539
-delta_H -289.696 kJ/mol # Calculated enthalpy of reaction Hydromagnesite
# Enthalpy of formation: -1557.09 kcal/mol
-analytic -7.9288e+2 -2.1448e-1 3.6749e+4 3.0888e+2 5.7367e+2
# -Range: 0-300
Hydrophilite
CaCl2 = Ca+2 + 2 Cl-
log_k 11.7916
-delta_H -81.4545 kJ/mol # Calculated enthalpy of reaction Hydrophilite
# Enthalpy of formation: -795.788 kJ/mol
-analytic -2.2278e+2 -8.1414e-2 9.0298e+3 9.2349e+1 1.4097e+2
# -Range: 0-300
Hydroxylapatite
Ca5(OH)(PO4)3 + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2
log_k -3.0746
-delta_H -191.982 kJ/mol # Calculated enthalpy of reaction Hydroxylapatite
# Enthalpy of formation: -6685.52 kJ/mol
-analytic -8.5221e+2 -2.943e-1 2.8125e+4 3.4044e+2 4.3911e+2
# -Range: 0-300
Hydrozincite
Zn5(OH)6(CO3)2 + 8 H+ = 2 HCO3- + 5 Zn+2 + 6 H2O
log_k 30.3076
-delta_H 0 # Not possible to calculate enthalpy of reaction Hydrozincite
# Enthalpy of formation: 0 kcal/mol
I2
I2 + H2O = 0.5 O2 + 2 H+ + 2 I-
log_k -24.8084
-delta_H 165.967 kJ/mol # Calculated enthalpy of reaction I2
# Enthalpy of formation: 0 kJ/mol
-analytic -1.7135e+2 -6.281e-2 -4.7225e+3 7.3181e+1 -7.364e+1
# -Range: 0-300
Ice
H2O = H2O
log_k 0.1387
-delta_H 6.74879 kJ/mol # Calculated enthalpy of reaction Ice
# Enthalpy of formation: -69.93 kcal/mol
-analytic -2.326e+1 4.7948e-4 7.7351e+2 8.3499e+0 1.3143e+1
# -Range: 0-200
Illite
K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2 + 8 H+ = 0.25 Mg+2 + 0.6 K+ + 2.3 Al+3 + 3.5 SiO2 + 5 H2O
log_k 9.026
-delta_H -171.764 kJ/mol # Calculated enthalpy of reaction Illite
# Enthalpy of formation: -1394.71 kcal/mol
-analytic 2.6069e+1 -1.2553e-3 1.367e+4 -2.0232e+1 -1.1204e+6
# -Range: 0-300
Ilmenite
FeTiO3 + 2 H+ + H2O = Fe+2 + Ti(OH)4
log_k 0.9046
-delta_H 0 # Not possible to calculate enthalpy of reaction Ilmenite
# Enthalpy of formation: -1236.65 kJ/mol
In
In + 3 H+ + 0.75 O2 = In+3 + 1.5 H2O
log_k 81.6548
-delta_H -524.257 kJ/mol # Calculated enthalpy of reaction In
# Enthalpy of formation: 0 kJ/mol
-analytic -1.1773e+2 -3.7657e-2 3.1802e+4 4.2438e+1 -9.6348e+4
# -Range: 0-300
Jadeite
NaAl(SiO3)2 + 4 H+ = Al+3 + Na+ + 2 H2O + 2 SiO2
log_k 8.3888
-delta_H -84.4415 kJ/mol # Calculated enthalpy of reaction Jadeite
# Enthalpy of formation: -722.116 kcal/mol
-analytic 1.5934e+0 5.0757e-3 9.5602e+3 -7.0164e+0 -8.4454e+5
# -Range: 0-300
Jarosite
KFe3(SO4)2(OH)6 + 6 H+ = K+ + 2 SO4-2 + 3 Fe+3 + 6 H2O
log_k -9.3706
-delta_H -191.343 kJ/mol # Calculated enthalpy of reaction Jarosite
# Enthalpy of formation: -894.79 kcal/mol
-analytic -1.0813e+2 -5.0381e-2 9.6893e+3 3.2832e+1 1.6457e+2
# -Range: 0-200
Jarosite-Na
NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 2 SO4-2 + 3 Fe+3 + 6 H2O
log_k -5.4482
-delta_H 0 # Not possible to calculate enthalpy of reaction Jarosite-Na
# Enthalpy of formation: 0 kcal/mol
K
K + H+ + 0.25 O2 = 0.5 H2O + K+
log_k 70.9861
-delta_H -392.055 kJ/mol # Calculated enthalpy of reaction K
# Enthalpy of formation: 0 kJ/mol
-analytic -3.1102e+1 -1.0003e-2 2.1338e+4 1.3534e+1 3.3296e+2
# -Range: 0-300
K-Feldspar
KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
log_k -0.2753
-delta_H -23.9408 kJ/mol # Calculated enthalpy of reaction K-Feldspar
# Enthalpy of formation: -949.188 kcal/mol
-analytic -1.0684e+0 1.3111e-2 1.1671e+4 -9.9129e+0 -1.5855e+6
# -Range: 0-300
K2CO3:1.5H2O
K2CO3:1.5H2O + H+ = HCO3- + 1.5 H2O + 2 K+
log_k 13.3785
-delta_H 0 # Not possible to calculate enthalpy of reaction K2CO3:1.5H2O
# Enthalpy of formation: 0 kcal/mol
K2O
K2O + 2 H+ = H2O + 2 K+
log_k 84.0405
-delta_H -427.006 kJ/mol # Calculated enthalpy of reaction K2O
# Enthalpy of formation: -86.8 kcal/mol
-analytic -1.8283e+1 -5.2255e-3 2.3184e+4 1.0553e+1 3.6177e+2
# -Range: 0-300
K2Se
K2Se = Se-2 + 2 K+
log_k 11.2925
-delta_H 0 # Not possible to calculate enthalpy of reaction K2Se
# Enthalpy of formation: -92 kcal/mol
-analytic 1.8182e+1 7.8828e-3 2.6345e+3 -7.3075e+0 4.4732e+1
# -Range: 0-200
K2UO4
K2UO4 + 4 H+ = UO2+2 + 2 H2O + 2 K+
log_k 33.8714
-delta_H -174.316 kJ/mol # Calculated enthalpy of reaction K2UO4
# Enthalpy of formation: -1920.7 kJ/mol
-analytic -7.0905e+1 -2.568e-3 1.2244e+4 2.6056e+1 2.0794e+2
# -Range: 0-200
K3H(SO4)2
K3H(SO4)2 = H+ + 2 SO4-2 + 3 K+
log_k -3.6233
-delta_H 0 # Not possible to calculate enthalpy of reaction K3H(SO4)2
# Enthalpy of formation: 0 kcal/mol
K8H4(CO3)6:3H2O
K8H4(CO3)6:3H2O + 2 H+ = 3 H2O + 6 HCO3- + 8 K+
log_k 27.7099
-delta_H 0 # Not possible to calculate enthalpy of reaction K8H4(CO3)6:3H2O
# Enthalpy of formation: 0 kcal/mol
KAl(SO4)2
KAl(SO4)2 = Al+3 + K+ + 2 SO4-2
log_k 3.3647
-delta_H -139.485 kJ/mol # Calculated enthalpy of reaction KAl(SO4)2
# Enthalpy of formation: -2470.29 kJ/mol
-analytic -4.2785e+2 -1.6303e-1 1.5311e+4 1.7312e+2 2.3904e+2
# -Range: 0-300
KBr
KBr = Br- + K+
log_k 1.0691
-delta_H 20.125 kJ/mol # Calculated enthalpy of reaction KBr
# Enthalpy of formation: -393.798 kJ/mol
-analytic -7.3164e+1 -3.124e-2 4.814e+2 3.3104e+1 7.5336e+0
# -Range: 0-300
KMgCl3
KMgCl3 = K+ + Mg+2 + 3 Cl-
log_k 21.2618
-delta_H -132.768 kJ/mol # Calculated enthalpy of reaction KMgCl3
# Enthalpy of formation: -1086.6 kJ/mol
-analytic -8.4641e+0 -3.2688e-2 5.1496e+3 8.9652e+0 8.745e+1
# -Range: 0-200
KMgCl3:2H2O
KMgCl3:2H2O = K+ + Mg+2 + 2 H2O + 3 Cl-
log_k 13.9755
-delta_H -76.8449 kJ/mol # Calculated enthalpy of reaction KMgCl3:2H2O
# Enthalpy of formation: -1714.2 kJ/mol
-analytic -5.9982e+1 -3.3015e-2 4.6174e+3 2.7602e+1 7.8431e+1
# -Range: 0-200
KNaCO3:6H2O
KNaCO3:6H2O + H+ = HCO3- + K+ + Na+ + 6 H2O
log_k 10.2593
-delta_H 0 # Not possible to calculate enthalpy of reaction KNaCO3:6H2O
# Enthalpy of formation: 0 kcal/mol
KTcO4
KTcO4 = K+ + TcO4-
log_k -2.2667
-delta_H 53.2363 kJ/mol # Calculated enthalpy of reaction KTcO4
# Enthalpy of formation: -1021.67 kJ/mol
-analytic 1.8058e+1 -8.4795e-4 -2.3985e+3 -4.1788e+0 -1.5029e+5
# -Range: 0-300
KUO2AsO4
KUO2AsO4 + 2 H+ = H2AsO4- + K+ + UO2+2
log_k -4.1741
-delta_H 0 # Not possible to calculate enthalpy of reaction KUO2AsO4
# Enthalpy of formation: 0 kcal/mol
Kainite
KMgClSO4:3H2O = Cl- + K+ + Mg+2 + SO4-2 + 3 H2O
log_k -0.3114
-delta_H 0 # Not possible to calculate enthalpy of reaction Kainite
# Enthalpy of formation: 0 kcal/mol
Kalicinite
KHCO3 = HCO3- + K+
log_k 0.2837
-delta_H 0 # Not possible to calculate enthalpy of reaction Kalicinite
# Enthalpy of formation: 0 kcal/mol
Kalsilite
KAlSiO4 + 4 H+ = Al+3 + K+ + SiO2 + 2 H2O
log_k 10.8987
-delta_H -108.583 kJ/mol # Calculated enthalpy of reaction Kalsilite
# Enthalpy of formation: -509.408 kcal/mol
-analytic -6.7595e+0 -7.4301e-3 6.538e+3 1.8999e-1 -2.288e+5
# -Range: 0-300
Kaolinite
Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 SiO2 + 5 H2O
log_k 6.8101
-delta_H -151.779 kJ/mol # Calculated enthalpy of reaction Kaolinite
# Enthalpy of formation: -982.221 kcal/mol
-analytic 1.6835e+1 -7.8939e-3 7.7636e+3 -1.219e+1 -3.2354e+5
# -Range: 0-300
Karelianite
V2O3 + 6 H+ = 2 V+3 + 3 H2O
log_k 9.9424
-delta_H -160.615 kJ/mol # Calculated enthalpy of reaction Karelianite
# Enthalpy of formation: -1218.98 kJ/mol
-analytic -2.7961e+1 -7.1499e-3 6.7749e+3 5.8146e+0 2.6039e+5
# -Range: 0-300
Kasolite
Pb(UO2)SiO4:H2O + 4 H+ = Pb+2 + SiO2 + UO2+2 + 3 H2O
log_k 7.2524
-delta_H 0 # Not possible to calculate enthalpy of reaction Kasolite
# Enthalpy of formation: 0 kcal/mol
Katoite
Ca3Al2H12O12 + 12 H+ = 2 Al+3 + 3 Ca+2 + 12 H2O
log_k 78.9437
-delta_H 0 # Not possible to calculate enthalpy of reaction Katoite
# Enthalpy of formation: 0 kcal/mol
Kieserite
MgSO4:H2O = H2O + Mg+2 + SO4-2
log_k -0.267
-delta_H 0 # Not possible to calculate enthalpy of reaction Kieserite
# Enthalpy of formation: 0 kcal/mol
Klockmannite
CuSe = Cu+2 + Se-2
log_k -41.6172
-delta_H 0 # Not possible to calculate enthalpy of reaction Klockmannite
# Enthalpy of formation: -10 kcal/mol
-analytic -2.3021e+1 -2.1458e-3 -8.5938e+3 4.39e+0 -1.4593e+2
# -Range: 0-200
Krutaite
CuSe2 + H2O = 0.5 O2 + Cu+2 + 2 H+ + 2 Se-2
log_k -107.6901
-delta_H 0 # Not possible to calculate enthalpy of reaction Krutaite
# Enthalpy of formation: -11.5 kcal/mol
-analytic -3.7735e+1 -8.7548e-4 -2.6352e+4 7.5528e+0 -4.4749e+2
# -Range: 0-200
Kyanite
Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
log_k 15.674
-delta_H -230.919 kJ/mol # Calculated enthalpy of reaction Kyanite
# Enthalpy of formation: -616.897 kcal/mol
-analytic -7.3335e+1 -3.2853e-2 1.2166e+4 2.3412e+1 1.8986e+2
# -Range: 0-300
La
La + 3 H+ + 0.75 O2 = La+3 + 1.5 H2O
log_k 184.7155
-delta_H -1129.26 kJ/mol # Calculated enthalpy of reaction La
# Enthalpy of formation: 0 kJ/mol
-analytic -5.9508e+1 -2.7578e-2 5.9327e+4 2.1589e+1 9.2577e+2
# -Range: 0-300
La(OH)3
La(OH)3 + 3 H+ = La+3 + 3 H2O
log_k 20.2852
-delta_H 0 # Not possible to calculate enthalpy of reaction La(OH)3
# Enthalpy of formation: 0 kcal/mol
La(OH)3(am)
La(OH)3 + 3 H+ = La+3 + 3 H2O
log_k 23.4852
-delta_H 0 # Not possible to calculate enthalpy of reaction La(OH)3(am)
# Enthalpy of formation: 0 kcal/mol
La2(CO3)3:8H2O
La2(CO3)3:8H2O + 3 H+ = 2 La+3 + 3 HCO3- + 8 H2O
log_k -4.3136
-delta_H 0 # Not possible to calculate enthalpy of reaction La2(CO3)3:8H2O
# Enthalpy of formation: 0 kcal/mol
La2O3
La2O3 + 6 H+ = 2 La+3 + 3 H2O
log_k 66.2
-delta_H 0 # Not possible to calculate enthalpy of reaction La2O3
# Enthalpy of formation: 0 kcal/mol
LaCl3
LaCl3 = La+3 + 3 Cl-
log_k 14.4
-delta_H 0 # Not possible to calculate enthalpy of reaction LaCl3
# Enthalpy of formation: 0 kcal/mol
LaCl3:7H2O
LaCl3:7H2O = La+3 + 3 Cl- + 7 H2O
log_k 4.7
-delta_H 0 # Not possible to calculate enthalpy of reaction LaCl3:7H2O
# Enthalpy of formation: 0 kcal/mol
LaF3:.5H2O
LaF3:.5H2O = 0.5 H2O + La+3 + 3 F-
log_k -18.7
-delta_H 0 # Not possible to calculate enthalpy of reaction LaF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
LaPO4:10H2O
LaPO4:10H2O + H+ = HPO4-2 + La+3 + 10 H2O
log_k -12.3782
-delta_H 0 # Not possible to calculate enthalpy of reaction LaPO4:10H2O
# Enthalpy of formation: 0 kcal/mol
Lammerite
Cu3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Cu+2
log_k 1.5542
-delta_H 0 # Not possible to calculate enthalpy of reaction Lammerite
# Enthalpy of formation: 0 kcal/mol
Lanarkite
Pb2(SO4)O + 2 H+ = H2O + SO4-2 + 2 Pb+2
log_k -0.4692
-delta_H -22.014 kJ/mol # Calculated enthalpy of reaction Lanarkite
# Enthalpy of formation: -1171.59 kJ/mol
-analytic 5.1071e+0 -1.6655e-2 0e+0 0e+0 -5.566e+4
# -Range: 0-200
Lansfordite
MgCO3:5H2O + H+ = HCO3- + Mg+2 + 5 H2O
log_k 4.8409
-delta_H 0 # Not possible to calculate enthalpy of reaction Lansfordite
# Enthalpy of formation: 0 kcal/mol
Larnite
Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O
log_k 38.4665
-delta_H -227.061 kJ/mol # Calculated enthalpy of reaction Larnite
# Enthalpy of formation: -551.74 kcal/mol
-analytic 2.69e+1 -2.1833e-3 1.09e+4 -9.5257e+0 -7.2537e+4
# -Range: 0-300
Laumontite
CaAl2Si4O12:4H2O + 8 H+ = Ca+2 + 2 Al+3 + 4 SiO2 + 8 H2O
log_k 13.6667
-delta_H -184.657 kJ/mol # Calculated enthalpy of reaction Laumontite
# Enthalpy of formation: -1728.66 kcal/mol
-analytic 1.1904e+0 8.1763e-3 1.9005e+4 -1.4561e+1 -1.5851e+6
# -Range: 0-300
Laurite
RuS2 = Ru+2 + S2-2
log_k -73.2649
-delta_H 0 # Not possible to calculate enthalpy of reaction Laurite
# Enthalpy of formation: -199.586 kJ/mol
Lawrencite
FeCl2 = Fe+2 + 2 Cl-
log_k 9.0945
-delta_H -84.7665 kJ/mol # Calculated enthalpy of reaction Lawrencite
# Enthalpy of formation: -341.65 kJ/mol
-analytic -2.2798e+2 -8.1819e-2 9.262e+3 9.3097e+1 1.4459e+2
# -Range: 0-300
Lawsonite
CaAl2Si2O7(OH)2:H2O + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 6 H2O
log_k 22.2132
-delta_H -244.806 kJ/mol # Calculated enthalpy of reaction Lawsonite
# Enthalpy of formation: -1158.1 kcal/mol
-analytic 1.3995e+1 -1.7668e-2 1.0119e+4 -8.31e+0 1.5789e+2
# -Range: 0-300
Leonite
K2Mg(SO4)2:4H2O = Mg+2 + 2 K+ + 2 SO4-2 + 4 H2O
log_k -4.1123
-delta_H 0 # Not possible to calculate enthalpy of reaction Leonite
# Enthalpy of formation: 0 kcal/mol
Li
Li + H+ + 0.25 O2 = 0.5 H2O + Li+
log_k 72.7622
-delta_H -418.339 kJ/mol # Calculated enthalpy of reaction Li
# Enthalpy of formation: 0 kJ/mol
-analytic -1.0227e+2 -1.8118e-2 2.6262e+4 3.8056e+1 -1.6166e+5
# -Range: 0-300
Li2Se
Li2Se + 1.5 O2 = SeO3-2 + 2 Li+
log_k 102.8341
-delta_H -646.236 kJ/mol # Calculated enthalpy of reaction Li2Se
# Enthalpy of formation: -96 kcal/mol
-analytic 1.1933e+2 -6.9663e-3 2.7509e+4 -4.3124e+1 4.671e+2
# -Range: 0-200
Li2UO4
Li2UO4 + 4 H+ = UO2+2 + 2 H2O + 2 Li+
log_k 27.8421
-delta_H -179.384 kJ/mol # Calculated enthalpy of reaction Li2UO4
# Enthalpy of formation: -1968.2 kJ/mol
-analytic -1.447e+2 -1.2024e-2 1.4899e+4 5.0984e+1 2.5306e+2
# -Range: 0-200
LiUO2AsO4
LiUO2AsO4 + 2 H+ = H2AsO4- + Li+ + UO2+2
log_k -0.7862
-delta_H 0 # Not possible to calculate enthalpy of reaction LiUO2AsO4
# Enthalpy of formation: 0 kcal/mol
Lime
CaO + 2 H+ = Ca+2 + H2O
log_k 32.5761
-delta_H -193.832 kJ/mol # Calculated enthalpy of reaction Lime
# Enthalpy of formation: -151.79 kcal/mol
-analytic -7.2686e+1 -1.7654e-2 1.2199e+4 2.8128e+1 1.9037e+2
# -Range: 0-300
Linnaeite
Co3S4 + 4 H+ = Co+2 + 2 Co+3 + 4 HS-
log_k -106.9017
-delta_H 420.534 kJ/mol # Calculated enthalpy of reaction Linnaeite
# Enthalpy of formation: -85.81 kcal/mol
-analytic -6.0034e+2 -2.0179e-1 -9.2145e+3 2.3618e+2 -1.4361e+2
# -Range: 0-300
Litharge
PbO + 2 H+ = H2O + Pb+2
log_k 12.6388
-delta_H -65.9118 kJ/mol # Calculated enthalpy of reaction Litharge
# Enthalpy of formation: -219.006 kJ/mol
-analytic -1.8683e+1 -2.0211e-3 4.1876e+3 7.2239e+0 7.1118e+1
# -Range: 0-200
Lopezite
K2Cr2O7 + H2O = 2 CrO4-2 + 2 H+ + 2 K+
log_k -17.4366
-delta_H 81.9227 kJ/mol # Calculated enthalpy of reaction Lopezite
# Enthalpy of formation: -493.003 kcal/mol
-analytic 7.8359e+1 -2.2908e-2 -9.3812e+3 -2.3245e+1 -1.5933e+2
# -Range: 0-200
Lu
Lu + 3 H+ + 0.75 O2 = Lu+3 + 1.5 H2O
log_k 181.3437
-delta_H -1122.15 kJ/mol # Calculated enthalpy of reaction Lu
# Enthalpy of formation: 0 kJ/mol
-analytic -6.895e+1 -2.8643e-2 5.9209e+4 2.4332e+1 9.2392e+2
# -Range: 0-300
Lu(OH)3
Lu(OH)3 + 3 H+ = Lu+3 + 3 H2O
log_k 14.4852
-delta_H 0 # Not possible to calculate enthalpy of reaction Lu(OH)3
# Enthalpy of formation: 0 kcal/mol
Lu(OH)3(am)
Lu(OH)3 + 3 H+ = Lu+3 + 3 H2O
log_k 18.9852
-delta_H 0 # Not possible to calculate enthalpy of reaction Lu(OH)3(am)
# Enthalpy of formation: 0 kcal/mol
Lu2(CO3)3
Lu2(CO3)3 + 3 H+ = 2 Lu+3 + 3 HCO3-
log_k -2.0136
-delta_H 0 # Not possible to calculate enthalpy of reaction Lu2(CO3)3
# Enthalpy of formation: 0 kcal/mol
Lu2O3
Lu2O3 + 6 H+ = 2 Lu+3 + 3 H2O
log_k 45
-delta_H 0 # Not possible to calculate enthalpy of reaction Lu2O3
# Enthalpy of formation: 0 kcal/mol
LuF3:.5H2O
LuF3:.5H2O = 0.5 H2O + Lu+3 + 3 F-
log_k -15.9
-delta_H 0 # Not possible to calculate enthalpy of reaction LuF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
LuPO4:10H2O
LuPO4:10H2O + H+ = HPO4-2 + Lu+3 + 10 H2O
log_k -11.6782
-delta_H 0 # Not possible to calculate enthalpy of reaction LuPO4:10H2O
# Enthalpy of formation: 0 kcal/mol
Magnesiochromite
MgCr2O4 + 8 H+ = Mg+2 + 2 Cr+3 + 4 H2O
log_k 21.6927
-delta_H -302.689 kJ/mol # Calculated enthalpy of reaction Magnesiochromite
# Enthalpy of formation: -1783.6 kJ/mol
-analytic -1.7376e+2 -8.7429e-3 2.16e+4 5.0762e+1 3.6685e+2
# -Range: 0-200
Magnesite
MgCO3 + H+ = HCO3- + Mg+2
log_k 2.2936
-delta_H -44.4968 kJ/mol # Calculated enthalpy of reaction Magnesite
# Enthalpy of formation: -265.63 kcal/mol
-analytic -1.6665e+2 -4.9469e-2 6.4344e+3 6.5506e+1 1.0045e+2
# -Range: 0-300
Magnetite
Fe3O4 + 8 H+ = Fe+2 + 2 Fe+3 + 4 H2O
log_k 10.4724
-delta_H -216.597 kJ/mol # Calculated enthalpy of reaction Magnetite
# Enthalpy of formation: -267.25 kcal/mol
-analytic -3.051e+2 -7.9919e-2 1.8709e+4 1.1178e+2 2.9203e+2
# -Range: 0-300
Malachite
Cu2CO3(OH)2 + 3 H+ = HCO3- + 2 Cu+2 + 2 H2O
log_k 5.9399
-delta_H -76.2827 kJ/mol # Calculated enthalpy of reaction Malachite
# Enthalpy of formation: -251.9 kcal/mol
-analytic -2.7189e+2 -6.9454e-2 1.1451e+4 1.0511e+2 1.7877e+2
# -Range: 0-300
Manganite
MnO(OH) + 3 H+ = Mn+3 + 2 H2O
log_k -0.1646
-delta_H 0 # Not possible to calculate enthalpy of reaction Manganite
# Enthalpy of formation: 0 kcal/mol
Manganosite
MnO + 2 H+ = H2O + Mn+2
log_k 17.924
-delta_H -121.215 kJ/mol # Calculated enthalpy of reaction Manganosite
# Enthalpy of formation: -92.07 kcal/mol
-analytic -8.4114e+1 -1.849e-2 8.7792e+3 3.1561e+1 1.3702e+2
# -Range: 0-300
Margarite
CaAl4Si2O10(OH)2 + 14 H+ = Ca+2 + 2 SiO2 + 4 Al+3 + 8 H2O
log_k 41.0658
-delta_H -522.192 kJ/mol # Calculated enthalpy of reaction Margarite
# Enthalpy of formation: -1485.8 kcal/mol
-analytic -2.3138e+2 -8.2788e-2 3.0154e+4 7.9148e+1 4.706e+2
# -Range: 0-300
Massicot
PbO + 2 H+ = H2O + Pb+2
log_k 12.821
-delta_H -67.6078 kJ/mol # Calculated enthalpy of reaction Massicot
# Enthalpy of formation: -217.31 kJ/mol
-analytic -1.8738e+1 -2.0125e-3 4.2739e+3 7.2018e+0 7.2584e+1
# -Range: 0-200
Matlockite
PbFCl = Cl- + F- + Pb+2
log_k -9.43
-delta_H 0 # Not possible to calculate enthalpy of reaction Matlockite
# Enthalpy of formation: 0 kcal/mol
Maximum_Microcline
KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
log_k -0.2753
-delta_H -23.9408 kJ/mol # Calculated enthalpy of reaction Maximum_Microcline
# Enthalpy of formation: -949.188 kcal/mol
-analytic -9.4387e+0 1.3561e-2 1.2656e+4 -7.4925e+0 -1.6795e+6
# -Range: 0-300
Mayenite
Ca12Al14O33 + 66 H+ = 12 Ca+2 + 14 Al+3 + 33 H2O
log_k 494.2199
-delta_H -4056.77 kJ/mol # Calculated enthalpy of reaction Mayenite
# Enthalpy of formation: -4644 kcal/mol
-analytic -1.4778e+3 -2.9898e-1 2.4918e+5 4.9518e+2 4.2319e+3
# -Range: 0-200
Melanterite
FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O
log_k -2.349
-delta_H 11.7509 kJ/mol # Calculated enthalpy of reaction Melanterite
# Enthalpy of formation: -3014.48 kJ/mol
-analytic -2.623e+2 -7.2469e-2 6.5854e+3 1.0484e+2 1.0284e+2
# -Range: 0-300
Mercallite
KHSO4 = H+ + K+ + SO4-2
log_k -1.4389
-delta_H 0 # Not possible to calculate enthalpy of reaction Mercallite
# Enthalpy of formation: 0 kcal/mol
Merwinite
MgCa3(SiO4)2 + 8 H+ = Mg+2 + 2 SiO2 + 3 Ca+2 + 4 H2O
log_k 68.514
-delta_H -430.069 kJ/mol # Calculated enthalpy of reaction Merwinite
# Enthalpy of formation: -1090.8 kcal/mol
-analytic -2.2524e+2 -4.2525e-2 3.5619e+4 7.9984e+1 -9.8259e+5
# -Range: 0-300
Mesolite
Na.676Ca.657Al1.99Si3.01O10:2.647H2O + 7.96 H+ = 0.657 Ca+2 + 0.676 Na+ + 1.99 Al+3 + 3.01 SiO2 + 6.627 H2O
log_k 13.6191
-delta_H -179.744 kJ/mol # Calculated enthalpy of reaction Mesolite
# Enthalpy of formation: -5947.05 kJ/mol
-analytic 7.1993e+0 5.9356e-3 1.4717e+4 -1.3627e+1 -9.8863e+5
# -Range: 0-300
Metacinnabar
HgS + H+ = HS- + Hg+2
log_k -38.5979
-delta_H 203.426 kJ/mol # Calculated enthalpy of reaction Metacinnabar
# Enthalpy of formation: -11.8 kcal/mol
-analytic -1.5399e+2 -4.674e-2 -6.7875e+3 6.1456e+1 -1.0587e+2
# -Range: 0-300
Mg
Mg + 2 H+ + 0.5 O2 = H2O + Mg+2
log_k 122.5365
-delta_H -745.731 kJ/mol # Calculated enthalpy of reaction Mg
# Enthalpy of formation: 0 kJ/mol
-analytic -6.5988e+1 -1.9356e-2 4.0318e+4 2.3862e+1 6.2914e+2
# -Range: 0-300
Mg1.25SO4(OH)0.5:0.5H2O
Mg1.25SO4(OH)0.5:0.5H2O + 0.5 H+ = H2O + SO4-2 + 1.25 Mg+2
log_k 5.26
-delta_H -97.1054 kJ/mol # Calculated enthalpy of reaction Mg1.25SO4(OH)0.5:0.5H2O
# Enthalpy of formation: -401.717 kcal/mol
-analytic -2.6791e+2 -8.7078e-2 1.109e+4 1.0583e+2 1.7312e+2
# -Range: 0-300
Mg1.5SO4(OH)
Mg1.5SO4(OH) + H+ = H2O + SO4-2 + 1.5 Mg+2
log_k 9.2551
-delta_H -125.832 kJ/mol # Calculated enthalpy of reaction Mg1.5SO4(OH)
# Enthalpy of formation: -422.693 kcal/mol
-analytic -2.8698e+2 -9.197e-2 1.3088e+4 1.1304e+2 2.0432e+2
# -Range: 0-300
Mg2V2O7
Mg2V2O7 + H2O = 2 H+ + 2 Mg+2 + 2 VO4-3
log_k -30.9025
-delta_H 0 # Not possible to calculate enthalpy of reaction Mg2V2O7
# Enthalpy of formation: -2836.23 kJ/mol
MgBr2
MgBr2 = Mg+2 + 2 Br-
log_k 28.5302
-delta_H -190.15 kJ/mol # Calculated enthalpy of reaction MgBr2
# Enthalpy of formation: -124 kcal/mol
-analytic -2.1245e+2 -7.6168e-2 1.4466e+4 8.694e+1 2.2579e+2
# -Range: 0-300
MgBr2:6H2O
MgBr2:6H2O = Mg+2 + 2 Br- + 6 H2O
log_k 5.1656
-delta_H -14.2682 kJ/mol # Calculated enthalpy of reaction MgBr2:6H2O
# Enthalpy of formation: -2409.73 kJ/mol
-analytic -1.3559e+2 -1.6479e-2 5.8571e+3 5.0924e+1 9.9508e+1
# -Range: 0-200
MgCl2:2H2O
MgCl2:2H2O = Mg+2 + 2 Cl- + 2 H2O
log_k 12.7763
-delta_H -92.0895 kJ/mol # Calculated enthalpy of reaction MgCl2:2H2O
# Enthalpy of formation: -1279.71 kJ/mol
-analytic -2.5409e+2 -8.1413e-2 1.0941e+4 1.0281e+2 1.708e+2
# -Range: 0-300
MgCl2:4H2O
MgCl2:4H2O = Mg+2 + 2 Cl- + 4 H2O
log_k 7.3581
-delta_H -44.4602 kJ/mol # Calculated enthalpy of reaction MgCl2:4H2O
# Enthalpy of formation: -1899.01 kJ/mol
-analytic -2.7604e+2 -8.1648e-2 9.5501e+3 1.114e+2 1.491e+2
# -Range: 0-300
MgCl2:H2O
MgCl2:H2O = H2O + Mg+2 + 2 Cl-
log_k 16.1187
-delta_H -119.326 kJ/mol # Calculated enthalpy of reaction MgCl2:H2O
# Enthalpy of formation: -966.631 kJ/mol
-analytic -2.4414e+2 -8.131e-2 1.1862e+4 9.8878e+1 1.8516e+2
# -Range: 0-300
MgOHCl
MgOHCl + H+ = Cl- + H2O + Mg+2
log_k 15.9138
-delta_H -118.897 kJ/mol # Calculated enthalpy of reaction MgOHCl
# Enthalpy of formation: -191.2 kcal/mol
-analytic -1.6614e+2 -4.9715e-2 1.0311e+4 6.5578e+1 1.6093e+2
# -Range: 0-300
MgSO4
MgSO4 = Mg+2 + SO4-2
log_k 4.8781
-delta_H -90.6421 kJ/mol # Calculated enthalpy of reaction MgSO4
# Enthalpy of formation: -1284.92 kJ/mol
-analytic -2.2439e+2 -7.9688e-2 9.3058e+3 8.9622e+1 1.4527e+2
# -Range: 0-300
MgSeO3
MgSeO3 = Mg+2 + SeO3-2
log_k 1.7191
-delta_H -74.9647 kJ/mol # Calculated enthalpy of reaction MgSeO3
# Enthalpy of formation: -215.15 kcal/mol
-analytic -2.2593e+2 -8.1045e-2 8.4609e+3 9.0278e+1 1.3209e+2
# -Range: 0-300
MgSeO3:6H2O
MgSeO3:6H2O = Mg+2 + SeO3-2 + 6 H2O
log_k -3.4222
-delta_H 11.7236 kJ/mol # Calculated enthalpy of reaction MgSeO3:6H2O
# Enthalpy of formation: -645.771 kcal/mol
-analytic -1.2807e+2 -1.5418e-2 4.0565e+3 4.6728e+1 6.8929e+1
# -Range: 0-200
MgUO4
MgUO4 + 4 H+ = Mg+2 + UO2+2 + 2 H2O
log_k 23.0023
-delta_H -199.336 kJ/mol # Calculated enthalpy of reaction MgUO4
# Enthalpy of formation: -1857.3 kJ/mol
-analytic -9.9954e+1 -2.0142e-2 1.3078e+4 3.4386e+1 2.041e+2
# -Range: 0-300
MgV2O6
MgV2O6 + 2 H2O = Mg+2 + 2 VO4-3 + 4 H+
log_k -45.8458
-delta_H 0 # Not possible to calculate enthalpy of reaction MgV2O6
# Enthalpy of formation: -2201.88 kJ/mol
Millerite
NiS + H+ = HS- + Ni+2
log_k -8.0345
-delta_H 12.089 kJ/mol # Calculated enthalpy of reaction Millerite
# Enthalpy of formation: -82.171 kJ/mol
-analytic -1.4848e+2 -4.8834e-2 2.6981e+3 5.8976e+1 4.2145e+1
# -Range: 0-300
Minium
Pb3O4 + 8 H+ = Pb+4 + 2 Pb+2 + 4 H2O
log_k 16.2585
-delta_H 0 # Not possible to calculate enthalpy of reaction Minium
# Enthalpy of formation: -718.493 kJ/mol
Minnesotaite
Fe3Si4O10(OH)2 + 6 H+ = 3 Fe+2 + 4 H2O + 4 SiO2
log_k 13.9805
-delta_H -105.211 kJ/mol # Calculated enthalpy of reaction Minnesotaite
# Enthalpy of formation: -1153.37 kcal/mol
-analytic -1.8812e+1 1.7261e-2 1.9804e+4 -6.441e+0 -2.0433e+6
# -Range: 0-300
Mirabilite
Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O
log_k -1.1398
-delta_H 79.4128 kJ/mol # Calculated enthalpy of reaction Mirabilite
# Enthalpy of formation: -4328 kJ/mol
-analytic -2.1877e+2 -3.6692e-3 5.9214e+3 8.0361e+1 1.0063e+2
# -Range: 0-200
Misenite
K8H6(SO4)7 = 6 H+ + 7 SO4-2 + 8 K+
log_k -11.0757
-delta_H 0 # Not possible to calculate enthalpy of reaction Misenite
# Enthalpy of formation: 0 kcal/mol
Mn
Mn + 2 H+ + 0.5 O2 = H2O + Mn+2
log_k 82.9505
-delta_H -500.369 kJ/mol # Calculated enthalpy of reaction Mn
# Enthalpy of formation: 0 kJ/mol
-analytic -6.5558e+1 -2.0429e-2 2.7571e+4 2.5098e+1 4.3024e+2
# -Range: 0-300
Mn(OH)2(am)
Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
log_k 15.3102
-delta_H -97.1779 kJ/mol # Calculated enthalpy of reaction Mn(OH)2(am)
# Enthalpy of formation: -695.096 kJ/mol
-analytic -7.8518e+1 -7.5357e-3 8.0198e+3 2.7955e+1 1.3621e+2
# -Range: 0-200
Mn(OH)3
Mn(OH)3 + 3 H+ = Mn+3 + 3 H2O
log_k 6.3412
-delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)3
# Enthalpy of formation: 0 kcal/mol
Mn3(PO4)2
Mn3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Mn+2
log_k 0.8167
-delta_H 0 # Not possible to calculate enthalpy of reaction Mn3(PO4)2
# Enthalpy of formation: 0 kcal/mol
MnCl2:2H2O
MnCl2:2H2O = Mn+2 + 2 Cl- + 2 H2O
log_k 4.0067
-delta_H -34.4222 kJ/mol # Calculated enthalpy of reaction MnCl2:2H2O
# Enthalpy of formation: -1092.01 kJ/mol
-analytic -6.2823e+1 -2.3959e-2 2.9931e+3 2.5834e+1 5.085e+1
# -Range: 0-200
MnCl2:4H2O
MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O
log_k 2.7563
-delta_H -10.7019 kJ/mol # Calculated enthalpy of reaction MnCl2:4H2O
# Enthalpy of formation: -1687.41 kJ/mol
-analytic -1.1049e+2 -2.3376e-2 4.0458e+3 4.3097e+1 6.8742e+1
# -Range: 0-200
MnCl2:H2O
MnCl2:H2O = H2O + Mn+2 + 2 Cl-
log_k 5.5517
-delta_H -50.8019 kJ/mol # Calculated enthalpy of reaction MnCl2:H2O
# Enthalpy of formation: -789.793 kJ/mol
-analytic -4.5051e+1 -2.5923e-2 2.8739e+3 1.9674e+1 4.8818e+1
# -Range: 0-200
MnHPO4
MnHPO4 = HPO4-2 + Mn+2
log_k -12.947
-delta_H 0 # Not possible to calculate enthalpy of reaction MnHPO4
# Enthalpy of formation: 0 kcal/mol
MnO2(gamma)
MnO2 = 0.5 Mn+2 + 0.5 MnO4-2
log_k -16.1261
-delta_H 0 # Not possible to calculate enthalpy of reaction MnO2(gamma)
# Enthalpy of formation: 0 kcal/mol
MnSO4
MnSO4 = Mn+2 + SO4-2
log_k 2.6561
-delta_H -64.8718 kJ/mol # Calculated enthalpy of reaction MnSO4
# Enthalpy of formation: -1065.33 kJ/mol
-analytic -2.3088e+2 -8.2694e-2 8.1653e+3 9.3256e+1 1.2748e+2
# -Range: 0-300
MnSe
MnSe = Mn+2 + Se-2
log_k -10.6848
-delta_H 0 # Not possible to calculate enthalpy of reaction MnSe
# Enthalpy of formation: -37 kcal/mol
-analytic -5.996e+1 -1.5963e-2 1.2813e+3 2.0095e+1 2.001e+1
# -Range: 0-300
MnSeO3
MnSeO3 = Mn+2 + SeO3-2
log_k -7.27
-delta_H 0 # Not possible to calculate enthalpy of reaction MnSeO3
# Enthalpy of formation: 0 kcal/mol
MnSeO3:2H2O
MnSeO3:2H2O = Mn+2 + SeO3-2 + 2 H2O
log_k -6.3219
-delta_H 14.0792 kJ/mol # Calculated enthalpy of reaction MnSeO3:2H2O
# Enthalpy of formation: -314.423 kcal/mol
-analytic -4.3625e+1 -2.0426e-2 -2.5368e+2 1.7876e+1 -4.2927e+0
# -Range: 0-200
MnV2O6
MnV2O6 + 2 H2O = Mn+2 + 2 VO4-3 + 4 H+
log_k -52.0751
-delta_H 0 # Not possible to calculate enthalpy of reaction MnV2O6
# Enthalpy of formation: -447.9 kcal/mol
Mo
Mo + 1.5 O2 + H2O = MoO4-2 + 2 H+
log_k 109.323
-delta_H -693.845 kJ/mol # Calculated enthalpy of reaction Mo
# Enthalpy of formation: 0 kJ/mol
-analytic -2.0021e+2 -8.3006e-2 4.1629e+4 8.0219e+1 -3.457e+5
# -Range: 0-300
MoSe2
MoSe2 + 3 H2O + 0.5 O2 = MoO4-2 + 2 Se-2 + 6 H+
log_k -55.1079
-delta_H 0 # Not possible to calculate enthalpy of reaction MoSe2
# Enthalpy of formation: -47 kcal/mol
-analytic 1.3882e+2 -1.859e-3 -1.7231e+4 -5.4797e+1 -2.9265e+2
# -Range: 0-200
Modderite
CoAs + 3 H+ = AsH3 + Co+3
log_k -49.5512
-delta_H 189.016 kJ/mol # Calculated enthalpy of reaction Modderite
# Enthalpy of formation: -12.208 kcal/mol
Molysite
FeCl3 = Fe+3 + 3 Cl-
log_k 13.5517
-delta_H -151.579 kJ/mol # Calculated enthalpy of reaction Molysite
# Enthalpy of formation: -399.24 kJ/mol
-analytic -3.181e+2 -1.2357e-1 1.386e+4 1.301e+2 2.1637e+2
# -Range: 0-300
Monohydrocalcite
CaCO3:H2O + H+ = Ca+2 + H2O + HCO3-
log_k 2.6824
-delta_H -20.5648 kJ/mol # Calculated enthalpy of reaction Monohydrocalcite
# Enthalpy of formation: -1498.29 kJ/mol
-analytic -7.2614e+1 -1.7217e-2 3.185e+3 2.8185e+1 5.4111e+1
# -Range: 0-200
Monteponite
CdO + 2 H+ = Cd+2 + H2O
log_k 15.0972
-delta_H -103.386 kJ/mol # Calculated enthalpy of reaction Monteponite
# Enthalpy of formation: -258.35 kJ/mol
-analytic -5.0057e+1 -6.3629e-3 7.0898e+3 1.7486e+1 1.2041e+2
# -Range: 0-200
Monticellite
CaMgSiO4 + 4 H+ = Ca+2 + Mg+2 + SiO2 + 2 H2O
log_k 29.5852
-delta_H -195.711 kJ/mol # Calculated enthalpy of reaction Monticellite
# Enthalpy of formation: -540.8 kcal/mol
-analytic 1.573e+1 -3.5567e-3 9.0789e+3 -6.3007e+0 1.4166e+2
# -Range: 0-300
Montmor-Ca
Ca.165Mg.33Al1.67Si4O10(OH)2 + 6 H+ = 0.165 Ca+2 + 0.33 Mg+2 + 1.67 Al+3 + 4 H2O + 4 SiO2
log_k 2.4952
-delta_H -100.154 kJ/mol # Calculated enthalpy of reaction Montmor-Ca
# Enthalpy of formation: -1361.5 kcal/mol
-analytic 6.0725e+0 1.0644e-2 1.6024e+4 -1.6334e+1 -1.7982e+6
# -Range: 0-300
Montmor-Cs
Cs.33Mg.33Al1.67Si4O10(OH)2 + 6 H+ = 0.33 Cs+ + 0.33 Mg+2 + 1.67 Al+3 + 4 H2O + 4 SiO2
log_k 1.9913
-delta_H -87.2259 kJ/mol # Calculated enthalpy of reaction Montmor-Cs
# Enthalpy of formation: -1363.52 kcal/mol
-analytic 9.9136e+0 1.2496e-2 1.565e+4 -1.7601e+1 -1.8434e+6
# -Range: 0-300
Montmor-K
K.33Mg.33Al1.67Si4O10(OH)2 + 6 H+ = 0.33 K+ + 0.33 Mg+2 + 1.67 Al+3 + 4 H2O + 4 SiO2
log_k 2.1423
-delta_H -88.184 kJ/mol # Calculated enthalpy of reaction Montmor-K
# Enthalpy of formation: -1362.83 kcal/mol
-analytic 8.4757e+0 1.1219e-2 1.5654e+4 -1.6833e+1 -1.8386e+6
# -Range: 0-300
Montmor-Mg
Mg.495Al1.67Si4O10(OH)2 + 6 H+ = 0.495 Mg+2 + 1.67 Al+3 + 4 H2O + 4 SiO2
log_k 2.3879
-delta_H -102.608 kJ/mol # Calculated enthalpy of reaction Montmor-Mg
# Enthalpy of formation: -1357.87 kcal/mol
-analytic -6.8505e+0 9.071e-3 1.6817e+4 -1.1887e+1 -1.8323e+6
# -Range: 0-300
Montmor-Na
Na.33Mg.33Al1.67Si4O10(OH)2 + 6 H+ = 0.33 Mg+2 + 0.33 Na+ + 1.67 Al+3 + 4 H2O + 4 SiO2
log_k 2.4844
-delta_H -93.2165 kJ/mol # Calculated enthalpy of reaction Montmor-Na
# Enthalpy of formation: -1360.69 kcal/mol
-analytic 1.9601e+0 1.1342e-2 1.6051e+4 -1.4718e+1 -1.816e+6
# -Range: 0-300
Montroydite
HgO + 2 H+ = H2O + Hg+2
log_k 2.4486
-delta_H -24.885 kJ/mol # Calculated enthalpy of reaction Montroydite
# Enthalpy of formation: -90.79 kJ/mol
-analytic -8.7302e+1 -1.7618e-2 4.0086e+3 3.2957e+1 6.2576e+1
# -Range: 0-300
Mordenite
Ca.2895Na.361Al.94Si5.06O12:3.468H2O + 3.76 H+ = 0.2895 Ca+2 + 0.361 Na+ + 0.94 Al+3 + 5.06 SiO2 + 5.348 H2O
log_k -5.1969
-delta_H 16.7517 kJ/mol # Calculated enthalpy of reaction Mordenite
# Enthalpy of formation: -6736.64 kJ/mol
-analytic -5.4675e+1 3.2513e-2 2.3412e+4 -1.0419e+0 -3.2292e+6
# -Range: 0-300
Mordenite-dehy
Ca.2895Na.361Al.94Si5.06O12 + 3.76 H+ = 0.2895 Ca+2 + 0.361 Na+ + 0.94 Al+3 + 1.88 H2O + 5.06 SiO2
log_k 9.9318
-delta_H -86.159 kJ/mol # Calculated enthalpy of reaction Mordenite-dehy
# Enthalpy of formation: -5642.44 kJ/mol
-analytic -5.0841e+1 2.5405e-2 2.7621e+4 -1.6331e+0 -3.1618e+6
# -Range: 0-300
Morenosite
NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O
log_k -2.014
-delta_H 12.0185 kJ/mol # Calculated enthalpy of reaction Morenosite
# Enthalpy of formation: -2976.46 kJ/mol
-analytic -2.6654e+2 -7.2132e-2 6.7983e+3 1.0636e+2 1.0616e+2
# -Range: 0-300
Muscovite
KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 SiO2 + 6 H2O
log_k 13.5858
-delta_H -243.224 kJ/mol # Calculated enthalpy of reaction Muscovite
# Enthalpy of formation: -1427.41 kcal/mol
-analytic 3.3085e+1 -1.2425e-2 1.2477e+4 -2.0865e+1 -5.4692e+5
# -Range: 0-300
NH4HSe
NH4HSe = NH3 + Se-2 + 2 H+
log_k -22.0531
-delta_H 0 # Not possible to calculate enthalpy of reaction NH4HSe
# Enthalpy of formation: -133.041 kJ/mol
-analytic -8.8685e+0 6.7342e-3 -5.3028e+3 1.0468e+0 -9.0046e+1
# -Range: 0-200
Na
Na + H+ + 0.25 O2 = 0.5 H2O + Na+
log_k 67.3804
-delta_H -380.185 kJ/mol # Calculated enthalpy of reaction Na
# Enthalpy of formation: 0 kJ/mol
-analytic -4.0458e+1 -8.7899e-3 2.1223e+4 1.5927e+1 -1.2715e+4
# -Range: 0-300
Na2CO3
Na2CO3 + H+ = HCO3- + 2 Na+
log_k 11.1822
-delta_H -39.8526 kJ/mol # Calculated enthalpy of reaction Na2CO3
# Enthalpy of formation: -1130.68 kJ/mol
-analytic -1.5495e+2 -4.3374e-2 6.4821e+3 6.3571e+1 1.0119e+2
# -Range: 0-300
Na2CO3:7H2O
Na2CO3:7H2O + H+ = HCO3- + 2 Na+ + 7 H2O
log_k 9.9459
-delta_H 27.7881 kJ/mol # Calculated enthalpy of reaction Na2CO3:7H2O
# Enthalpy of formation: -3199.19 kJ/mol
-analytic -2.0593e+2 -3.4509e-3 8.1601e+3 7.6594e+1 1.3864e+2
# -Range: 0-200
Na2Cr2O7
Na2Cr2O7 + H2O = 2 CrO4-2 + 2 H+ + 2 Na+
log_k -10.1597
-delta_H 21.9702 kJ/mol # Calculated enthalpy of reaction Na2Cr2O7
# Enthalpy of formation: -473 kcal/mol
-analytic 4.4885e+1 -2.4919e-2 -5.0321e+3 -1.243e+1 -8.5468e+1
# -Range: 0-200
Na2CrO4
Na2CrO4 = CrO4-2 + 2 Na+
log_k 2.9103
-delta_H -19.5225 kJ/mol # Calculated enthalpy of reaction Na2CrO4
# Enthalpy of formation: -320.8 kcal/mol
-analytic 5.4985e+0 -9.9008e-3 1.051e+2 0e+0 0e+0
# -Range: 0-200
Na2O
Na2O + 2 H+ = H2O + 2 Na+
log_k 67.4269
-delta_H -351.636 kJ/mol # Calculated enthalpy of reaction Na2O
# Enthalpy of formation: -99.14 kcal/mol
-analytic -6.3585e+1 -8.4695e-3 2.0923e+4 2.5601e+1 3.2651e+2
# -Range: 0-300
Na2Se
Na2Se = Se-2 + 2 Na+
log_k 11.8352
-delta_H 0 # Not possible to calculate enthalpy of reaction Na2Se
# Enthalpy of formation: -81.9 kcal/mol
-analytic -6.007e+0 8.2821e-3 4.5816e+3 0e+0 0e+0
# -Range: 0-200
Na2Se2
Na2Se2 + H2O = 0.5 O2 + 2 H+ + 2 Na+ + 2 Se-2
log_k -61.3466
-delta_H 0 # Not possible to calculate enthalpy of reaction Na2Se2
# Enthalpy of formation: -92.8 kcal/mol
-analytic -2.7836e+1 7.7035e-3 -1.504e+4 5.9131e+0 -2.5539e+2
# -Range: 0-200
Na2SiO3
Na2SiO3 + 2 H+ = H2O + SiO2 + 2 Na+
log_k 22.2418
-delta_H -82.7093 kJ/mol # Calculated enthalpy of reaction Na2SiO3
# Enthalpy of formation: -373.19 kcal/mol
-analytic -3.4928e+1 5.6905e-3 1.0284e+4 1.1197e+1 -6.0134e+5
# -Range: 0-300
Na2U2O7
Na2U2O7 + 6 H+ = 2 Na+ + 2 UO2+2 + 3 H2O
log_k 22.5917
-delta_H -172.314 kJ/mol # Calculated enthalpy of reaction Na2U2O7
# Enthalpy of formation: -3203.8 kJ/mol
-analytic -8.664e+1 -1.0903e-2 1.1841e+4 2.9406e+1 1.8479e+2
# -Range: 0-300
Na2UO4(alpha)
Na2UO4 + 4 H+ = UO2+2 + 2 H2O + 2 Na+
log_k 30.0231
-delta_H -173.576 kJ/mol # Calculated enthalpy of reaction Na2UO4(alpha)
# Enthalpy of formation: -1897.7 kJ/mol
-analytic -7.9767e+1 -1.0253e-2 1.1963e+4 2.9386e+1 1.8669e+2
# -Range: 0-300
Na3H(SO4)2
Na3H(SO4)2 = H+ + 2 SO4-2 + 3 Na+
log_k -0.8906
-delta_H 0 # Not possible to calculate enthalpy of reaction Na3H(SO4)2
# Enthalpy of formation: 0 kcal/mol
Na3UO4
Na3UO4 + 4 H+ = UO2+ + 2 H2O + 3 Na+
log_k 56.2574
-delta_H -293.703 kJ/mol # Calculated enthalpy of reaction Na3UO4
# Enthalpy of formation: -2024 kJ/mol
-analytic -9.6724e+1 -6.2485e-3 1.9469e+4 3.618e+1 3.0382e+2
# -Range: 0-300
Na4Ca(SO4)3:2H2O
Na4Ca(SO4)3:2H2O = Ca+2 + 2 H2O + 3 SO4-2 + 4 Na+
log_k -5.8938
-delta_H 0 # Not possible to calculate enthalpy of reaction Na4Ca(SO4)3:2H2O
# Enthalpy of formation: 0 kcal/mol
Na4SiO4
Na4SiO4 + 4 H+ = SiO2 + 2 H2O + 4 Na+
log_k 70.6449
-delta_H -327.779 kJ/mol # Calculated enthalpy of reaction Na4SiO4
# Enthalpy of formation: -497.8 kcal/mol
-analytic -1.1969e+2 -6.5032e-3 2.6469e+4 4.4626e+1 -6.2007e+5
# -Range: 0-300
Na4UO2(CO3)3
Na4UO2(CO3)3 + 3 H+ = UO2+2 + 3 HCO3- + 4 Na+
log_k 4.0395
-delta_H 0 # Not possible to calculate enthalpy of reaction Na4UO2(CO3)3
# Enthalpy of formation: 0 kcal/mol
Na6Si2O7
Na6Si2O7 + 6 H+ = 2 SiO2 + 3 H2O + 6 Na+
log_k 101.6199
-delta_H -471.951 kJ/mol # Calculated enthalpy of reaction Na6Si2O7
# Enthalpy of formation: -856.3 kcal/mol
-analytic -1.059e+2 4.5576e-3 3.683e+4 3.803e+1 -1.0276e+6
# -Range: 0-300
NaBr
NaBr = Br- + Na+
log_k 2.9739
-delta_H -0.741032 kJ/mol # Calculated enthalpy of reaction NaBr
# Enthalpy of formation: -361.062 kJ/mol
-analytic -9.3227e+1 -3.278e-2 2.291e+3 3.9713e+1 3.5777e+1
# -Range: 0-300
NaBr:2H2O
NaBr:2H2O = Br- + Na+ + 2 H2O
log_k 2.104
-delta_H 18.4883 kJ/mol # Calculated enthalpy of reaction NaBr:2H2O
# Enthalpy of formation: -951.968 kJ/mol
-analytic -4.1855e+1 -4.617e-3 8.3883e+2 1.7182e+1 1.4259e+1
# -Range: 0-200
NaFeO2
NaFeO2 + 4 H+ = Fe+3 + Na+ + 2 H2O
log_k 19.8899
-delta_H -163.339 kJ/mol # Calculated enthalpy of reaction NaFeO2
# Enthalpy of formation: -698.218 kJ/mol
-analytic -7.0047e+1 -9.6226e-3 1.0647e+4 2.3071e+1 1.8082e+2
# -Range: 0-200
NaNpO2CO3:3.5H2O
NaNpO2CO3:3.5H2O + H+ = HCO3- + Na+ + NpO2+ + 3.5 H2O
log_k -1.2342
-delta_H 27.0979 kJ/mol # Calculated enthalpy of reaction NaNpO2CO3:3.5H2O
# Enthalpy of formation: -2935.76 kJ/mol
-analytic -1.4813e+2 -2.7355e-2 3.6537e+3 5.7701e+1 5.7055e+1
# -Range: 0-300
NaTcO4
NaTcO4 = Na+ + TcO4-
log_k 1.5208
-delta_H 0 # Not possible to calculate enthalpy of reaction NaTcO4
# Enthalpy of formation: 0 kcal/mol
NaUO3
NaUO3 + 2 H+ = H2O + Na+ + UO2+
log_k 8.3371
-delta_H -56.365 kJ/mol # Calculated enthalpy of reaction NaUO3
# Enthalpy of formation: -1494.9 kJ/mol
-analytic -3.6363e+1 7.0505e-4 4.5359e+3 1.1828e+1 7.079e+1
# -Range: 0-300
Nahcolite
NaHCO3 = HCO3- + Na+
log_k -0.1118
-delta_H 17.0247 kJ/mol # Calculated enthalpy of reaction Nahcolite
# Enthalpy of formation: -226.4 kcal/mol
-analytic -2.2282e+2 -5.9693e-2 5.4887e+3 8.9744e+1 8.5712e+1
# -Range: 0-300
Nantokite
CuCl = Cl- + Cu+
log_k -6.7623
-delta_H 41.9296 kJ/mol # Calculated enthalpy of reaction Nantokite
# Enthalpy of formation: -137.329 kJ/mol
-analytic -2.2442e+1 -1.1201e-2 -1.8709e+3 1.0221e+1 -3.1763e+1
# -Range: 0-200
Natrolite
Na2Al2Si3O10:2H2O + 8 H+ = 2 Al+3 + 2 Na+ + 3 SiO2 + 6 H2O
log_k 18.5204
-delta_H -186.971 kJ/mol # Calculated enthalpy of reaction Natrolite
# Enthalpy of formation: -5718.56 kJ/mol
-analytic -2.7712e+1 -2.7963e-3 1.6075e+4 1.5332e+0 -9.5765e+5
# -Range: 0-300
Natron
Na2CO3:10H2O + H+ = HCO3- + 2 Na+ + 10 H2O
log_k 9.6102
-delta_H 50.4781 kJ/mol # Calculated enthalpy of reaction Natron
# Enthalpy of formation: -4079.39 kJ/mol
-analytic -1.9981e+2 -2.9247e-2 5.2937e+3 8.0973e+1 8.2662e+1
# -Range: 0-300
Natrosilite
Na2Si2O5 + 2 H+ = H2O + 2 Na+ + 2 SiO2
log_k 18.1337
-delta_H -51.7686 kJ/mol # Calculated enthalpy of reaction Natrosilite
# Enthalpy of formation: -590.36 kcal/mol
-analytic -2.7628e+1 1.6865e-2 1.3302e+4 4.2356e+0 -1.2828e+6
# -Range: 0-300
Naumannite
Ag2Se = Se-2 + 2 Ag+
log_k -57.4427
-delta_H 0 # Not possible to calculate enthalpy of reaction Naumannite
# Enthalpy of formation: -37.441 kJ/mol
-analytic -5.3844e+1 -1.0965e-2 -1.4739e+4 1.9842e+1 -2.2998e+2
# -Range: 0-300
Nd
Nd + 3 H+ + 0.75 O2 = Nd+3 + 1.5 H2O
log_k 182.2233
-delta_H -1116.29 kJ/mol # Calculated enthalpy of reaction Nd
# Enthalpy of formation: 0 kJ/mol
-analytic -2.739e+2 -5.6545e-2 7.1502e+4 9.7969e+1 -8.2482e+5
# -Range: 0-300
Nd(OH)3
Nd(OH)3 + 3 H+ = Nd+3 + 3 H2O
log_k 18.0852
-delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3
# Enthalpy of formation: 0 kcal/mol
Nd(OH)3(am)
Nd(OH)3 + 3 H+ = Nd+3 + 3 H2O
log_k 20.4852
-delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3(am)
# Enthalpy of formation: 0 kcal/mol
Nd(OH)3(c)
Nd(OH)3 + 3 H+ = Nd+3 + 3 H2O
log_k 15.7852
-delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3(c)
# Enthalpy of formation: 0 kcal/mol
Nd2(CO3)3
Nd2(CO3)3 + 3 H+ = 2 Nd+3 + 3 HCO3-
log_k -3.6636
-delta_H 0 # Not possible to calculate enthalpy of reaction Nd2(CO3)3
# Enthalpy of formation: 0 kcal/mol
Nd2O3
Nd2O3 + 6 H+ = 2 Nd+3 + 3 H2O
log_k 58.6
-delta_H 0 # Not possible to calculate enthalpy of reaction Nd2O3
# Enthalpy of formation: 0 kcal/mol
NdF3:.5H2O
NdF3:.5H2O = 0.5 H2O + Nd+3 + 3 F-
log_k -18.6
-delta_H 0 # Not possible to calculate enthalpy of reaction NdF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
NdOHCO3
NdOHCO3 + 2 H+ = H2O + HCO3- + Nd+3
log_k 2.8239
-delta_H 0 # Not possible to calculate enthalpy of reaction NdOHCO3
# Enthalpy of formation: 0 kcal/mol
NdPO4:10H2O
NdPO4:10H2O + H+ = HPO4-2 + Nd+3 + 10 H2O
log_k -12.1782
-delta_H 0 # Not possible to calculate enthalpy of reaction NdPO4:10H2O
# Enthalpy of formation: 0 kcal/mol
Nepheline
NaAlSiO4 + 4 H+ = Al+3 + Na+ + SiO2 + 2 H2O
log_k 13.8006
-delta_H -135.068 kJ/mol # Calculated enthalpy of reaction Nepheline
# Enthalpy of formation: -500.241 kcal/mol
-analytic -2.4856e+1 -8.8171e-3 8.5653e+3 6.0904e+0 -2.2786e+5
# -Range: 0-300
Nesquehonite
MgCO3:3H2O + H+ = HCO3- + Mg+2 + 3 H2O
log_k 4.9955
-delta_H -36.1498 kJ/mol # Calculated enthalpy of reaction Nesquehonite
# Enthalpy of formation: -472.576 kcal/mol
-analytic 1.3771e+2 -6.0397e-2 -3.5049e+4 -1.8831e+1 4.4213e+6
# -Range: 0-300
Ni
Ni + 2 H+ + 0.5 O2 = H2O + Ni+2
log_k 50.9914
-delta_H -333.745 kJ/mol # Calculated enthalpy of reaction Ni
# Enthalpy of formation: 0 kcal/mol
-analytic -5.8308e+1 -2.0133e-2 1.8444e+4 2.159e+1 2.8781e+2
# -Range: 0-300
Ni(OH)2
Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O
log_k 12.7485
-delta_H -95.6523 kJ/mol # Calculated enthalpy of reaction Ni(OH)2
# Enthalpy of formation: -529.998 kJ/mol
-analytic -6.5279e+1 -5.9499e-3 7.3471e+3 2.229e+1 1.2479e+2
# -Range: 0-200
Ni2P2O7
Ni2P2O7 + H2O = 2 HPO4-2 + 2 Ni+2
log_k -8.8991
-delta_H 0 # Not possible to calculate enthalpy of reaction Ni2P2O7
# Enthalpy of formation: 0 kcal/mol
Ni2SiO4
Ni2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Ni+2
log_k 14.3416
-delta_H -127.629 kJ/mol # Calculated enthalpy of reaction Ni2SiO4
# Enthalpy of formation: -341.705 kcal/mol
-analytic -4.0414e+1 -1.1194e-2 9.6515e+3 1.2026e+1 -3.6336e+5
# -Range: 0-300
Ni3(PO4)2
Ni3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Ni+2
log_k -6.6414
-delta_H 0 # Not possible to calculate enthalpy of reaction Ni3(PO4)2
# Enthalpy of formation: 0 kcal/mol
NiCO3
NiCO3 + H+ = HCO3- + Ni+2
log_k 3.5118
-delta_H 0 # Not possible to calculate enthalpy of reaction NiCO3
# Enthalpy of formation: 0 kcal/mol
NiCl2
NiCl2 = Ni+2 + 2 Cl-
log_k 8.6113
-delta_H -82.7969 kJ/mol # Calculated enthalpy of reaction NiCl2
# Enthalpy of formation: -305.336 kJ/mol
-analytic -1.2416e+0 -2.3139e-2 2.6529e+3 3.1696e+0 4.5052e+1
# -Range: 0-200
NiCl2:2H2O
NiCl2:2H2O = Ni+2 + 2 Cl- + 2 H2O
log_k 3.9327
-delta_H -37.6746 kJ/mol # Calculated enthalpy of reaction NiCl2:2H2O
# Enthalpy of formation: -922.135 kJ/mol
-analytic -4.8814e+1 -2.2602e-2 2.5951e+3 2.0518e+1 4.4086e+1
# -Range: 0-200
NiCl2:4H2O
NiCl2:4H2O = Ni+2 + 2 Cl- + 4 H2O
log_k 3.8561
-delta_H -15.4373 kJ/mol # Calculated enthalpy of reaction NiCl2:4H2O
# Enthalpy of formation: -1516.05 kJ/mol
-analytic -1.0545e+2 -2.4691e-2 3.9978e+3 4.1727e+1 6.7926e+1
# -Range: 0-200
NiF2
NiF2 = Ni+2 + 2 F-
log_k 0.8772
-delta_H -73.1438 kJ/mol # Calculated enthalpy of reaction NiF2
# Enthalpy of formation: -651.525 kJ/mol
-analytic -2.5291e+2 -8.4179e-2 9.3429e+3 1.0002e+2 1.4586e+2
# -Range: 0-300
NiF2:4H2O
NiF2:4H2O = Ni+2 + 2 F- + 4 H2O
log_k -4.0588
-delta_H 0 # Not possible to calculate enthalpy of reaction NiF2:4H2O
# Enthalpy of formation: 0 kcal/mol
NiSO4
NiSO4 = Ni+2 + SO4-2
log_k 5.3197
-delta_H -90.5092 kJ/mol # Calculated enthalpy of reaction NiSO4
# Enthalpy of formation: -873.066 kJ/mol
-analytic -1.8878e+2 -7.6403e-2 7.9412e+3 7.6866e+1 1.2397e+2
# -Range: 0-300
NiSO4:6H2O(alpha)
NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O
log_k -2.0072
-delta_H 4.37983 kJ/mol # Calculated enthalpy of reaction NiSO4:6H2O(alpha)
# Enthalpy of formation: -2682.99 kJ/mol
-analytic -1.1937e+2 -1.3785e-2 4.1543e+3 4.3454e+1 7.0587e+1
# -Range: 0-200
Nickelbischofite
NiCl2:6H2O = Ni+2 + 2 Cl- + 6 H2O
log_k 3.1681
-delta_H 0.064088 kJ/mol # Calculated enthalpy of reaction Nickelbischofite
# Enthalpy of formation: -2103.23 kJ/mol
-analytic -1.434e+2 -2.1257e-2 5.1858e+3 5.4759e+1 8.8112e+1
# -Range: 0-200
Ningyoite
CaUP2O8:2H2O + 2 H+ = Ca+2 + U+4 + 2 H2O + 2 HPO4-2
log_k -29.7931
-delta_H -36.4769 kJ/mol # Calculated enthalpy of reaction Ningyoite
# Enthalpy of formation: -1016.65 kcal/mol
-analytic -1.0274e+2 -4.9041e-2 1.7779e+3 3.2973e+1 3.0227e+1
# -Range: 0-200
Niter
KNO3 = K+ + NO3-
log_k -0.2061
-delta_H 35.4794 kJ/mol # Calculated enthalpy of reaction Niter
# Enthalpy of formation: -494.46 kJ/mol
-analytic -6.5607e+1 -2.8165e-2 -4.0131e+2 3.0361e+1 -6.2425e+0
# -Range: 0-300
Nitrobarite
Ba(NO3)2 = Ba+2 + 2 NO3-
log_k -2.4523
-delta_H 40.8161 kJ/mol # Calculated enthalpy of reaction Nitrobarite
# Enthalpy of formation: -992.082 kJ/mol
-analytic -1.6179e+2 -6.5831e-2 1.2142e+3 7.0664e+1 1.8995e+1
# -Range: 0-300
Nontronite-Ca
Ca.165Fe2Al.33Si3.67H2O12 + 7.32 H+ = 0.165 Ca+2 + 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O
log_k -11.5822
-delta_H -38.138 kJ/mol # Calculated enthalpy of reaction Nontronite-Ca
# Enthalpy of formation: -1166.7 kcal/mol
-analytic 1.6291e+1 4.3557e-3 1.0221e+4 -1.869e+1 -1.5427e+6
# -Range: 0-300
Nontronite-Cs
Cs.33Si4Fe1.67Mg.33H2O12 + 6 H+ = 0.33 Cs+ + 0.33 Mg+2 + 1.67 Fe+3 + 4 H2O + 4 SiO2
log_k 5.7975
-delta_H -86.6996 kJ/mol # Calculated enthalpy of reaction Nontronite-Cs
# Enthalpy of formation: -1168.54 kcal/mol
-analytic -1.1646e+1 1.0033e-2 1.7668e+4 -9.0129e+0 -2.0143e+6
# -Range: 0-300
Nontronite-H
H.33Fe2Al.33Si3.67H2O12 + 6.99 H+ = 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O
log_k -12.5401
-delta_H -30.452 kJ/mol # Calculated enthalpy of reaction Nontronite-H
# Enthalpy of formation: -1147.12 kcal/mol
-analytic 9.7794e+1 1.4055e-2 4.744e+3 -4.7272e+1 -1.2103e+6
# -Range: 0-300
Nontronite-K
K.33Fe2Al.33Si3.67H2O12 + 7.32 H+ = 0.33 Al+3 + 0.33 K+ + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O
log_k -11.8648
-delta_H -26.5822 kJ/mol # Calculated enthalpy of reaction Nontronite-K
# Enthalpy of formation: -1167.93 kcal/mol
-analytic 1.363e+1 4.7708e-3 1.0073e+4 -1.7407e+1 -1.5803e+6
# -Range: 0-300
Nontronite-Mg
Mg.165Fe2Al.33Si3.67H2O12 + 7.32 H+ = 0.165 Mg+2 + 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O
log_k -11.62
-delta_H -41.1779 kJ/mol # Calculated enthalpy of reaction Nontronite-Mg
# Enthalpy of formation: -1162.93 kcal/mol
-analytic 5.5961e+1 1.0139e-2 8.0777e+3 -3.3164e+1 -1.4031e+6
# -Range: 0-300
Nontronite-Na
Na.33Fe2Al.33Si3.67H2O12 + 7.32 H+ = 0.33 Al+3 + 0.33 Na+ + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O
log_k -11.5263
-delta_H -31.5687 kJ/mol # Calculated enthalpy of reaction Nontronite-Na
# Enthalpy of formation: -1165.8 kcal/mol
-analytic 6.7915e+1 1.2851e-2 7.1218e+3 -3.7112e+1 -1.3758e+6
# -Range: 0-300
Np
Np + 4 H+ + O2 = Np+4 + 2 H2O
log_k 174.1077
-delta_H -1115.54 kJ/mol # Calculated enthalpy of reaction Np
# Enthalpy of formation: 0 kJ/mol
-analytic -3.2136e+1 -1.434e-2 5.7853e+4 6.6512e+0 9.0275e+2
# -Range: 0-300
Np(HPO4)2
Np(HPO4)2 = Np+4 + 2 HPO4-2
log_k -30.9786
-delta_H -18.6219 kJ/mol # Calculated enthalpy of reaction Np(HPO4)2
# Enthalpy of formation: -3121.54 kJ/mol
-analytic -3.6627e+2 -1.3955e-1 7.137e+3 1.4261e+2 1.1147e+2
# -Range: 0-300
Np(OH)4
Np(OH)4 + 4 H+ = Np+4 + 4 H2O
log_k 0.8103
-delta_H -78.4963 kJ/mol # Calculated enthalpy of reaction Np(OH)4
# Enthalpy of formation: -1620.86 kJ/mol
-analytic -9.5122e+1 -1.0532e-2 7.1132e+3 3.0398e+1 1.1102e+2
# -Range: 0-300
Np2O5
Np2O5 + 2 H+ = H2O + 2 NpO2+
log_k 9.5
-delta_H -94.4576 kJ/mol # Calculated enthalpy of reaction Np2O5
# Enthalpy of formation: -513.232 kcal/mol
-analytic 5.9974e+3 1.4553e+0 -1.7396e+5 -2.3595e+3 -2.9689e+3
# -Range: 25-150
NpO2
NpO2 + 4 H+ = Np+4 + 2 H2O
log_k -7.8026
-delta_H -53.6087 kJ/mol # Calculated enthalpy of reaction NpO2
# Enthalpy of formation: -1074.07 kJ/mol
-analytic -7.0053e+1 -1.1017e-2 4.4742e+3 2.0421e+1 6.9836e+1
# -Range: 0-300
NpO2(OH)2
NpO2(OH)2 + 2 H+ = NpO2+2 + 2 H2O
log_k 5.9851
-delta_H -54.9977 kJ/mol # Calculated enthalpy of reaction NpO2(OH)2
# Enthalpy of formation: -1377.16 kJ/mol
-analytic -2.7351e+1 -1.5987e-3 3.8301e+3 8.4735e+0 5.9773e+1
# -Range: 0-300
NpO2OH(am)
NpO2OH + H+ = H2O + NpO2+
log_k 4.2364
-delta_H -39.6673 kJ/mol # Calculated enthalpy of reaction NpO2OH(am)
# Enthalpy of formation: -1224.16 kJ/mol
-analytic -3.8824e+0 6.7122e-3 2.539e+3 -9.704e-1 3.9619e+1
# -Range: 0-300
Okenite
CaSi2O4(OH)2:H2O + 2 H+ = Ca+2 + 2 SiO2 + 3 H2O
log_k 10.3816
-delta_H -19.4974 kJ/mol # Calculated enthalpy of reaction Okenite
# Enthalpy of formation: -749.641 kcal/mol
-analytic -7.7353e+1 1.5091e-2 1.3023e+4 2.1337e+1 -1.1831e+6
# -Range: 0-300
Orpiment
As2S3 + 6 H2O = 2 H2AsO3- + 3 HS- + 5 H+
log_k -79.4159
-delta_H 406.539 kJ/mol # Calculated enthalpy of reaction Orpiment
# Enthalpy of formation: -169.423 kJ/mol
-analytic -3.3964e+2 -1.4977e-1 -1.5711e+4 1.4448e+2 -2.4505e+2
# -Range: 0-300
Otavite
CdCO3 + H+ = Cd+2 + HCO3-
log_k -1.7712
-delta_H 0 # Not possible to calculate enthalpy of reaction Otavite
# Enthalpy of formation: 0 kcal/mol
Ottemannite
Sn2S3 + 3 H+ = Sn+2 + Sn+4 + 3 HS-
log_k -46.2679
-delta_H 236.727 kJ/mol # Calculated enthalpy of reaction Ottemannite
# Enthalpy of formation: -63 kcal/mol
-analytic -6.2863e+1 -5.9171e-2 -1.3469e+4 3.2092e+1 -2.287e+2
# -Range: 0-200
Oxychloride-Mg
Mg2Cl(OH)3:4H2O + 3 H+ = Cl- + 2 Mg+2 + 7 H2O
log_k 25.8319
-delta_H 0 # Not possible to calculate enthalpy of reaction Oxychloride-Mg
# Enthalpy of formation: 0 kcal/mol
P
P + 1.5 H2O + 1.25 O2 = HPO4-2 + 2 H+
log_k 132.1032
-delta_H -848.157 kJ/mol # Calculated enthalpy of reaction P
# Enthalpy of formation: 0 kJ/mol
-analytic -9.2727e+1 -6.8342e-2 4.3465e+4 4.0156e+1 6.7826e+2
# -Range: 0-300
Paragonite
NaAl3Si3O10(OH)2 + 10 H+ = Na+ + 3 Al+3 + 3 SiO2 + 6 H2O
log_k 17.522
-delta_H -275.056 kJ/mol # Calculated enthalpy of reaction Paragonite
# Enthalpy of formation: -1416.96 kcal/mol
-analytic 3.5507e+1 -1.072e-2 1.3519e+4 -2.2283e+1 -4.5657e+5
# -Range: 0-300
Paralaurionite
PbClOH + H+ = Cl- + H2O + Pb+2
log_k 0.2035
-delta_H 8.41948 kJ/mol # Calculated enthalpy of reaction Paralaurionite
# Enthalpy of formation: -460.417 kJ/mol
-analytic -1.1245e+1 -1.052e-2 -5.3551e+2 6.6175e+0 -9.0896e+0
# -Range: 0-200
Pargasite
NaCa2Al3Mg4Si6O22(OH)2 + 22 H+ = Na+ + 2 Ca+2 + 3 Al+3 + 4 Mg+2 + 6 SiO2 + 12 H2O
log_k 101.9939
-delta_H -880.205 kJ/mol # Calculated enthalpy of reaction Pargasite
# Enthalpy of formation: -3016.62 kcal/mol
-analytic -6.7889e+1 -3.7817e-2 5.0493e+4 9.2705e+0 -1.0163e+6
# -Range: 0-300
Parsonsite
Pb2UO2(PO4)2:2H2O + 2 H+ = UO2+2 + 2 H2O + 2 HPO4-2 + 2 Pb+2
log_k -27.7911
-delta_H 0 # Not possible to calculate enthalpy of reaction Parsonsite
# Enthalpy of formation: 0 kcal/mol
Pb
Pb + 2 H+ + 0.5 O2 = H2O + Pb+2
log_k 47.1871
-delta_H -278.851 kJ/mol # Calculated enthalpy of reaction Pb
# Enthalpy of formation: 0 kJ/mol
-analytic -3.1784e+1 -1.4816e-2 1.4984e+4 1.3383e+1 2.3381e+2
# -Range: 0-300
Pb(H2PO4)2
Pb(H2PO4)2 = Pb+2 + 2 H+ + 2 HPO4-2
log_k -9.84
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(H2PO4)2
# Enthalpy of formation: 0 kcal/mol
Pb(IO3)2
Pb(IO3)2 = Pb+2 + 2 IO3-
log_k -12.5173
-delta_H 53.7783 kJ/mol # Calculated enthalpy of reaction Pb(IO3)2
# Enthalpy of formation: -495.525 kJ/mol
-analytic -5.3573e+0 -1.4164e-2 -3.6236e+3 3.7209e+0 -6.1532e+1
# -Range: 0-200
Pb(N3)2(mono)
Pb(N3)2 = Pb+2 + 2 N3-
log_k -8.3583
-delta_H 72.9495 kJ/mol # Calculated enthalpy of reaction Pb(N3)2(mono)
# Enthalpy of formation: 478.251 kJ/mol
-analytic 6.0051e+1 -1.1168e-2 -7.0041e+3 -1.6812e+1 -1.1896e+2
# -Range: 0-200
Pb(N3)2(orth)
Pb(N3)2 = Pb+2 + 2 N3-
log_k -8.7963
-delta_H 75.0615 kJ/mol # Calculated enthalpy of reaction Pb(N3)2(orth)
# Enthalpy of formation: 476.139 kJ/mol
-analytic 5.9779e+1 -1.1215e-2 -7.1081e+3 -1.6732e+1 -1.2073e+2
# -Range: 0-200
Pb(Thiocyanate)2
Pb(Thiocyanate)2 = Pb+2 + 2 Thiocyanate-
log_k -0.091
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(Thiocyanate)2
# Enthalpy of formation: 151.212 kJ/mol
-analytic 7.4247e+0 -1.6226e-2 0e+0 0e+0 -2.3938e+5
# -Range: 0-200
Pb2Cl2CO3
Pb2Cl2CO3 + H+ = HCO3- + 2 Cl- + 2 Pb+2
log_k -9.618
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb2Cl2CO3
# Enthalpy of formation: 0 kcal/mol
Pb2Cl5NH4
Pb2Cl5NH4 = H+ + NH3 + 2 Pb+2 + 5 Cl-
log_k -19.61
-delta_H 119.617 kJ/mol # Calculated enthalpy of reaction Pb2Cl5NH4
# Enthalpy of formation: -1034.51 kJ/mol
-analytic 1.3149e+1 -4.8598e-2 -9.8473e+3 5.9552e+0 -1.6723e+2
# -Range: 0-200
Pb2O(N3)2
Pb2O(N3)2 + 2 H+ = H2O + 2 N3- + 2 Pb+2
log_k -13.7066
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb2O(N3)2
# Enthalpy of formation: 0 kcal/mol
Pb2SiO4
Pb2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Pb+2
log_k 18.037
-delta_H -83.9883 kJ/mol # Calculated enthalpy of reaction Pb2SiO4
# Enthalpy of formation: -1363.55 kJ/mol
-analytic 2.7287e+2 6.3875e-2 -3.7001e+3 -1.0568e+2 -6.2927e+1
# -Range: 0-200
Pb3(PO4)2
Pb3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Pb+2
log_k -19.9744
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb3(PO4)2
# Enthalpy of formation: 0 kcal/mol
Pb3SO6
Pb3SO6 + 4 H+ = SO4-2 + 2 H2O + 3 Pb+2
log_k 10.5981
-delta_H -79.3438 kJ/mol # Calculated enthalpy of reaction Pb3SO6
# Enthalpy of formation: -1399.17 kJ/mol
-analytic -5.3308e+0 -1.8639e-2 3.0245e+3 4.576e+0 5.1362e+1
# -Range: 0-200
Pb4Cl2(OH)6
Pb4Cl2(OH)6 + 6 H+ = 2 Cl- + 4 Pb+2 + 6 H2O
log_k 17.2793
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb4Cl2(OH)6
# Enthalpy of formation: 0 kcal/mol
Pb4O(PO4)2
Pb4O(PO4)2 + 4 H+ = H2O + 2 HPO4-2 + 4 Pb+2
log_k -12.5727
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb4O(PO4)2
# Enthalpy of formation: 0 kcal/mol
Pb4SO7
Pb4SO7 + 6 H+ = SO4-2 + 3 H2O + 4 Pb+2
log_k 21.7354
-delta_H -136.566 kJ/mol # Calculated enthalpy of reaction Pb4SO7
# Enthalpy of formation: -1626.87 kJ/mol
-analytic -2.6884e+1 -2.1429e-2 6.839e+3 1.2951e+1 1.1614e+2
# -Range: 0-200
PbBr2
PbBr2 = Pb+2 + 2 Br-
log_k -5.2413
-delta_H 36.3838 kJ/mol # Calculated enthalpy of reaction PbBr2
# Enthalpy of formation: -278.47 kJ/mol
-analytic 3.0977e+1 -1.6567e-2 -4.2879e+3 -6.8329e+0 -7.2825e+1
# -Range: 0-200
PbBrF
PbBrF = Br- + F- + Pb+2
log_k -8.0418
-delta_H 0 # Not possible to calculate enthalpy of reaction PbBrF
# Enthalpy of formation: 0 kcal/mol
PbCO3.PbO
PbCO3PbO + 3 H+ = H2O + HCO3- + 2 Pb+2
log_k 9.6711
-delta_H -55.4286 kJ/mol # Calculated enthalpy of reaction PbCO3.PbO
# Enthalpy of formation: -918.502 kJ/mol
-analytic -4.216e+1 -1.4124e-2 3.8661e+3 1.7404e+1 6.5667e+1
# -Range: 0-200
PbF2
PbF2 = Pb+2 + 2 F-
log_k -5.2047
-delta_H -5.83772 kJ/mol # Calculated enthalpy of reaction PbF2
# Enthalpy of formation: -663.937 kJ/mol
-analytic -2.2712e+2 -7.9552e-2 5.2198e+3 9.2173e+1 8.1516e+1
# -Range: 0-300
PbFCl
PbFCl = Cl- + F- + Pb+2
log_k -8.982
-delta_H 33.1852 kJ/mol # Calculated enthalpy of reaction PbFCl
# Enthalpy of formation: -534.692 kJ/mol
-analytic 6.1688e+0 -2.0732e-2 -3.4666e+3 1.0697e+0 -5.8869e+1
# -Range: 0-200
PbHPO4
PbHPO4 = HPO4-2 + Pb+2
log_k -15.7275
-delta_H 0 # Not possible to calculate enthalpy of reaction PbHPO4
# Enthalpy of formation: 0 kcal/mol
PbI2
PbI2 = Pb+2 + 2 I-
log_k -8.0418
-delta_H 62.5717 kJ/mol # Calculated enthalpy of reaction PbI2
# Enthalpy of formation: -175.456 kJ/mol
-analytic 1.5277e+1 -2.0582e-2 -5.1256e+3 0e+0 0e+0
# -Range: 0-200
PbSO4(NH3)2
PbSO4(NH3)2 = Pb+2 + SO4-2 + 2 NH3
log_k -2.0213
-delta_H 28.284 kJ/mol # Calculated enthalpy of reaction PbSO4(NH3)2
# Enthalpy of formation: -1099.64 kJ/mol
-analytic 3.5718e-1 -1.0192e-2 -2.0095e+3 2.9853e+0 -3.4124e+1
# -Range: 0-200
PbSO4(NH3)4
PbSO4(NH3)4 = Pb+2 + SO4-2 + 4 NH3
log_k 1.5024
-delta_H 31.155 kJ/mol # Calculated enthalpy of reaction PbSO4(NH3)4
# Enthalpy of formation: -1265.18 kJ/mol
-analytic -4.108e+1 -7.2307e-3 6.6637e+1 1.7984e+1 1.146e+0
# -Range: 0-200
PbSeO4
PbSeO4 = Pb+2 + SeO4-2
log_k -6.9372
-delta_H 10.8967 kJ/mol # Calculated enthalpy of reaction PbSeO4
# Enthalpy of formation: -609.125 kJ/mol
-analytic 3.1292e+1 -1.4192e-2 -3.098e+3 -9.5448e+0 -5.2618e+1
# -Range: 0-200
Pd
Pd + 2 H+ + 0.5 O2 = H2O + Pd+2
log_k 12.0688
-delta_H -103.709 kJ/mol # Calculated enthalpy of reaction Pd
# Enthalpy of formation: 0 kcal/mol
-analytic -6.253e+1 -1.9774e-2 6.7013e+3 2.3441e+1 1.0459e+2
# -Range: 0-300
PdO
PdO + 2 H+ = H2O + Pd+2
log_k 0.0643
-delta_H -24.422 kJ/mol # Calculated enthalpy of reaction PdO
# Enthalpy of formation: -20.4 kcal/mol
-analytic -8.8921e+1 -1.9031e-2 3.8537e+3 3.3028e+1 6.0159e+1
# -Range: 0-300
Penroseite
NiSe2 + H2O = 0.5 O2 + Ni+2 + 2 H+ + 2 Se-2
log_k -98.8004
-delta_H 0 # Not possible to calculate enthalpy of reaction Penroseite
# Enthalpy of formation: -26 kcal/mol
-analytic -4.7339e+1 -1.2035e-2 -2.3589e+4 1.2624e+1 -3.6808e+2
# -Range: 0-300
Pentahydrite
MgSO4:5H2O = Mg+2 + SO4-2 + 5 H2O
log_k -1.3872
-delta_H 0 # Not possible to calculate enthalpy of reaction Pentahydrite
# Enthalpy of formation: 0 kcal/mol
Periclase
MgO + 2 H+ = H2O + Mg+2
log_k 21.3354
-delta_H -150.139 kJ/mol # Calculated enthalpy of reaction Periclase
# Enthalpy of formation: -143.8 kcal/mol
-analytic -8.8465e+1 -1.839e-2 1.0414e+4 3.2469e+1 1.6253e+2
# -Range: 0-300
Petalite
LiAlSi4O10 + 4 H+ = Al+3 + Li+ + 2 H2O + 4 SiO2
log_k -3.8153
-delta_H -13.1739 kJ/mol # Calculated enthalpy of reaction Petalite
# Enthalpy of formation: -4886.15 kJ/mol
-analytic -6.6355e+0 2.4316e-2 1.5949e+4 -1.3341e+1 -2.2265e+6
# -Range: 0-300
Phlogopite
KAlMg3Si3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Mg+2 + 3 SiO2 + 6 H2O
log_k 37.44
-delta_H -310.503 kJ/mol # Calculated enthalpy of reaction Phlogopite
# Enthalpy of formation: -1488.07 kcal/mol
-analytic -8.773e+1 -1.7253e-2 2.3748e+4 2.4465e+1 -8.9045e+5
# -Range: 0-300
Phosgenite
Pb2(CO3)Cl2 + H+ = HCO3- + 2 Cl- + 2 Pb+2
log_k -9.6355
-delta_H 49.0844 kJ/mol # Calculated enthalpy of reaction Phosgenite
# Enthalpy of formation: -1071.34 kJ/mol
-analytic 3.4909e+0 -2.9365e-2 -4.6327e+3 4.5068e+0 -7.8671e+1
# -Range: 0-200
Picromerite
K2Mg(SO4)2:6H2O = Mg+2 + 2 K+ + 2 SO4-2 + 6 H2O
log_k -4.4396
-delta_H 0 # Not possible to calculate enthalpy of reaction Picromerite
# Enthalpy of formation: 0 kcal/mol
Pirssonite
Na2Ca(CO3)2:2H2O + 2 H+ = Ca+2 + 2 H2O + 2 HCO3- + 2 Na+
log_k 11.323
-delta_H 0 # Not possible to calculate enthalpy of reaction Pirssonite
# Enthalpy of formation: 0 kcal/mol
Plattnerite
PbO2 + 4 H+ = Pb+4 + 2 H2O
log_k -7.9661
-delta_H 0 # Not possible to calculate enthalpy of reaction Plattnerite
# Enthalpy of formation: -277.363 kJ/mol
Plumbogummite
PbAl3(PO4)2(OH)5:H2O + 7 H+ = Pb+2 + 2 HPO4-2 + 3 Al+3 + 6 H2O
log_k -8.1463
-delta_H 0 # Not possible to calculate enthalpy of reaction Plumbogummite
# Enthalpy of formation: 0 kcal/mol
Pm
Pm + 3 H+ + 0.75 O2 = Pm+3 + 1.5 H2O
log_k 180.6737
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm
# Enthalpy of formation: 0 kcal/mol
Pm(OH)3
Pm(OH)3 + 3 H+ = Pm+3 + 3 H2O
log_k 17.4852
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3
# Enthalpy of formation: 0 kcal/mol
Pm(OH)3(am)
Pm(OH)3 + 3 H+ = Pm+3 + 3 H2O
log_k 18.2852
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3(am)
# Enthalpy of formation: 0 kcal/mol
Pm2(CO3)3
Pm2(CO3)3 + 3 H+ = 2 Pm+3 + 3 HCO3-
log_k -3.5636
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm2(CO3)3
# Enthalpy of formation: 0 kcal/mol
Pm2O3
Pm2O3 + 6 H+ = 2 Pm+3 + 3 H2O
log_k 48.8
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm2O3
# Enthalpy of formation: 0 kcal/mol
PmF3:.5H2O
PmF3:.5H2O = 0.5 H2O + Pm+3 + 3 F-
log_k -18.1
-delta_H 0 # Not possible to calculate enthalpy of reaction PmF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
PmPO4:10H2O
PmPO4:10H2O + H+ = HPO4-2 + Pm+3 + 10 H2O
log_k -12.1782
-delta_H 0 # Not possible to calculate enthalpy of reaction PmPO4:10H2O
# Enthalpy of formation: 0 kcal/mol
Polydymite
Ni3S4 + 2 H+ = S2-2 + 2 HS- + 3 Ni+2
log_k -48.9062
-delta_H 0 # Not possible to calculate enthalpy of reaction Polydymite
# Enthalpy of formation: -78.014 kcal/mol
-analytic -1.803e+1 -4.6945e-2 -1.1557e+4 8.8339e+0 -1.9625e+2
# -Range: 0-200
Polyhalite
K2MgCa2(SO4)4:2H2O = Mg+2 + 2 Ca+2 + 2 H2O + 2 K+ + 4 SO4-2
log_k -14.3124
-delta_H 0 # Not possible to calculate enthalpy of reaction Polyhalite
# Enthalpy of formation: 0 kcal/mol
Portlandite
Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O
log_k 22.5552
-delta_H -128.686 kJ/mol # Calculated enthalpy of reaction Portlandite
# Enthalpy of formation: -986.074 kJ/mol
-analytic -8.3848e+1 -1.8373e-2 9.3154e+3 3.2584e+1 1.4538e+2
# -Range: 0-300
Pr
Pr + 3 H+ + 0.75 O2 = Pr+3 + 1.5 H2O
log_k 183.6893
-delta_H -1125.92 kJ/mol # Calculated enthalpy of reaction Pr
# Enthalpy of formation: 0 kJ/mol
-analytic -4.1136e+2 -7.5853e-2 7.9974e+4 1.4718e+2 -1.3148e+6
# -Range: 0-300
Pr(OH)3
Pr(OH)3 + 3 H+ = Pr+3 + 3 H2O
log_k 19.5852
-delta_H 0 # Not possible to calculate enthalpy of reaction Pr(OH)3
# Enthalpy of formation: 0 kcal/mol
Pr(OH)3(am)
Pr(OH)3 + 3 H+ = Pr+3 + 3 H2O
log_k 21.0852
-delta_H 0 # Not possible to calculate enthalpy of reaction Pr(OH)3(am)
# Enthalpy of formation: 0 kcal/mol
Pr2(CO3)3
Pr2(CO3)3 + 3 H+ = 2 Pr+3 + 3 HCO3-
log_k -3.8136
-delta_H 0 # Not possible to calculate enthalpy of reaction Pr2(CO3)3
# Enthalpy of formation: 0 kcal/mol
Pr2O3
Pr2O3 + 6 H+ = 2 Pr+3 + 3 H2O
log_k 61.4
-delta_H 0 # Not possible to calculate enthalpy of reaction Pr2O3
# Enthalpy of formation: 0 kcal/mol
PrF3:.5H2O
PrF3:.5H2O = 0.5 H2O + Pr+3 + 3 F-
log_k -18.7
-delta_H 0 # Not possible to calculate enthalpy of reaction PrF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
PrPO4:10H2O
PrPO4:10H2O + H+ = HPO4-2 + Pr+3 + 10 H2O
log_k -12.2782
-delta_H 0 # Not possible to calculate enthalpy of reaction PrPO4:10H2O
# Enthalpy of formation: 0 kcal/mol
Prehnite
Ca2Al2Si3O10(OH)2 + 10 H+ = 2 Al+3 + 2 Ca+2 + 3 SiO2 + 6 H2O
log_k 32.9305
-delta_H -311.875 kJ/mol # Calculated enthalpy of reaction Prehnite
# Enthalpy of formation: -1481.65 kcal/mol
-analytic -3.5763e+1 -2.1396e-2 2.0167e+4 6.3554e+0 -7.4967e+5
# -Range: 0-300
Przhevalskite
Pb(UO2)2(PO4)2 + 2 H+ = Pb+2 + 2 HPO4-2 + 2 UO2+2
log_k -20.0403
-delta_H -71.1058 kJ/mol # Calculated enthalpy of reaction Przhevalskite
# Enthalpy of formation: -1087.51 kcal/mol
-analytic -2.9817e+1 -4.0756e-2 1.0077e+3 7.4885e+0 1.7122e+1
# -Range: 0-200
Pseudowollastonite
CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2
log_k 13.9997
-delta_H -79.4625 kJ/mol # Calculated enthalpy of reaction Pseudowollastonite
# Enthalpy of formation: -388.9 kcal/mol
-analytic 2.6691e+1 6.3323e-3 5.5723e+3 -1.1822e+1 -3.6038e+5
# -Range: 0-300
Pu
Pu + 4 H+ + O2 = Pu+4 + 2 H2O
log_k 170.3761
-delta_H -1095.44 kJ/mol # Calculated enthalpy of reaction Pu
# Enthalpy of formation: 0 kJ/mol
-analytic -1.9321e+2 -3.4314e-2 6.6737e+4 6.3552e+1 -6.4737e+5
# -Range: 0-300
Pu(HPO4)2
Pu(HPO4)2 = Pu+4 + 2 HPO4-2
log_k -27.7025
-delta_H -33.4449 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)2
# Enthalpy of formation: -3086.61 kJ/mol
-analytic -3.6565e+2 -1.3961e-1 7.9105e+3 1.4265e+2 1.2354e+2
# -Range: 0-300
Pu(OH)3
Pu(OH)3 + 3 H+ = Pu+3 + 3 H2O
log_k 22.4499
-delta_H -148.067 kJ/mol # Calculated enthalpy of reaction Pu(OH)3
# Enthalpy of formation: -1301 kJ/mol
-analytic -6.1342e+1 -8.6952e-3 9.7733e+3 2.1664e+1 1.5252e+2
# -Range: 0-300
Pu(OH)4
Pu(OH)4 + 4 H+ = Pu+4 + 4 H2O
log_k 0.7578
-delta_H -68.6543 kJ/mol # Calculated enthalpy of reaction Pu(OH)4
# Enthalpy of formation: -1610.59 kJ/mol
-analytic -9.3473e+1 -1.0579e-2 6.5974e+3 3.0415e+1 1.0297e+2
# -Range: 0-300
Pu2O3
Pu2O3 + 6 H+ = 2 Pu+3 + 3 H2O
log_k 48.1332
-delta_H -360.26 kJ/mol # Calculated enthalpy of reaction Pu2O3
# Enthalpy of formation: -1680.36 kJ/mol
-analytic -8.7831e+1 -1.9784e-2 2.0832e+4 2.9096e+1 3.2509e+2
# -Range: 0-300
PuF3
PuF3 = Pu+3 + 3 F-
log_k -10.1872
-delta_H -46.2608 kJ/mol # Calculated enthalpy of reaction PuF3
# Enthalpy of formation: -1551.33 kJ/mol
-analytic -3.1104e+2 -1.0854e-1 8.7435e+3 1.2279e+2 1.3653e+2
# -Range: 0-300
PuF4
PuF4 = Pu+4 + 4 F-
log_k -13.2091
-delta_H -100.039 kJ/mol # Calculated enthalpy of reaction PuF4
# Enthalpy of formation: -1777.24 kJ/mol
-analytic -4.3072e+2 -1.45e-1 1.4076e+4 1.6709e+2 2.1977e+2
# -Range: 0-300
PuO2
PuO2 + 4 H+ = Pu+4 + 2 H2O
log_k -7.3646
-delta_H -51.8827 kJ/mol # Calculated enthalpy of reaction PuO2
# Enthalpy of formation: -1055.69 kJ/mol
-analytic -7.1933e+1 -1.1841e-2 4.4494e+3 2.1491e+1 6.945e+1
# -Range: 0-300
PuO2(OH)2
PuO2(OH)2 + 2 H+ = PuO2+2 + 2 H2O
log_k 3.5499
-delta_H -35.7307 kJ/mol # Calculated enthalpy of reaction PuO2(OH)2
# Enthalpy of formation: -1357.52 kJ/mol
-analytic -2.6536e+1 -1.6542e-3 2.8262e+3 8.5277e+0 4.4108e+1
# -Range: 0-300
PuO2HPO4
PuO2HPO4 = HPO4-2 + PuO2+2
log_k -12.6074
-delta_H -10.108 kJ/mol # Calculated enthalpy of reaction PuO2HPO4
# Enthalpy of formation: -2103.55 kJ/mol
-analytic -1.6296e+2 -6.6166e-2 3.0557e+3 6.4577e+1 4.7729e+1
# -Range: 0-300
PuO2OH(am)
PuO2OH + H+ = H2O + PuO2+
log_k 5.4628
-delta_H -42.4933 kJ/mol # Calculated enthalpy of reaction PuO2OH(am)
# Enthalpy of formation: -1157.53 kJ/mol
-analytic -3.1316e+0 6.7573e-3 2.6884e+3 -9.8622e-1 4.1951e+1
# -Range: 0-300
Pyrite
FeS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Fe+2 + 1.75 HS-
log_k -24.6534
-delta_H 109.535 kJ/mol # Calculated enthalpy of reaction Pyrite
# Enthalpy of formation: -41 kcal/mol
-analytic -2.4195e+2 -8.7948e-2 -6.2911e+2 9.9248e+1 -9.7454e+0
# -Range: 0-300
Pyrolusite
MnO2 = 0.5 Mn+2 + 0.5 MnO4-2
log_k -17.6439
-delta_H 83.3804 kJ/mol # Calculated enthalpy of reaction Pyrolusite
# Enthalpy of formation: -520.031 kJ/mol
-analytic -1.1541e+2 -4.1665e-2 -1.896e+3 4.7094e+1 -2.9551e+1
# -Range: 0-300
Pyromorphite
Pb5(PO4)3Cl + 3 H+ = Cl- + 3 HPO4-2 + 5 Pb+2
log_k -47.8954
-delta_H 0 # Not possible to calculate enthalpy of reaction Pyromorphite
# Enthalpy of formation: 0 kcal/mol
Pyromorphite-OH
Pb5(OH)(PO4)3 + 4 H+ = H2O + 3 HPO4-2 + 5 Pb+2
log_k -26.2653
-delta_H 0 # Not possible to calculate enthalpy of reaction Pyromorphite-OH
# Enthalpy of formation: 0 kcal/mol
Pyrophyllite
Al2Si4O10(OH)2 + 6 H+ = 2 Al+3 + 4 H2O + 4 SiO2
log_k 0.4397
-delta_H -102.161 kJ/mol # Calculated enthalpy of reaction Pyrophyllite
# Enthalpy of formation: -1345.31 kcal/mol
-analytic 1.1066e+1 1.2707e-2 1.6417e+4 -1.9596e+1 -1.8791e+6
# -Range: 0-300
Pyrrhotite
FeS + H+ = Fe+2 + HS-
log_k -3.7193
-delta_H -7.9496 kJ/mol # Calculated enthalpy of reaction Pyrrhotite
# Enthalpy of formation: -24 kcal/mol
-analytic -1.5785e+2 -5.2258e-2 3.9711e+3 6.3195e+1 6.2012e+1
# -Range: 0-300
Quartz
SiO2 = SiO2
log_k -3.9993
-delta_H 32.949 kJ/mol # Calculated enthalpy of reaction Quartz
# Enthalpy of formation: -217.65 kcal/mol
-analytic 7.7698e-2 1.0612e-2 3.4651e+3 -4.3551e+0 -7.2138e+5
# -Range: 0-300
Ra
Ra + 2 H+ + 0.5 O2 = H2O + Ra+2
log_k 141.3711
-delta_H -807.374 kJ/mol # Calculated enthalpy of reaction Ra
# Enthalpy of formation: 0 kJ/mol
-analytic 4.9867e+1 5.9412e-3 4.0293e+4 -1.8356e+1 6.8421e+2
# -Range: 0-200
Ra(NO3)2
Ra(NO3)2 = Ra+2 + 2 NO3-
log_k -2.2419
-delta_H 50.4817 kJ/mol # Calculated enthalpy of reaction Ra(NO3)2
# Enthalpy of formation: -991.706 kJ/mol
-analytic 2.2001e+1 -9.5263e-3 -3.9389e+3 -3.3143e+0 -6.6896e+1
# -Range: 0-200
RaCl2:2H2O
RaCl2:2H2O = Ra+2 + 2 Cl- + 2 H2O
log_k -0.7647
-delta_H 32.6266 kJ/mol # Calculated enthalpy of reaction RaCl2:2H2O
# Enthalpy of formation: -1466.07 kJ/mol
-analytic -2.5033e+1 -1.8918e-2 -1.5713e+3 1.4213e+1 -2.6673e+1
# -Range: 0-200
RaSO4
RaSO4 = Ra+2 + SO4-2
log_k -10.4499
-delta_H 40.309 kJ/mol # Calculated enthalpy of reaction RaSO4
# Enthalpy of formation: -1477.51 kJ/mol
-analytic 4.8025e+1 -1.1376e-2 -5.1347e+3 -1.5306e+1 -8.7211e+1
# -Range: 0-200
Rankinite
Ca3Si2O7 + 6 H+ = 2 SiO2 + 3 Ca+2 + 3 H2O
log_k 51.9078
-delta_H -302.089 kJ/mol # Calculated enthalpy of reaction Rankinite
# Enthalpy of formation: -941.7 kcal/mol
-analytic -9.6393e+1 -1.6592e-2 2.4832e+4 3.2541e+1 -9.463e+5
# -Range: 0-300
Rb
Rb + H+ + 0.25 O2 = 0.5 H2O + Rb+
log_k 71.1987
-delta_H -391.009 kJ/mol # Calculated enthalpy of reaction Rb
# Enthalpy of formation: 0 kJ/mol
-analytic -2.1179e+1 -8.7978e-3 2.0934e+4 1.0011e+1 3.2667e+2
# -Range: 0-300
Rb2UO4
Rb2UO4 + 4 H+ = UO2+2 + 2 H2O + 2 Rb+
log_k 34.0089
-delta_H -170.224 kJ/mol # Calculated enthalpy of reaction Rb2UO4
# Enthalpy of formation: -1922.7 kJ/mol
-analytic -3.8205e+1 3.1862e-3 1.0973e+4 1.3925e+1 1.8636e+2
# -Range: 0-200
Re
Re + 1.75 O2 + 0.5 H2O = H+ + ReO4-
log_k 105.9749
-delta_H -623.276 kJ/mol # Calculated enthalpy of reaction Re
# Enthalpy of formation: 0 kJ/mol
-analytic 1.4535e+1 -2.9877e-2 2.991e+4 0e+0 0e+0
# -Range: 0-300
Realgar
AsS + 2 H2O = 0.5 S2O4-2 + AsH3 + H+
log_k -60.2768
-delta_H 0 # Not possible to calculate enthalpy of reaction Realgar
# Enthalpy of formation: -71.406 kJ/mol
Rhodochrosite
MnCO3 + H+ = HCO3- + Mn+2
log_k -0.1928
-delta_H -21.3426 kJ/mol # Calculated enthalpy of reaction Rhodochrosite
# Enthalpy of formation: -212.521 kcal/mol
-analytic -1.6195e+2 -4.9344e-2 5.0937e+3 6.4402e+1 7.9531e+1
# -Range: 0-300
Rhodonite
MnSiO3 + 2 H+ = H2O + Mn+2 + SiO2
log_k 9.7301
-delta_H -64.7121 kJ/mol # Calculated enthalpy of reaction Rhodonite
# Enthalpy of formation: -1319.42 kJ/mol
-analytic 2.0585e+1 4.9941e-3 4.5816e+3 -9.8212e+0 -3.0658e+5
# -Range: 0-300
Ripidolite-14A
Mg3Fe2Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O
log_k 60.9638
-delta_H -572.472 kJ/mol # Calculated enthalpy of reaction Ripidolite-14A
# Enthalpy of formation: -1947.87 kcal/mol
-analytic -1.8376e+2 -6.1934e-2 3.2458e+4 6.229e+1 5.0653e+2
# -Range: 0-300
Ripidolite-7A
Mg3Fe2Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O
log_k 64.3371
-delta_H -586.325 kJ/mol # Calculated enthalpy of reaction Ripidolite-7A
# Enthalpy of formation: -1944.56 kcal/mol
-analytic -1.9557e+2 -6.3779e-2 3.3634e+4 6.7057e+1 5.2489e+2
# -Range: 0-300
Romarchite
SnO + 2 H+ = H2O + Sn+2
log_k 1.3625
-delta_H -8.69017 kJ/mol # Calculated enthalpy of reaction Romarchite
# Enthalpy of formation: -68.34 kcal/mol
-analytic -6.3187e+1 -1.5821e-2 2.2786e+3 2.49e+1 3.5574e+1
# -Range: 0-300
Ru
Ru + 2 H+ + 0.5 O2 = H2O + Ru+2
log_k 16.6701
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru
# Enthalpy of formation: 0 kJ/mol
Ru(OH)3:H2O(am)
Ru(OH)3:H2O + 3 H+ = Ru+3 + 4 H2O
log_k 1.6338
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)3:H2O(am)
# Enthalpy of formation: 0 kcal/mol
RuBr3
RuBr3 = Ru+3 + 3 Br-
log_k 3.1479
-delta_H 0 # Not possible to calculate enthalpy of reaction RuBr3
# Enthalpy of formation: -147.76 kJ/mol
RuCl3
RuCl3 = Ru+3 + 3 Cl-
log_k 10.8215
-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl3
# Enthalpy of formation: -221.291 kJ/mol
RuI3
RuI3 = Ru+3 + 3 I-
log_k -12.4614
-delta_H 0 # Not possible to calculate enthalpy of reaction RuI3
# Enthalpy of formation: -58.425 kJ/mol
RuO2
RuO2 + 2 H+ = Ru(OH)2+2
log_k -5.4835
-delta_H 0 # Not possible to calculate enthalpy of reaction RuO2
# Enthalpy of formation: -307.233 kJ/mol
RuO2:2H2O(am)
RuO2:2H2O + 2 H+ = Ru(OH)2+2 + 2 H2O
log_k 0.9045
-delta_H 0 # Not possible to calculate enthalpy of reaction RuO2:2H2O(am)
# Enthalpy of formation: 0 kcal/mol
RuO4
RuO4 = RuO4
log_k -0.9636
-delta_H 6.305 kJ/mol # Calculated enthalpy of reaction RuO4
# Enthalpy of formation: -244.447 kJ/mol
RuSe2
RuSe2 + 2 H2O = Ru(OH)2+2 + 2 H+ + 2 Se-2
log_k -113.7236
-delta_H 0 # Not possible to calculate enthalpy of reaction RuSe2
# Enthalpy of formation: -146.274 kJ/mol
Rutherfordine
UO2CO3 + H+ = HCO3- + UO2+2
log_k -4.1064
-delta_H -19.4032 kJ/mol # Calculated enthalpy of reaction Rutherfordine
# Enthalpy of formation: -1689.53 kJ/mol
-analytic -8.8224e+1 -3.1434e-2 2.6675e+3 3.4161e+1 4.165e+1
# -Range: 0-300
Rutile
TiO2 + 2 H2O = Ti(OH)4
log_k -9.6452
-delta_H 0 # Not possible to calculate enthalpy of reaction Rutile
# Enthalpy of formation: -226.107 kcal/mol
S
S + H2O = 0.5 O2 + H+ + HS-
log_k -45.098
-delta_H 263.663 kJ/mol # Calculated enthalpy of reaction S
# Enthalpy of formation: 0 kJ/mol
-analytic -8.8928e+1 -2.8454e-2 -1.1516e+4 3.6747e+1 -1.7966e+2
# -Range: 0-300
Safflorite
CoAs2 + 2 H2O + H+ + 0.5 O2 = AsH3 + Co+2 + H2AsO3-
log_k -3.6419
-delta_H -52.7226 kJ/mol # Calculated enthalpy of reaction Safflorite
# Enthalpy of formation: -23.087 kcal/mol
Saleeite
Mg(UO2)2(PO4)2 + 2 H+ = Mg+2 + 2 HPO4-2 + 2 UO2+2
log_k -19.4575
-delta_H -110.816 kJ/mol # Calculated enthalpy of reaction Saleeite
# Enthalpy of formation: -1189.61 kcal/mol
-analytic -6.0028e+1 -4.4391e-2 3.9168e+3 1.6428e+1 6.6533e+1
# -Range: 0-200
Sanbornite
BaSi2O5 + 2 H+ = Ba+2 + H2O + 2 SiO2
log_k 9.4753
-delta_H -31.0845 kJ/mol # Calculated enthalpy of reaction Sanbornite
# Enthalpy of formation: -2547.8 kJ/mol
-analytic -2.5381e+1 1.2999e-2 1.233e+4 2.1053e+0 -1.3913e+6
# -Range: 0-300
Sanidine_high
KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
log_k 0.9239
-delta_H -35.0284 kJ/mol # Calculated enthalpy of reaction Sanidine_high
# Enthalpy of formation: -946.538 kcal/mol
-analytic -3.4889e+0 1.4495e-2 1.2856e+4 -9.8978e+0 -1.6572e+6
# -Range: 0-300
Saponite-Ca
Ca.165Mg3Al.33Si3.67O10(OH)2 + 7.32 H+ = 0.165 Ca+2 + 0.33 Al+3 + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O
log_k 26.29
-delta_H -207.971 kJ/mol # Calculated enthalpy of reaction Saponite-Ca
# Enthalpy of formation: -1436.51 kcal/mol
-analytic -4.6904e+1 6.2555e-3 2.2572e+4 5.3198e+0 -1.5725e+6
# -Range: 0-300
Saponite-Cs
Cs.33Si3.67Al.33Mg3O10(OH)2 + 7.32 H+ = 0.33 Al+3 + 0.33 Cs+ + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O
log_k 25.8528
-delta_H -195.407 kJ/mol # Calculated enthalpy of reaction Saponite-Cs
# Enthalpy of formation: -1438.44 kcal/mol
-analytic -7.7732e+1 -3.6418e-5 2.3346e+4 1.7578e+1 -1.6319e+6
# -Range: 0-300
Saponite-H
H.33Mg3Al.33Si3.67O10(OH)2 + 6.99 H+ = 0.33 Al+3 + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O
log_k 25.3321
-delta_H -200.235 kJ/mol # Calculated enthalpy of reaction Saponite-H
# Enthalpy of formation: -1416.94 kcal/mol
-analytic -3.9828e+1 8.9566e-3 2.2165e+4 2.3941e+0 -1.5933e+6
# -Range: 0-300
Saponite-K
K.33Mg3Al.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 Al+3 + 0.33 K+ + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O
log_k 26.0075
-delta_H -196.402 kJ/mol # Calculated enthalpy of reaction Saponite-K
# Enthalpy of formation: -1437.74 kcal/mol
-analytic 3.2113e+1 1.8392e-2 1.7918e+4 -2.2874e+1 -1.3542e+6
# -Range: 0-300
Saponite-Mg
Mg3.165Al.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 Al+3 + 3.165 Mg+2 + 3.67 SiO2 + 4.66 H2O
log_k 26.2523
-delta_H -210.822 kJ/mol # Calculated enthalpy of reaction Saponite-Mg
# Enthalpy of formation: -1432.79 kcal/mol
-analytic 9.8888e+0 1.432e-2 1.9418e+4 -1.5259e+1 -1.3716e+6
# -Range: 0-300
Saponite-Na
Na.33Mg3Al.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 Al+3 + 0.33 Na+ + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O
log_k 26.3459
-delta_H -201.401 kJ/mol # Calculated enthalpy of reaction Saponite-Na
# Enthalpy of formation: -1435.61 kcal/mol
-analytic -6.7611e+1 4.7327e-3 2.3586e+4 1.2868e+1 -1.6493e+6
# -Range: 0-300
Sb
Sb + 1.5 H2O + 0.75 O2 = Sb(OH)3
log_k 52.7918
-delta_H -335.931 kJ/mol # Calculated enthalpy of reaction Sb
# Enthalpy of formation: 0 kJ/mol
Sb(OH)3
Sb(OH)3 = Sb(OH)3
log_k -7.0953
-delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)3
# Enthalpy of formation: 0 kcal/mol
Sb2O3
Sb2O3 + 3 H2O = 2 Sb(OH)3
log_k -8.96
-delta_H 0 # Not possible to calculate enthalpy of reaction Sb2O3
# Enthalpy of formation: 0 kcal/mol
-analytic 2.3982e+0 -7.6326e-5 -3.3787e+3 0e+0 0e+0
# -Range: 0-300
Sb2O4
Sb2O4 + 3 H2O = 0.5 O2 + 2 Sb(OH)3
log_k -39.6139
-delta_H 211.121 kJ/mol # Calculated enthalpy of reaction Sb2O4
# Enthalpy of formation: -907.251 kJ/mol
Sb2O5
Sb2O5 + 3 H2O = O2 + 2 Sb(OH)3
log_k -46.932
-delta_H 269.763 kJ/mol # Calculated enthalpy of reaction Sb2O5
# Enthalpy of formation: -971.96 kJ/mol
Sb4O6(cubic)
Sb4O6 + 6 H2O = 4 Sb(OH)3
log_k -19.6896
-delta_H 59.898 kJ/mol # Calculated enthalpy of reaction Sb4O6(cubic)
# Enthalpy of formation: -1440.02 kJ/mol
Sb4O6(orthorhombic)
Sb4O6 + 6 H2O = 4 Sb(OH)3
log_k -17.0442
-delta_H 37.314 kJ/mol # Calculated enthalpy of reaction Sb4O6(orthorhombic)
# Enthalpy of formation: -1417.44 kJ/mol
SbBr3
SbBr3 + 3 H2O = Sb(OH)3 + 3 Br- + 3 H+
log_k 1.0554
-delta_H -21.5871 kJ/mol # Calculated enthalpy of reaction SbBr3
# Enthalpy of formation: -259.197 kJ/mol
SbCl3
SbCl3 + 3 H2O = Sb(OH)3 + 3 Cl- + 3 H+
log_k 0.5878
-delta_H -35.393 kJ/mol # Calculated enthalpy of reaction SbCl3
# Enthalpy of formation: -382.12 kJ/mol
Sc
Sc + 3 H+ + 0.75 O2 = Sc+3 + 1.5 H2O
log_k 167.27
-delta_H -1033.87 kJ/mol # Calculated enthalpy of reaction Sc
# Enthalpy of formation: 0 kJ/mol
-analytic -6.6922e+1 -2.915e-2 5.4559e+4 2.4189e+1 8.5137e+2
# -Range: 0-300
Scacchite
MnCl2 = Mn+2 + 2 Cl-
log_k 8.7785
-delta_H -73.4546 kJ/mol # Calculated enthalpy of reaction Scacchite
# Enthalpy of formation: -481.302 kJ/mol
-analytic -2.3476e+2 -8.2437e-2 9.0088e+3 9.6128e+1 1.4064e+2
# -Range: 0-300
Schoepite
UO3:2H2O + 2 H+ = UO2+2 + 3 H2O
log_k 4.8333
-delta_H -50.415 kJ/mol # Calculated enthalpy of reaction Schoepite
# Enthalpy of formation: -1826.1 kJ/mol
-analytic 1.3645e+1 1.0884e-2 2.5412e+3 -8.3167e+0 3.9649e+1
# -Range: 0-300
Schoepite-dehy(.393)
UO3:.393H2O + 2 H+ = UO2+2 + 1.393 H2O
log_k 6.7243
-delta_H -69.2728 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.393)
# Enthalpy of formation: -1347.9 kJ/mol
-analytic -5.6487e+1 -3.0358e-3 5.7044e+3 1.8179e+1 9.6887e+1
# -Range: 0-200
Schoepite-dehy(.648)
UO3:.648H2O + 2 H+ = UO2+2 + 1.648 H2O
log_k 6.2063
-delta_H -65.4616 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.648)
# Enthalpy of formation: -1424.6 kJ/mol
-analytic -6.301e+1 -3.0276e-3 5.8033e+3 2.0471e+1 9.8569e+1
# -Range: 0-200
Schoepite-dehy(.85)
UO3:.85H2O + 2 H+ = UO2+2 + 1.85 H2O
log_k 5.097
-delta_H -56.4009 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.85)
# Enthalpy of formation: -1491.4 kJ/mol
-analytic -6.7912e+1 -3.042e-3 5.569e+3 2.2323e+1 9.4593e+1
# -Range: 0-200
Schoepite-dehy(.9)
UO3:.9H2O + 2 H+ = UO2+2 + 1.9 H2O
log_k 5.0167
-delta_H -55.7928 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.9)
# Enthalpy of formation: -1506.3 kJ/mol
-analytic -1.5998e+1 -2.0144e-3 3.291e+3 4.2751e+0 5.1358e+1
# -Range: 0-300
Schoepite-dehy(1.0)
UO3:H2O + 2 H+ = UO2+2 + 2 H2O
log_k 5.1031
-delta_H -57.4767 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(1.0)
# Enthalpy of formation: -1533.2 kJ/mol
-analytic -7.208e+1 -3.0503e-3 5.8024e+3 2.3695e+1 9.8557e+1
# -Range: 0-200
Scolecite
CaAl2Si3O10:3H2O + 8 H+ = Ca+2 + 2 Al+3 + 3 SiO2 + 7 H2O
log_k 15.8767
-delta_H -204.93 kJ/mol # Calculated enthalpy of reaction Scolecite
# Enthalpy of formation: -6048.92 kJ/mol
-analytic 5.0656e+1 -3.1485e-3 1.0574e+4 -2.5663e+1 -5.2769e+5
# -Range: 0-300
Se
Se + H2O + O2 = SeO3-2 + 2 H+
log_k 26.1436
-delta_H -211.221 kJ/mol # Calculated enthalpy of reaction Se
# Enthalpy of formation: 0 kJ/mol
-analytic -9.5144e+1 -6.5681e-2 1.0736e+4 4.2358e+1 1.6755e+2
# -Range: 0-300
Se2O5
Se2O5 + 2 H2O = SeO3-2 + SeO4-2 + 4 H+
log_k 9.5047
-delta_H -123.286 kJ/mol # Calculated enthalpy of reaction Se2O5
# Enthalpy of formation: -98.8 kcal/mol
-analytic 1.1013e+2 -2.4491e-2 -5.6147e+2 -3.696e+1 -9.5719e+0
# -Range: 0-200
SeCl4
SeCl4 + 3 H2O = SeO3-2 + 4 Cl- + 6 H+
log_k 14.4361
-delta_H -131.298 kJ/mol # Calculated enthalpy of reaction SeCl4
# Enthalpy of formation: -45.1 kcal/mol
-analytic -4.0215e+2 -1.8323e-1 1.3074e+4 1.7267e+2 2.0413e+2
# -Range: 0-300
SeO3
SeO3 + H2O = SeO4-2 + 2 H+
log_k 19.2015
-delta_H -143.022 kJ/mol # Calculated enthalpy of reaction SeO3
# Enthalpy of formation: -40.7 kcal/mol
-analytic -1.4199e+2 -6.4398e-2 9.5505e+3 5.9941e+1 1.4907e+2
# -Range: 0-300
Sellaite
MgF2 = Mg+2 + 2 F-
log_k -9.3843
-delta_H -12.4547 kJ/mol # Calculated enthalpy of reaction Sellaite
# Enthalpy of formation: -1124.2 kJ/mol
-analytic -2.6901e+2 -8.5487e-2 6.8237e+3 1.0595e+2 1.0656e+2
# -Range: 0-300
Sepiolite
Mg4Si6O15(OH)2:6H2O + 8 H+ = 4 Mg+2 + 6 SiO2 + 11 H2O
log_k 30.4439
-delta_H -157.339 kJ/mol # Calculated enthalpy of reaction Sepiolite
# Enthalpy of formation: -2418 kcal/mol
-analytic 1.869e+1 4.7544e-2 2.6765e+4 -2.5301e+1 -2.6498e+6
# -Range: 0-300
Shcherbinaite
V2O5 + 2 H+ = H2O + 2 VO2+
log_k -1.452
-delta_H -34.7917 kJ/mol # Calculated enthalpy of reaction Shcherbinaite
# Enthalpy of formation: -1550.6 kJ/mol
-analytic -1.4791e+2 -2.2464e-2 6.6865e+3 5.2832e+1 1.0438e+2
# -Range: 0-300
Si
Si + O2 = SiO2
log_k 148.9059
-delta_H -865.565 kJ/mol # Calculated enthalpy of reaction Si
# Enthalpy of formation: 0 kJ/mol
-analytic -5.7245e+2 -7.6302e-2 8.3516e+4 2.0045e+2 -2.8494e+6
# -Range: 0-300
SiO2(am)
SiO2 = SiO2
log_k -2.7136
-delta_H 20.0539 kJ/mol # Calculated enthalpy of reaction SiO2(am)
# Enthalpy of formation: -214.568 kcal/mol
-analytic 1.2109e+0 7.0767e-3 2.3634e+3 -3.4449e+0 -4.8591e+5
# -Range: 0-300
Siderite
FeCO3 + H+ = Fe+2 + HCO3-
log_k -0.192
-delta_H -32.5306 kJ/mol # Calculated enthalpy of reaction Siderite
# Enthalpy of formation: -179.173 kcal/mol
-analytic -1.599e+2 -4.9361e-2 5.4947e+3 6.3032e+1 8.5787e+1
# -Range: 0-300
Sillimanite
Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
log_k 16.308
-delta_H -238.442 kJ/mol # Calculated enthalpy of reaction Sillimanite
# Enthalpy of formation: -615.099 kcal/mol
-analytic -7.161e+1 -3.2196e-2 1.2493e+4 2.2449e+1 1.9496e+2
# -Range: 0-300
Sklodowskite
Mg(H3O)2(UO2)2(SiO4)2:4H2O + 6 H+ = Mg+2 + 2 SiO2 + 2 UO2+2 + 10 H2O
log_k 13.7915
-delta_H 0 # Not possible to calculate enthalpy of reaction Sklodowskite
# Enthalpy of formation: 0 kcal/mol
Sm
Sm + 2 H+ + 0.5 O2 = H2O + Sm+2
log_k 133.1614
-delta_H -783.944 kJ/mol # Calculated enthalpy of reaction Sm
# Enthalpy of formation: 0 kJ/mol
-analytic -7.1599e+1 -2.0083e-2 4.2693e+4 2.7291e+1 6.6621e+2
# -Range: 0-300
Sm(OH)3
Sm(OH)3 + 3 H+ = Sm+3 + 3 H2O
log_k 16.4852
-delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)3
# Enthalpy of formation: 0 kcal/mol
Sm(OH)3(am)
Sm(OH)3 + 3 H+ = Sm+3 + 3 H2O
log_k 18.5852
-delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)3(am)
# Enthalpy of formation: 0 kcal/mol
Sm2(CO3)3
Sm2(CO3)3 + 3 H+ = 2 Sm+3 + 3 HCO3-
log_k -3.5136
-delta_H 0 # Not possible to calculate enthalpy of reaction Sm2(CO3)3
# Enthalpy of formation: 0 kcal/mol
Sm2(SO4)3
Sm2(SO4)3 = 2 Sm+3 + 3 SO4-2
log_k -9.8
-delta_H 0 # Not possible to calculate enthalpy of reaction Sm2(SO4)3
# Enthalpy of formation: 0 kcal/mol
Sm2O3
Sm2O3 + 6 H+ = 2 Sm+3 + 3 H2O
log_k 42.9
-delta_H 0 # Not possible to calculate enthalpy of reaction Sm2O3
# Enthalpy of formation: 0 kcal/mol
SmF3:.5H2O
SmF3:.5H2O = 0.5 H2O + Sm+3 + 3 F-
log_k -17.5
-delta_H 0 # Not possible to calculate enthalpy of reaction SmF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
SmPO4:10H2O
SmPO4:10H2O + H+ = HPO4-2 + Sm+3 + 10 H2O
log_k -12.1782
-delta_H 0 # Not possible to calculate enthalpy of reaction SmPO4:10H2O
# Enthalpy of formation: 0 kcal/mol
Smectite-high-Fe-Mg
# Ca.025Na.1K.2Fe++.5Fe+++.2Mg1.15Al1.25Si3.5H2O12 +8.0000 H+ = + 0.0250 Ca++ + 0.1000 Na+ + 0.2000 Fe+++ + 0.2000 K+ + 0.5000 Fe++ + 1.1500 Mg++ + 1.2500 Al+++ + 3.5000 SiO2 + 5.0000 H2O
Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12 + 8 H+ = 0.025 Ca+2 + 0.1 Na+ + 0.2 Fe+3 + 0.2 K+ + 0.5 Fe+2 + 1.15 Mg+2 + 1.25 Al+3 + 3.5 SiO2 + 5 H2O
log_k 17.42
-delta_H -199.841 kJ/mol # Calculated enthalpy of reaction Smectite-high-Fe-Mg
# Enthalpy of formation: -1351.39 kcal/mol
-analytic -9.6102e+0 1.2551e-3 1.8157e+4 -7.9862e+0 -1.3005e+6
# -Range: 0-300
Smectite-low-Fe-Mg
# Ca.02Na.15K.2Fe++.29Fe+++.16Mg.9Al1.25Si3.75H2O1 +7.0000 H+ = + 0.0200 Ca++ + 0.1500 Na+ + 0.1600 Fe+++ + 0.2000 K+ + 0.2900 Fe++ + 0.9000 Mg++ + 1.2500 Al+++ + 3.7500 SiO2 + 4.5000 H2O
Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12 + 7 H+ = 0.02 Ca+2 + 0.15 Na+ + 0.16 Fe+3 + 0.2 K+ + 0.29 Fe+2 + 0.9 Mg+2 + 1.25 Al+3 + 3.75 SiO2 + 4.5 H2O
log_k 11.0405
-delta_H -144.774 kJ/mol # Calculated enthalpy of reaction Smectite-low-Fe-Mg
# Enthalpy of formation: -1352.12 kcal/mol
-analytic -1.7003e+1 6.9848e-3 1.8359e+4 -6.8896e+0 -1.6637e+6
# -Range: 0-300
Smithsonite
ZnCO3 + H+ = HCO3- + Zn+2
log_k 0.4633
-delta_H -30.5348 kJ/mol # Calculated enthalpy of reaction Smithsonite
# Enthalpy of formation: -194.26 kcal/mol
-analytic -1.6452e+2 -5.0231e-2 5.5925e+3 6.5139e+1 8.7314e+1
# -Range: 0-300
Sn
Sn + 2 H+ + 0.5 O2 = H2O + Sn+2
log_k 47.8615
-delta_H -288.558 kJ/mol # Calculated enthalpy of reaction Sn
# Enthalpy of formation: 0 kcal/mol
-analytic -1.3075e+2 -3.3807e-2 1.9548e+4 5.0382e+1 -1.3868e+5
# -Range: 0-300
Sn(OH)2
Sn(OH)2 + 2 H+ = Sn+2 + 2 H2O
log_k 1.84
-delta_H -19.6891 kJ/mol # Calculated enthalpy of reaction Sn(OH)2
# Enthalpy of formation: -560.774 kJ/mol
-analytic -6.1677e+1 -5.3258e-3 3.3656e+3 2.1748e+1 5.7174e+1
# -Range: 0-200
Sn(SO4)2
Sn(SO4)2 = Sn+4 + 2 SO4-2
log_k 16.0365
-delta_H -159.707 kJ/mol # Calculated enthalpy of reaction Sn(SO4)2
# Enthalpy of formation: -389.4 kcal/mol
-analytic 1.7787e+1 -5.1758e-2 3.7671e+3 4.1861e-1 6.3965e+1
# -Range: 0-200
Sn3S4
Sn3S4 + 4 H+ = Sn+4 + 2 Sn+2 + 4 HS-
log_k -61.979
-delta_H 318.524 kJ/mol # Calculated enthalpy of reaction Sn3S4
# Enthalpy of formation: -88.5 kcal/mol
-analytic -8.1325e+1 -7.4589e-2 -1.7953e+4 4.1138e+1 -3.0484e+2
# -Range: 0-200
SnBr2
SnBr2 = Sn+2 + 2 Br-
log_k -1.4369
-delta_H 8.24248 kJ/mol # Calculated enthalpy of reaction SnBr2
# Enthalpy of formation: -62.15 kcal/mol
-analytic 2.5384e+1 -1.735e-2 -2.6653e+3 -5.14e+0 -4.5269e+1
# -Range: 0-200
SnBr4
SnBr4 = Sn+4 + 4 Br-
log_k 11.1272
-delta_H -78.3763 kJ/mol # Calculated enthalpy of reaction SnBr4
# Enthalpy of formation: -377.391 kJ/mol
-analytic 1.3516e+1 -5.5193e-2 -8.1888e+1 5.7935e+0 -1.394e+0
# -Range: 0-200
SnCl2
SnCl2 = Sn+2 + 2 Cl-
log_k 0.3225
-delta_H -11.9913 kJ/mol # Calculated enthalpy of reaction SnCl2
# Enthalpy of formation: -79.1 kcal/mol
-analytic 7.9717e+0 -2.1475e-2 -1.1676e+3 1.0749e+0 -1.9829e+1
# -Range: 0-200
SnSO4
SnSO4 = SO4-2 + Sn+2
log_k -23.9293
-delta_H 96.232 kJ/mol # Calculated enthalpy of reaction SnSO4
# Enthalpy of formation: -242.5 kcal/mol
-analytic 3.0046e+1 -1.4238e-2 -7.5915e+3 -9.8122e+0 -1.2892e+2
# -Range: 0-200
SnSe
SnSe = Se-2 + Sn+2
log_k -32.9506
-delta_H 0 # Not possible to calculate enthalpy of reaction SnSe
# Enthalpy of formation: -21.2 kcal/mol
-analytic 4.2342e+0 9.5462e-4 -8.0009e+3 -4.2997e+0 -1.3587e+2
# -Range: 0-200
SnSe2
SnSe2 = Sn+4 + 2 Se-2
log_k -66.657
-delta_H 0 # Not possible to calculate enthalpy of reaction SnSe2
# Enthalpy of formation: -29.8 kcal/mol
-analytic -3.6819e+1 -2.0966e-2 -1.5197e+4 1.107e+1 -2.5806e+2
# -Range: 0-200
Soddyite
(UO2)2SiO4:2H2O + 4 H+ = SiO2 + 2 UO2+2 + 4 H2O
log_k 0.392
-delta_H 0 # Not possible to calculate enthalpy of reaction Soddyite
# Enthalpy of formation: 0 kcal/mol
Sphaerocobaltite
CoCO3 + H+ = Co+2 + HCO3-
log_k -0.2331
-delta_H -30.7064 kJ/mol # Calculated enthalpy of reaction Sphaerocobaltite
# Enthalpy of formation: -171.459 kcal/mol
-analytic -1.5709e+2 -4.8957e-2 5.3158e+3 6.2075e+1 8.2995e+1
# -Range: 0-300
Sphalerite
ZnS + H+ = HS- + Zn+2
log_k -11.44
-delta_H 35.5222 kJ/mol # Calculated enthalpy of reaction Sphalerite
# Enthalpy of formation: -49 kcal/mol
-analytic -1.5497e+2 -4.8953e-2 1.785e+3 6.1472e+1 2.7899e+1
# -Range: 0-300
Spinel
Al2MgO4 + 8 H+ = Mg+2 + 2 Al+3 + 4 H2O
log_k 37.6295
-delta_H -398.108 kJ/mol # Calculated enthalpy of reaction Spinel
# Enthalpy of formation: -546.847 kcal/mol
-analytic -3.3895e+2 -8.3595e-2 2.9251e+4 1.226e+2 4.5654e+2
# -Range: 0-300
Spinel-Co
Co3O4 + 8 H+ = Co+2 + 2 Co+3 + 4 H2O
log_k -6.4852
-delta_H -126.415 kJ/mol # Calculated enthalpy of reaction Spinel-Co
# Enthalpy of formation: -891 kJ/mol
-analytic -3.2239e+2 -8.0782e-2 1.4635e+4 1.1755e+2 2.2846e+2
# -Range: 0-300
Spodumene
LiAlSi2O6 + 4 H+ = Al+3 + Li+ + 2 H2O + 2 SiO2
log_k 6.9972
-delta_H -89.1817 kJ/mol # Calculated enthalpy of reaction Spodumene
# Enthalpy of formation: -3054.75 kJ/mol
-analytic -9.8111e+0 2.1191e-3 9.692e+3 -3.0484e+0 -7.8822e+5
# -Range: 0-300
Sr
Sr + 2 H+ + 0.5 O2 = H2O + Sr+2
log_k 141.7816
-delta_H -830.679 kJ/mol # Calculated enthalpy of reaction Sr
# Enthalpy of formation: 0 kJ/mol
-analytic -1.6271e+2 -3.1212e-2 5.152e+4 5.9178e+1 -4.839e+5
# -Range: 0-300
Sr(NO3)2
Sr(NO3)2 = Sr+2 + 2 NO3-
log_k 1.1493
-delta_H 13.7818 kJ/mol # Calculated enthalpy of reaction Sr(NO3)2
# Enthalpy of formation: -978.311 kJ/mol
-analytic 2.8914e+0 -1.2487e-2 -1.4872e+3 2.8124e+0 -2.5256e+1
# -Range: 0-200
Sr(NO3)2:4H2O
Sr(NO3)2:4H2O = Sr+2 + 2 NO3- + 4 H2O
log_k 0.6976
-delta_H 47.9045 kJ/mol # Calculated enthalpy of reaction Sr(NO3)2:4H2O
# Enthalpy of formation: -2155.79 kJ/mol
-analytic -8.4518e+1 -9.1155e-3 1.0856e+3 3.4061e+1 1.8464e+1
# -Range: 0-200
Sr(OH)2
Sr(OH)2 + 2 H+ = Sr+2 + 2 H2O
log_k 27.5229
-delta_H -153.692 kJ/mol # Calculated enthalpy of reaction Sr(OH)2
# Enthalpy of formation: -968.892 kJ/mol
-analytic -5.1871e+1 -2.9123e-3 1.0175e+4 1.8643e+1 1.728e+2
# -Range: 0-200
Sr2SiO4
Sr2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Sr+2
log_k 42.8076
-delta_H -244.583 kJ/mol # Calculated enthalpy of reaction Sr2SiO4
# Enthalpy of formation: -2306.61 kJ/mol
-analytic 3.0319e+1 2.0204e-3 1.2729e+4 -1.1584e+1 -1.948e+5
# -Range: 0-300
Sr3(AsO4)2
Sr3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Sr+2
log_k 20.6256
-delta_H -152.354 kJ/mol # Calculated enthalpy of reaction Sr3(AsO4)2
# Enthalpy of formation: -3319.49 kJ/mol
-analytic -8.4749e+1 -2.9367e-2 9.5849e+3 3.3126e+1 1.6279e+2
# -Range: 0-200
SrBr2
SrBr2 = Sr+2 + 2 Br-
log_k 13.1128
-delta_H -75.106 kJ/mol # Calculated enthalpy of reaction SrBr2
# Enthalpy of formation: -718.808 kJ/mol
-analytic -1.8512e+2 -7.2423e-2 7.6861e+3 7.8401e+1 1.1999e+2
# -Range: 0-300
SrBr2:6H2O
SrBr2:6H2O = Sr+2 + 2 Br- + 6 H2O
log_k 3.6678
-delta_H 23.367 kJ/mol # Calculated enthalpy of reaction SrBr2:6H2O
# Enthalpy of formation: -2532.31 kJ/mol
-analytic -2.247e+2 -6.792e-2 4.9432e+3 9.3758e+1 7.72e+1
# -Range: 0-300
SrBr2:H2O
SrBr2:H2O = H2O + Sr+2 + 2 Br-
log_k 9.6057
-delta_H -47.5853 kJ/mol # Calculated enthalpy of reaction SrBr2:H2O
# Enthalpy of formation: -1032.17 kJ/mol
-analytic -1.9103e+2 -7.1402e-2 6.6358e+3 8.0673e+1 1.036e+2
# -Range: 0-300
SrCl2
SrCl2 = Sr+2 + 2 Cl-
log_k 7.9389
-delta_H -55.0906 kJ/mol # Calculated enthalpy of reaction SrCl2
# Enthalpy of formation: -829.976 kJ/mol
-analytic -2.0097e+2 -7.6193e-2 7.0396e+3 8.405e+1 1.0991e+2
# -Range: 0-300
SrCl2:2H2O
SrCl2:2H2O = Sr+2 + 2 Cl- + 2 H2O
log_k 3.3248
-delta_H -17.7313 kJ/mol # Calculated enthalpy of reaction SrCl2:2H2O
# Enthalpy of formation: -1439.01 kJ/mol
-analytic -2.1551e+2 -7.4349e-2 5.94e+3 8.933e+1 9.2752e+1
# -Range: 0-300
SrCl2:6H2O
SrCl2:6H2O = Sr+2 + 2 Cl- + 6 H2O
log_k 1.5038
-delta_H 24.6964 kJ/mol # Calculated enthalpy of reaction SrCl2:6H2O
# Enthalpy of formation: -2624.79 kJ/mol
-analytic -1.3225e+2 -1.826e-2 3.7077e+3 5.1224e+1 6.3008e+1
# -Range: 0-200
SrCl2:H2O
SrCl2:H2O = H2O + Sr+2 + 2 Cl-
log_k 4.7822
-delta_H -33.223 kJ/mol # Calculated enthalpy of reaction SrCl2:H2O
# Enthalpy of formation: -1137.68 kJ/mol
-analytic -2.1825e+2 -7.7851e-2 6.5957e+3 9.0555e+1 1.0298e+2
# -Range: 0-300
SrCrO4
SrCrO4 = CrO4-2 + Sr+2
log_k -3.8849
-delta_H -1.73636 kJ/mol # Calculated enthalpy of reaction SrCrO4
# Enthalpy of formation: -341.855 kcal/mol
-analytic 2.3424e+1 -1.5589e-2 -2.1393e+3 -6.2628e+0 -3.6337e+1
# -Range: 0-200
SrF2
SrF2 = Sr+2 + 2 F-
log_k -8.54
-delta_H 0 # Not possible to calculate enthalpy of reaction SrF2
# Enthalpy of formation: 0 kcal/mol
SrHPO4
SrHPO4 = HPO4-2 + Sr+2
log_k -6.2416
-delta_H -19.7942 kJ/mol # Calculated enthalpy of reaction SrHPO4
# Enthalpy of formation: -1823.19 kJ/mol
-analytic 5.4057e+0 -1.8533e-2 -8.2021e+2 -1.3667e+0 -1.393e+1
# -Range: 0-200
SrI2
SrI2 = Sr+2 + 2 I-
log_k 19.2678
-delta_H -103.218 kJ/mol # Calculated enthalpy of reaction SrI2
# Enthalpy of formation: -561.494 kJ/mol
-analytic -1.8168e+2 -7.2083e-2 9.0759e+3 7.7577e+1 1.4167e+2
# -Range: 0-300
SrO
SrO + 2 H+ = H2O + Sr+2
log_k 41.8916
-delta_H -243.875 kJ/mol # Calculated enthalpy of reaction SrO
# Enthalpy of formation: -592.871 kJ/mol
-analytic -5.8463e+1 -1.424e-2 1.4417e+4 2.2725e+1 2.2499e+2
# -Range: 0-300
SrS
SrS + H+ = HS- + Sr+2
log_k 14.7284
-delta_H -93.3857 kJ/mol # Calculated enthalpy of reaction SrS
# Enthalpy of formation: -473.63 kJ/mol
-analytic -1.3048e+2 -4.4837e-2 7.8429e+3 5.3442e+1 1.2242e+2
# -Range: 0-300
SrSeO4
SrSeO4 = SeO4-2 + Sr+2
log_k -4.4
-delta_H 0 # Not possible to calculate enthalpy of reaction SrSeO4
# Enthalpy of formation: 0 kcal/mol
SrSiO3
SrSiO3 + 2 H+ = H2O + SiO2 + Sr+2
log_k 14.8438
-delta_H -79.6112 kJ/mol # Calculated enthalpy of reaction SrSiO3
# Enthalpy of formation: -1634.83 kJ/mol
-analytic 2.2592e+1 6.0821e-3 5.9982e+3 -1.0213e+1 -3.9529e+5
# -Range: 0-300
SrUO4(alpha)
SrUO4 + 4 H+ = Sr+2 + UO2+2 + 2 H2O
log_k 19.165
-delta_H -151.984 kJ/mol # Calculated enthalpy of reaction SrUO4(alpha)
# Enthalpy of formation: -1989.6 kJ/mol
-analytic -7.4169e+1 -1.6686e-2 9.8721e+3 2.6345e+1 1.5407e+2
# -Range: 0-300
SrZrO3
SrZrO3 + 4 H+ = H2O + Sr+2 + Zr(OH)2+2
log_k -131.4664
-delta_H 706.983 kJ/mol # Calculated enthalpy of reaction SrZrO3
# Enthalpy of formation: -629.677 kcal/mol
-analytic -5.8512e+1 -9.5738e-3 -3.5254e+4 1.9459e+1 -5.9865e+2
# -Range: 0-200
Starkeyite
MgSO4:4H2O = Mg+2 + SO4-2 + 4 H2O
log_k -0.9999
-delta_H 0 # Not possible to calculate enthalpy of reaction Starkeyite
# Enthalpy of formation: 0 kcal/mol
Stibnite
Sb2S3 + 6 H2O = 2 Sb(OH)3 + 3 H+ + 3 HS-
log_k -53.11
-delta_H 0 # Not possible to calculate enthalpy of reaction Stibnite
# Enthalpy of formation: 0 kcal/mol
-analytic 2.5223e+1 -5.9186e-2 -2.086e+4 3.6892e+0 -3.2551e+2
# -Range: 0-300
Stilbite
Ca1.019Na.136K.006Al2.18Si6.82O18:7.33H2O + 8.72 H+ = 0.006 K+ + 0.136 Na+ + 1.019 Ca+2 + 2.18 Al+3 + 6.82 SiO2 + 11.69 H2O
log_k 1.0545
-delta_H -83.0019 kJ/mol # Calculated enthalpy of reaction Stilbite
# Enthalpy of formation: -11005.7 kJ/mol
-analytic -2.4483e+1 3.0987e-2 2.8013e+4 -1.5802e+1 -3.4491e+6
# -Range: 0-300
Stilleite
ZnSe = Se-2 + Zn+2
log_k -23.9693
-delta_H 0 # Not possible to calculate enthalpy of reaction Stilleite
# Enthalpy of formation: -37.97 kcal/mol
-analytic -6.1948e+1 -1.7004e-2 -2.4498e+3 2.0712e+1 -3.8209e+1
# -Range: 0-300
Strengite
FePO4:2H2O + H+ = Fe+3 + HPO4-2 + 2 H2O
log_k -11.3429
-delta_H -37.107 kJ/mol # Calculated enthalpy of reaction Strengite
# Enthalpy of formation: -1876.23 kJ/mol
-analytic -2.7752e+2 -9.4014e-2 7.6862e+3 1.0846e+2 1.2002e+2
# -Range: 0-300
Strontianite
SrCO3 + H+ = HCO3- + Sr+2
log_k -0.3137
-delta_H -8.23411 kJ/mol # Calculated enthalpy of reaction Strontianite
# Enthalpy of formation: -294.6 kcal/mol
-analytic -1.3577e+2 -4.4884e-2 3.5729e+3 5.5296e+1 5.5791e+1
# -Range: 0-300
Sylvite
KCl = Cl- + K+
log_k 0.8459
-delta_H 17.4347 kJ/mol # Calculated enthalpy of reaction Sylvite
# Enthalpy of formation: -104.37 kcal/mol
-analytic -8.1204e+1 -3.3074e-2 8.2819e+2 3.6014e+1 1.2947e+1
# -Range: 0-300
Syngenite
K2Ca(SO4)2:H2O = Ca+2 + H2O + 2 K+ + 2 SO4-2
log_k -7.6001
-delta_H 0 # Not possible to calculate enthalpy of reaction Syngenite
# Enthalpy of formation: 0 kcal/mol
Tachyhydrite
Mg2CaCl6:12H2O = Ca+2 + 2 Mg+2 + 6 Cl- + 12 H2O
log_k 17.1439
-delta_H 0 # Not possible to calculate enthalpy of reaction Tachyhydrite
# Enthalpy of formation: 0 kcal/mol
Talc
Mg3Si4O10(OH)2 + 6 H+ = 3 Mg+2 + 4 H2O + 4 SiO2
log_k 21.1383
-delta_H -148.737 kJ/mol # Calculated enthalpy of reaction Talc
# Enthalpy of formation: -1410.92 kcal/mol
-analytic 1.1164e+1 2.4724e-2 1.981e+4 -1.7568e+1 -1.8241e+6
# -Range: 0-300
Tarapacaite
K2CrO4 = CrO4-2 + 2 K+
log_k -0.4037
-delta_H 17.8238 kJ/mol # Calculated enthalpy of reaction Tarapacaite
# Enthalpy of formation: -335.4 kcal/mol
-analytic 2.7953e+1 -1.0863e-2 -2.7589e+3 -6.4154e+0 -4.6859e+1
# -Range: 0-200
Tb
Tb + 3 H+ + 0.75 O2 = Tb+3 + 1.5 H2O
log_k 181.417
-delta_H -1117.97 kJ/mol # Calculated enthalpy of reaction Tb
# Enthalpy of formation: 0 kJ/mol
-analytic -5.2354e+1 -2.692e-2 5.8391e+4 1.8555e+1 9.1115e+2
# -Range: 0-300
Tb(OH)3
Tb(OH)3 + 3 H+ = Tb+3 + 3 H2O
log_k 15.6852
-delta_H 0 # Not possible to calculate enthalpy of reaction Tb(OH)3
# Enthalpy of formation: 0 kcal/mol
Tb(OH)3(am)
Tb(OH)3 + 3 H+ = Tb+3 + 3 H2O
log_k 18.7852
-delta_H 0 # Not possible to calculate enthalpy of reaction Tb(OH)3(am)
# Enthalpy of formation: 0 kcal/mol
Tb2(CO3)3
Tb2(CO3)3 + 3 H+ = 2 Tb+3 + 3 HCO3-
log_k -3.2136
-delta_H 0 # Not possible to calculate enthalpy of reaction Tb2(CO3)3
# Enthalpy of formation: 0 kcal/mol
Tb2O3
Tb2O3 + 6 H+ = 2 Tb+3 + 3 H2O
log_k 47.1
-delta_H 0 # Not possible to calculate enthalpy of reaction Tb2O3
# Enthalpy of formation: 0 kcal/mol
TbF3:.5H2O
TbF3:.5H2O = 0.5 H2O + Tb+3 + 3 F-
log_k -16.7
-delta_H 0 # Not possible to calculate enthalpy of reaction TbF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
TbPO4:10H2O
TbPO4:10H2O + H+ = HPO4-2 + Tb+3 + 10 H2O
log_k -11.9782
-delta_H 0 # Not possible to calculate enthalpy of reaction TbPO4:10H2O
# Enthalpy of formation: 0 kcal/mol
Tc
Tc + 1.75 O2 + 0.5 H2O = H+ + TcO4-
log_k 93.5811
-delta_H -552.116 kJ/mol # Calculated enthalpy of reaction Tc
# Enthalpy of formation: 0 kJ/mol
-analytic 2.267e+1 -1.205e-2 3.0174e+4 -8.4053e+0 -5.2577e+5
# -Range: 0-300
Tc(OH)2
Tc(OH)2 + 3 H+ + 0.25 O2 = Tc+3 + 2.5 H2O
log_k 5.2714
-delta_H 0 # Not possible to calculate enthalpy of reaction Tc(OH)2
# Enthalpy of formation: 0 kcal/mol
Tc(OH)3
Tc(OH)3 + 3 H+ = Tc+3 + 3 H2O
log_k -9.2425
-delta_H 0 # Not possible to calculate enthalpy of reaction Tc(OH)3
# Enthalpy of formation: 0 kcal/mol
Tc2O7
Tc2O7 + H2O = 2 H+ + 2 TcO4-
log_k 13.1077
-delta_H -26.5357 kJ/mol # Calculated enthalpy of reaction Tc2O7
# Enthalpy of formation: -1120.16 kJ/mol
-analytic 8.7535e+1 1.5366e-2 -1.1919e+3 -3.0317e+1 -2.0271e+1
# -Range: 0-200
Tc2S7
Tc2S7 + 8 H2O = 2 TcO4- + 7 HS- + 9 H+
log_k -230.241
-delta_H 1356.41 kJ/mol # Calculated enthalpy of reaction Tc2S7
# Enthalpy of formation: -615 kJ/mol
-analytic 2.456e+2 -4.3355e-2 -8.4192e+4 -7.2967e+1 -1.4298e+3
# -Range: 0-200
Tc3O4
Tc3O4 + 9 H+ + 0.25 O2 = 3 Tc+3 + 4.5 H2O
log_k -19.2271
-delta_H 0 # Not possible to calculate enthalpy of reaction Tc3O4
# Enthalpy of formation: 0 kcal/mol
Tc4O7
Tc4O7 + 10 H+ = 2 Tc+3 + 2 TcO+2 + 5 H2O
log_k -26.0149
-delta_H 0 # Not possible to calculate enthalpy of reaction Tc4O7
# Enthalpy of formation: 0 kcal/mol
TcO2:2H2O(am)
TcO2:2H2O + 2 H+ = TcO+2 + 3 H2O
log_k -4.2319
-delta_H 0 # Not possible to calculate enthalpy of reaction TcO2:2H2O(am)
# Enthalpy of formation: 0 kcal/mol
TcO3
TcO3 + H2O = TcO4-2 + 2 H+
log_k -23.1483
-delta_H 0 # Not possible to calculate enthalpy of reaction TcO3
# Enthalpy of formation: -540 kJ/mol
TcOH
TcOH + 3 H+ + 0.5 O2 = Tc+3 + 2 H2O
log_k 24.9009
-delta_H 0 # Not possible to calculate enthalpy of reaction TcOH
# Enthalpy of formation: 0 kcal/mol
TcS2
TcS2 + H2O = TcO+2 + 2 HS-
log_k -65.9742
-delta_H 0 # Not possible to calculate enthalpy of reaction TcS2
# Enthalpy of formation: -224 kJ/mol
TcS3
TcS3 + 4 H2O = TcO4-2 + 3 HS- + 5 H+
log_k -119.5008
-delta_H 0 # Not possible to calculate enthalpy of reaction TcS3
# Enthalpy of formation: -276 kJ/mol
Tenorite
CuO + 2 H+ = Cu+2 + H2O
log_k 7.656
-delta_H -64.5047 kJ/mol # Calculated enthalpy of reaction Tenorite
# Enthalpy of formation: -37.2 kcal/mol
-analytic -8.9899e+1 -1.8886e-2 6.0346e+3 3.3517e+1 9.4191e+1
# -Range: 0-300
Tephroite
Mn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Mn+2
log_k 23.0781
-delta_H -160.1 kJ/mol # Calculated enthalpy of reaction Tephroite
# Enthalpy of formation: -1730.47 kJ/mol
-analytic -3.244e+1 -1.1023e-2 8.891e+3 1.1691e+1 1.3875e+2
# -Range: 0-300
Th
Th + 4 H+ + O2 = Th+4 + 2 H2O
log_k 209.6028
-delta_H -1328.56 kJ/mol # Calculated enthalpy of reaction Th
# Enthalpy of formation: 0 kJ/mol
-analytic -2.8256e+1 -1.1963e-2 6.887e+4 4.2068e+0 1.0747e+3
# -Range: 0-300
Th(NO3)4:5H2O
Th(NO3)4:5H2O = Th+4 + 4 NO3- + 5 H2O
log_k 1.7789
-delta_H -18.1066 kJ/mol # Calculated enthalpy of reaction Th(NO3)4:5H2O
# Enthalpy of formation: -3007.35 kJ/mol
-analytic -1.248e+2 -2.0405e-2 5.1601e+3 4.6613e+1 8.7669e+1
# -Range: 0-200
Th(OH)4
Th(OH)4 + 4 H+ = Th+4 + 4 H2O
log_k 9.6543
-delta_H -140.336 kJ/mol # Calculated enthalpy of reaction Th(OH)4
# Enthalpy of formation: -423.527 kcal/mol
-analytic -1.4031e+2 -9.2493e-3 1.2345e+4 4.499e+1 2.0968e+2
# -Range: 0-200
Th(SO4)2
Th(SO4)2 = Th+4 + 2 SO4-2
log_k -20.3006
-delta_H -46.1064 kJ/mol # Calculated enthalpy of reaction Th(SO4)2
# Enthalpy of formation: -2542.12 kJ/mol
-analytic -8.4525e+0 -3.5442e-2 0e+0 0e+0 -1.154e+5
# -Range: 0-200
Th2S3
Th2S3 + 5 H+ + 0.5 O2 = H2O + 2 Th+4 + 3 HS-
log_k 95.229
-delta_H -783.243 kJ/mol # Calculated enthalpy of reaction Th2S3
# Enthalpy of formation: -1082.89 kJ/mol
-analytic -3.2969e+2 -1.109e-1 4.6877e+4 1.2152e+2 7.3157e+2
# -Range: 0-300
Th2Se3
Th2Se3 + 2 H+ + 0.5 O2 = H2O + 2 Th+4 + 3 Se-2
log_k 59.1655
-delta_H 0 # Not possible to calculate enthalpy of reaction Th2Se3
# Enthalpy of formation: -224 kcal/mol
-analytic -1.0083e+1 6.024e-3 3.4039e+4 -1.8884e+1 5.7804e+2
# -Range: 0-200
Th7S12
Th7S12 + 16 H+ + O2 = 2 H2O + 7 Th+4 + 12 HS-
log_k 204.074
-delta_H -1999.4 kJ/mol # Calculated enthalpy of reaction Th7S12
# Enthalpy of formation: -4136.58 kJ/mol
-analytic -2.1309e+2 -1.4149e-1 9.855e+4 5.2042e+1 1.6736e+3
# -Range: 0-200
ThBr4
ThBr4 = Th+4 + 4 Br-
log_k 34.0803
-delta_H -290.23 kJ/mol # Calculated enthalpy of reaction ThBr4
# Enthalpy of formation: -964.803 kJ/mol
-analytic 2.9902e+1 -3.3109e-2 1.0988e+4 -9.2209e+0 1.8657e+2
# -Range: 0-200
ThCl4
ThCl4 = Th+4 + 4 Cl-
log_k 23.8491
-delta_H -251.094 kJ/mol # Calculated enthalpy of reaction ThCl4
# Enthalpy of formation: -283.519 kcal/mol
-analytic -5.934e+0 -4.164e-2 9.8623e+3 3.6804e+0 1.6748e+2
# -Range: 0-200
ThF4
ThF4 = Th+4 + 4 F-
log_k -29.9946
-delta_H -12.6733 kJ/mol # Calculated enthalpy of reaction ThF4
# Enthalpy of formation: -501.371 kcal/mol
-analytic -4.2622e+2 -1.4222e-1 9.4201e+3 1.6446e+2 1.4712e+2
# -Range: 0-300
ThF4:2.5H2O
ThF4:2.5H2O = Th+4 + 2.5 H2O + 4 F-
log_k -31.8568
-delta_H 22.6696 kJ/mol # Calculated enthalpy of reaction ThF4:2.5H2O
# Enthalpy of formation: -2847.68 kJ/mol
-analytic -1.1284e+2 -4.5422e-2 -2.5781e+2 3.8547e+1 -4.3396e+0
# -Range: 0-200
ThI4
ThI4 = Th+4 + 4 I-
log_k 45.1997
-delta_H -332.818 kJ/mol # Calculated enthalpy of reaction ThI4
# Enthalpy of formation: -663.811 kJ/mol
-analytic 1.4224e+0 -4.0379e-2 1.4193e+4 3.3137e+0 2.4102e+2
# -Range: 0-200
ThS
ThS + 3 H+ + 0.5 O2 = H2O + HS- + Th+4
log_k 96.0395
-delta_H -669.906 kJ/mol # Calculated enthalpy of reaction ThS
# Enthalpy of formation: -394.993 kJ/mol
-analytic -1.3919e+1 -1.2372e-2 3.3883e+4 0e+0 0e+0
# -Range: 0-200
ThS2
ThS2 + 2 H+ = Th+4 + 2 HS-
log_k 10.7872
-delta_H -175.369 kJ/mol # Calculated enthalpy of reaction ThS2
# Enthalpy of formation: -625.867 kJ/mol
-analytic -3.7691e+1 -2.3714e-2 8.4673e+3 1.097e+1 1.438e+2
# -Range: 0-200
Thenardite
Na2SO4 = SO4-2 + 2 Na+
log_k -0.3091
-delta_H -2.33394 kJ/mol # Calculated enthalpy of reaction Thenardite
# Enthalpy of formation: -1387.87 kJ/mol
-analytic -2.1202e+2 -7.1613e-2 5.1083e+3 8.7244e+1 7.9773e+1
# -Range: 0-300
Thermonatrite
Na2CO3:H2O + H+ = H2O + HCO3- + 2 Na+
log_k 10.9623
-delta_H -27.5869 kJ/mol # Calculated enthalpy of reaction Thermonatrite
# Enthalpy of formation: -1428.78 kJ/mol
-analytic -1.403e+2 -3.5263e-2 5.784e+3 5.7528e+1 9.0295e+1
# -Range: 0-300
Thorianite
ThO2 + 4 H+ = Th+4 + 2 H2O
log_k 1.8624
-delta_H -114.296 kJ/mol # Calculated enthalpy of reaction Thorianite
# Enthalpy of formation: -1226.4 kJ/mol
-analytic -1.4249e+1 -2.4645e-3 4.311e+3 -1.6605e-2 2.1598e+5
# -Range: 0-300
Ti
Ti + 2 H2O + O2 = Ti(OH)4
log_k 149.2978
-delta_H 0 # Not possible to calculate enthalpy of reaction Ti
# Enthalpy of formation: 0 kJ/mol
Ti2O3
Ti2O3 + 4 H2O + 0.5 O2 = 2 Ti(OH)4
log_k 42.9866
-delta_H 0 # Not possible to calculate enthalpy of reaction Ti2O3
# Enthalpy of formation: -1520.78 kJ/mol
Ti3O5
Ti3O5 + 6 H2O + 0.5 O2 = 3 Ti(OH)4
log_k 34.6557
-delta_H 0 # Not possible to calculate enthalpy of reaction Ti3O5
# Enthalpy of formation: -2459.24 kJ/mol
TiB2
TiB2 + 5 H2O + 2.5 O2 = Ti(OH)4 + 2 B(OH)3
log_k 312.4194
-delta_H 0 # Not possible to calculate enthalpy of reaction TiB2
# Enthalpy of formation: -323.883 kJ/mol
TiBr3
TiBr3 + 3.5 H2O + 0.25 O2 = Ti(OH)4 + 3 Br- + 3 H+
log_k 47.719
-delta_H 0 # Not possible to calculate enthalpy of reaction TiBr3
# Enthalpy of formation: -548.378 kJ/mol
TiBr4
TiBr4 + 4 H2O = Ti(OH)4 + 4 Br- + 4 H+
log_k 32.9379
-delta_H 0 # Not possible to calculate enthalpy of reaction TiBr4
# Enthalpy of formation: -616.822 kJ/mol
TiC
TiC + 3 H2O + 2 O2 = H+ + HCO3- + Ti(OH)4
log_k 181.8139
-delta_H 0 # Not possible to calculate enthalpy of reaction TiC
# Enthalpy of formation: -184.346 kJ/mol
TiCl2
TiCl2 + 3 H2O + 0.5 O2 = Ti(OH)4 + 2 Cl- + 2 H+
log_k 70.9386
-delta_H 0 # Not possible to calculate enthalpy of reaction TiCl2
# Enthalpy of formation: -514.012 kJ/mol
TiCl3
TiCl3 + 3.5 H2O + 0.25 O2 = Ti(OH)4 + 3 Cl- + 3 H+
log_k 39.3099
-delta_H 0 # Not possible to calculate enthalpy of reaction TiCl3
# Enthalpy of formation: -720.775 kJ/mol
TiF4(am)
TiF4 + 4 H2O = Ti(OH)4 + 4 F- + 4 H+
log_k -12.4409
-delta_H 0 # Not possible to calculate enthalpy of reaction TiF4(am)
# Enthalpy of formation: -1649.44 kJ/mol
TiI4
TiI4 + 4 H2O = Ti(OH)4 + 4 H+ + 4 I-
log_k 34.5968
-delta_H 0 # Not possible to calculate enthalpy of reaction TiI4
# Enthalpy of formation: -375.555 kJ/mol
TiN
TiN + 3.5 H2O + 0.25 O2 = NH3 + Ti(OH)4
log_k 35.2344
-delta_H 0 # Not possible to calculate enthalpy of reaction TiN
# Enthalpy of formation: -338.304 kJ/mol
TiO(alpha)
TiO + 2 H2O + 0.5 O2 = Ti(OH)4
log_k 61.1282
-delta_H 0 # Not possible to calculate enthalpy of reaction TiO(alpha)
# Enthalpy of formation: -519.835 kJ/mol
Tiemannite
HgSe = Hg+2 + Se-2
log_k -58.2188
-delta_H 0 # Not possible to calculate enthalpy of reaction Tiemannite
# Enthalpy of formation: -10.4 kcal/mol
-analytic -5.7618e+1 -1.3891e-2 -1.3223e+4 1.9351e+1 -2.0632e+2
# -Range: 0-300
Titanite
CaTiSiO5 + 2 H+ + H2O = Ca+2 + SiO2 + Ti(OH)4
log_k 719.5839
-delta_H 0 # Not possible to calculate enthalpy of reaction Titanite
# Enthalpy of formation: 0 kcal/mol
Tl
Tl + H+ + 0.25 O2 = 0.5 H2O + Tl+
log_k 27.1743
-delta_H -134.53 kJ/mol # Calculated enthalpy of reaction Tl
# Enthalpy of formation: 0 kJ/mol
-analytic -3.7066e+1 -7.8341e-3 9.4594e+3 1.4896e+1 -1.7904e+5
# -Range: 0-300
Tm
Tm + 3 H+ + 0.75 O2 = Tm+3 + 1.5 H2O
log_k 181.7102
-delta_H -1124.66 kJ/mol # Calculated enthalpy of reaction Tm
# Enthalpy of formation: 0 kJ/mol
-analytic -6.744e+1 -2.8476e-2 5.9332e+4 2.3715e+1 -5.9611e+3
# -Range: 0-300
Tm(OH)3
Tm(OH)3 + 3 H+ = Tm+3 + 3 H2O
log_k 14.9852
-delta_H 0 # Not possible to calculate enthalpy of reaction Tm(OH)3
# Enthalpy of formation: 0 kcal/mol
Tm(OH)3(am)
Tm(OH)3 + 3 H+ = Tm+3 + 3 H2O
log_k 17.2852
-delta_H 0 # Not possible to calculate enthalpy of reaction Tm(OH)3(am)
# Enthalpy of formation: 0 kcal/mol
Tm2(CO3)3
Tm2(CO3)3 + 3 H+ = 2 Tm+3 + 3 HCO3-
log_k -2.4136
-delta_H 0 # Not possible to calculate enthalpy of reaction Tm2(CO3)3
# Enthalpy of formation: 0 kcal/mol
Tm2O3
Tm2O3 + 6 H+ = 2 Tm+3 + 3 H2O
log_k 44.7
-delta_H 0 # Not possible to calculate enthalpy of reaction Tm2O3
# Enthalpy of formation: 0 kcal/mol
TmF3:.5H2O
TmF3:.5H2O = 0.5 H2O + Tm+3 + 3 F-
log_k -16.2
-delta_H 0 # Not possible to calculate enthalpy of reaction TmF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
TmPO4:10H2O
TmPO4:10H2O + H+ = HPO4-2 + Tm+3 + 10 H2O
log_k -11.8782
-delta_H 0 # Not possible to calculate enthalpy of reaction TmPO4:10H2O
# Enthalpy of formation: 0 kcal/mol
Tobermorite-11A
Ca5Si6H11O22.5 + 10 H+ = 5 Ca+2 + 6 SiO2 + 10.5 H2O
log_k 65.6121
-delta_H -286.861 kJ/mol # Calculated enthalpy of reaction Tobermorite-11A
# Enthalpy of formation: -2556.42 kcal/mol
-analytic 7.9123e+1 3.915e-2 2.9429e+4 -3.9191e+1 -2.4122e+6
# -Range: 0-300
Tobermorite-14A
Ca5Si6H21O27.5 + 10 H+ = 5 Ca+2 + 6 SiO2 + 15.5 H2O
log_k 63.8445
-delta_H -230.959 kJ/mol # Calculated enthalpy of reaction Tobermorite-14A
# Enthalpy of formation: -2911.36 kcal/mol
-analytic -2.0789e+2 5.2472e-3 3.9698e+4 6.7797e+1 -2.7532e+6
# -Range: 0-300
Tobermorite-9A
Ca5Si6H6O20 + 10 H+ = 5 Ca+2 + 6 SiO2 + 8 H2O
log_k 69.0798
-delta_H -329.557 kJ/mol # Calculated enthalpy of reaction Tobermorite-9A
# Enthalpy of formation: -2375.42 kcal/mol
-analytic -6.3384e+1 1.1722e-2 3.8954e+4 1.2268e+1 -2.8681e+6
# -Range: 0-300
Todorokite
Mn7O12:3H2O + 16 H+ = MnO4-2 + 6 Mn+3 + 11 H2O
log_k -45.8241
-delta_H 0 # Not possible to calculate enthalpy of reaction Todorokite
# Enthalpy of formation: 0 kcal/mol
Torbernite
Cu(UO2)2(PO4)2 + 2 H+ = Cu+2 + 2 HPO4-2 + 2 UO2+2
log_k -20.3225
-delta_H -97.4022 kJ/mol # Calculated enthalpy of reaction Torbernite
# Enthalpy of formation: -1065.74 kcal/mol
-analytic -6.7128e+1 -4.5878e-2 3.5071e+3 1.9682e+1 5.9579e+1
# -Range: 0-200
Tremolite
Ca2Mg5Si8O22(OH)2 + 14 H+ = 2 Ca+2 + 5 Mg+2 + 8 H2O + 8 SiO2
log_k 61.2367
-delta_H -406.404 kJ/mol # Calculated enthalpy of reaction Tremolite
# Enthalpy of formation: -2944.04 kcal/mol
-analytic 8.5291e+1 4.6337e-2 3.9465e+4 -5.4414e+1 -3.1913e+6
# -Range: 0-300
Trevorite
NiFe2O4 + 8 H+ = Ni+2 + 2 Fe+3 + 4 H2O
log_k 9.7876
-delta_H -215.338 kJ/mol # Calculated enthalpy of reaction Trevorite
# Enthalpy of formation: -1081.15 kJ/mol
-analytic -1.4322e+2 -2.9429e-2 1.4518e+4 4.5698e+1 2.4658e+2
# -Range: 0-200
Tridymite
SiO2 = SiO2
log_k -3.8278
-delta_H 31.3664 kJ/mol # Calculated enthalpy of reaction Tridymite
# Enthalpy of formation: -909.065 kJ/mol
-analytic 3.1594e+2 6.9315e-2 -1.1358e+4 -1.2219e+2 -1.9299e+2
# -Range: 0-200
Troilite
FeS + H+ = Fe+2 + HS-
log_k -3.8184
-delta_H -7.3296 kJ/mol # Calculated enthalpy of reaction Troilite
# Enthalpy of formation: -101.036 kJ/mol
-analytic -1.6146e+2 -5.317e-2 4.0461e+3 6.462e+1 6.3183e+1
# -Range: 0-300
Trona-K
K2NaH(CO3)2:2H2O + H+ = Na+ + 2 H2O + 2 HCO3- + 2 K+
log_k 11.5891
-delta_H 0 # Not possible to calculate enthalpy of reaction Trona-K
# Enthalpy of formation: 0 kcal/mol
Tsumebite
Pb2Cu(PO4)(OH)3:3H2O + 4 H+ = Cu+2 + HPO4-2 + 2 Pb+2 + 6 H2O
log_k 2.5318
-delta_H 0 # Not possible to calculate enthalpy of reaction Tsumebite
# Enthalpy of formation: 0 kcal/mol
Tyuyamunite
Ca(UO2)2(VO4)2 = Ca+2 + 2 UO2+2 + 2 VO4-3
log_k -53.3757
-delta_H 0 # Not possible to calculate enthalpy of reaction Tyuyamunite
# Enthalpy of formation: -1164.52 kcal/mol
U
U + 2 H+ + 1.5 O2 = H2O + UO2+2
log_k 212.78
-delta_H -1286.64 kJ/mol # Calculated enthalpy of reaction U
# Enthalpy of formation: 0 kJ/mol
-analytic -2.4912e+2 -4.7104e-2 8.1115e+4 8.7008e+1 -1.0158e+6
# -Range: 0-300
U(CO3)2
U(CO3)2 + 2 H+ = U+4 + 2 HCO3-
log_k 7.5227
-delta_H -170.691 kJ/mol # Calculated enthalpy of reaction U(CO3)2
# Enthalpy of formation: -1800.38 kJ/mol
-analytic -8.5952e+1 -2.5086e-2 1.0177e+4 2.7002e+1 1.7285e+2
# -Range: 0-200
U(HPO4)2:4H2O
U(HPO4)2:4H2O = U+4 + 2 HPO4-2 + 4 H2O
log_k -32.865
-delta_H 16.1008 kJ/mol # Calculated enthalpy of reaction U(HPO4)2:4H2O
# Enthalpy of formation: -4334.82 kJ/mol
-analytic -3.8694e+2 -1.3874e-1 6.4882e+3 1.5099e+2 1.0136e+2
# -Range: 0-300
U(OH)2SO4
U(OH)2SO4 + 2 H+ = SO4-2 + U+4 + 2 H2O
log_k -3.0731
-delta_H 0 # Not possible to calculate enthalpy of reaction U(OH)2SO4
# Enthalpy of formation: 0 kcal/mol
U(SO3)2
U(SO3)2 = U+4 + 2 SO3-2
log_k -36.7499
-delta_H 20.7008 kJ/mol # Calculated enthalpy of reaction U(SO3)2
# Enthalpy of formation: -1883 kJ/mol
-analytic 5.8113e+1 -2.9981e-2 -7.0503e+3 -2.5175e+1 -1.1974e+2
# -Range: 0-200
U(SO4)2
U(SO4)2 = U+4 + 2 SO4-2
log_k -11.5178
-delta_H -100.803 kJ/mol # Calculated enthalpy of reaction U(SO4)2
# Enthalpy of formation: -2309.6 kJ/mol
-analytic 3.2215e+1 -2.8662e-2 7.1066e+2 -1.519e+1 1.2057e+1
# -Range: 0-200
U(SO4)2:4H2O
U(SO4)2:4H2O = U+4 + 2 SO4-2 + 4 H2O
log_k -11.5287
-delta_H -70.5565 kJ/mol # Calculated enthalpy of reaction U(SO4)2:4H2O
# Enthalpy of formation: -3483.2 kJ/mol
-analytic -6.9548e+1 -2.9094e-2 3.8763e+3 2.1692e+1 6.5849e+1
# -Range: 0-200
U(SO4)2:8H2O
U(SO4)2:8H2O = U+4 + 2 SO4-2 + 8 H2O
log_k -12.5558
-delta_H -34.5098 kJ/mol # Calculated enthalpy of reaction U(SO4)2:8H2O
# Enthalpy of formation: -4662.6 kJ/mol
-analytic -1.7141e+2 -2.9548e-2 6.7423e+3 5.8614e+1 1.1455e+2
# -Range: 0-200
U2C3
U2C3 + 4.5 O2 + 3 H+ = 2 U+3 + 3 HCO3-
log_k 455.3078
-delta_H -2810.1 kJ/mol # Calculated enthalpy of reaction U2C3
# Enthalpy of formation: -183.3 kJ/mol
-analytic -3.834e+2 -1.5374e-1 1.5922e+5 1.4643e+2 -1.0584e+6
# -Range: 0-300
U2F9
U2F9 + 2 H2O = U+4 + UO2+ + 4 H+ + 9 F-
log_k -45.5022
-delta_H -46.8557 kJ/mol # Calculated enthalpy of reaction U2F9
# Enthalpy of formation: -4015.92 kJ/mol
-analytic -8.8191e+2 -3.0477e-1 2.0493e+4 3.469e+2 3.2003e+2
# -Range: 0-300
U2O2Cl5
U2O2Cl5 = U+4 + UO2+ + 5 Cl-
log_k 19.2752
-delta_H -254.325 kJ/mol # Calculated enthalpy of reaction U2O2Cl5
# Enthalpy of formation: -2197.4 kJ/mol
-analytic -4.3945e+2 -1.6239e-1 2.1694e+4 1.7551e+2 3.3865e+2
# -Range: 0-300
U2O3F6
U2O3F6 + H2O = 2 H+ + 2 UO2+2 + 6 F-
log_k -2.5066
-delta_H -185.047 kJ/mol # Calculated enthalpy of reaction U2O3F6
# Enthalpy of formation: -3579.2 kJ/mol
-analytic -3.2332e+1 -5.9519e-2 5.7857e+3 1.1372e+1 9.826e+1
# -Range: 0-200
U2S3
U2S3 + 3 H+ = 2 U+3 + 3 HS-
log_k 6.5279
-delta_H -147.525 kJ/mol # Calculated enthalpy of reaction U2S3
# Enthalpy of formation: -879 kJ/mol
-analytic -3.0494e+2 -1.0983e-1 1.3647e+4 1.2059e+2 2.1304e+2
# -Range: 0-300
U2Se3
U2Se3 + 4.5 O2 = 2 U+3 + 3 SeO3-2
log_k 248.0372
-delta_H -1740.18 kJ/mol # Calculated enthalpy of reaction U2Se3
# Enthalpy of formation: -711 kJ/mol
-analytic 4.9999e+2 -1.6488e-2 6.4991e+4 -1.8795e+2 1.1035e+3
# -Range: 0-200
U3As4
U3As4 + 5.25 O2 + 5 H+ + 1.5 H2O = 3 U+3 + 4 H2AsO3-
log_k 487.6802
-delta_H -3114.02 kJ/mol # Calculated enthalpy of reaction U3As4
# Enthalpy of formation: -720 kJ/mol
-analytic -9.0215e+2 -2.5804e-1 1.9974e+5 3.3331e+2 -2.4911e+6
# -Range: 0-300
U3O5F8
U3O5F8 + H2O = 2 H+ + 3 UO2+2 + 8 F-
log_k -2.7436
-delta_H -260.992 kJ/mol # Calculated enthalpy of reaction U3O5F8
# Enthalpy of formation: -5192.95 kJ/mol
-analytic -7.7653e+2 -2.7294e-1 2.918e+4 3.0599e+2 4.5556e+2
# -Range: 0-300
U3P4
U3P4 + 7.25 O2 + 1.5 H2O + H+ = 3 U+3 + 4 HPO4-2
log_k 827.5586
-delta_H -5275.9 kJ/mol # Calculated enthalpy of reaction U3P4
# Enthalpy of formation: -843 kJ/mol
-analytic -2.7243e+3 -6.2927e-1 4.013e+5 1.0021e+3 -7.672e+6
# -Range: 0-300
U3S5
U3S5 + 5 H+ = U+4 + 2 U+3 + 5 HS-
log_k -0.368
-delta_H -218.942 kJ/mol # Calculated enthalpy of reaction U3S5
# Enthalpy of formation: -1431 kJ/mol
-analytic -1.1011e+2 -6.7959e-2 1.0369e+4 3.8481e+1 1.7611e+2
# -Range: 0-200
U3Sb4
U3Sb4 + 9 H+ + 5.25 O2 + 1.5 H2O = 3 U+3 + 4 Sb(OH)3
log_k 575.0349
-delta_H -3618.1 kJ/mol # Calculated enthalpy of reaction U3Sb4
# Enthalpy of formation: -451.9 kJ/mol
U3Se4
U3Se4 + 6.25 O2 + H+ = 0.5 H2O + 3 U+3 + 4 SeO3-2
log_k 375.2823
-delta_H -2588.16 kJ/mol # Calculated enthalpy of reaction U3Se4
# Enthalpy of formation: -983 kJ/mol
-analytic 6.7219e+2 -2.2708e-2 1.0025e+5 -2.5317e+2 1.7021e+3
# -Range: 0-200
U3Se5
U3Se5 + 7.25 O2 + 0.5 H2O = H+ + 3 U+3 + 5 SeO3-2
log_k 376.5747
-delta_H -2652.38 kJ/mol # Calculated enthalpy of reaction U3Se5
# Enthalpy of formation: -1130 kJ/mol
-analytic 8.3306e+2 -2.6526e-2 9.5737e+4 -3.1109e+2 1.6255e+3
# -Range: 0-200
U4F17
U4F17 + 2 H2O = UO2+ + 3 U+4 + 4 H+ + 17 F-
log_k -104.7657
-delta_H -78.2955 kJ/mol # Calculated enthalpy of reaction U4F17
# Enthalpy of formation: -7849.66 kJ/mol
-analytic -1.7466e+3 -5.9186e-1 4.0017e+4 6.8046e+2 6.2494e+2
# -Range: 0-300
U5O12Cl
U5O12Cl + 4 H+ = Cl- + 2 H2O + 5 UO2+
log_k -18.7797
-delta_H -9.99133 kJ/mol # Calculated enthalpy of reaction U5O12Cl
# Enthalpy of formation: -5854.4 kJ/mol
-analytic -7.3802e+1 2.918e-2 4.6804e+3 1.2371e+1 7.9503e+1
# -Range: 0-200
UAs
UAs + 2 H+ + 1.5 O2 = H2AsO3- + U+3
log_k 149.0053
-delta_H -951.394 kJ/mol # Calculated enthalpy of reaction UAs
# Enthalpy of formation: -234.3 kJ/mol
-analytic -5.0217e+1 -4.2992e-2 4.848e+4 1.9964e+1 7.565e+2
# -Range: 0-300
UAs2
UAs2 + 2.25 O2 + 1.5 H2O + H+ = U+3 + 2 H2AsO3-
log_k 189.1058
-delta_H -1210.63 kJ/mol # Calculated enthalpy of reaction UAs2
# Enthalpy of formation: -252 kJ/mol
-analytic -8.7361e+1 -7.5252e-2 6.1445e+4 3.7485e+1 9.5881e+2
# -Range: 0-300
UBr2Cl
UBr2Cl = Cl- + U+3 + 2 Br-
log_k 17.7796
-delta_H -148.586 kJ/mol # Calculated enthalpy of reaction UBr2Cl
# Enthalpy of formation: -750.6 kJ/mol
-analytic 3.0364e+0 -3.2187e-2 5.2314e+3 2.7418e+0 8.8836e+1
# -Range: 0-200
UBr2Cl2
UBr2Cl2 = U+4 + 2 Br- + 2 Cl-
log_k 26.2185
-delta_H -260.466 kJ/mol # Calculated enthalpy of reaction UBr2Cl2
# Enthalpy of formation: -907.9 kJ/mol
-analytic 3.8089e+0 -3.8781e-2 1.0125e+4 0e+0 0e+0
# -Range: 0-200
UBr3
UBr3 = U+3 + 3 Br-
log_k 20.2249
-delta_H -154.91 kJ/mol # Calculated enthalpy of reaction UBr3
# Enthalpy of formation: -698.7 kJ/mol
-analytic -2.4366e+2 -9.8651e-2 1.2538e+4 1.0151e+2 1.9572e+2
# -Range: 0-300
UBr3Cl
UBr3Cl = Cl- + U+4 + 3 Br-
log_k 29.1178
-delta_H -270.49 kJ/mol # Calculated enthalpy of reaction UBr3Cl
# Enthalpy of formation: -852.3 kJ/mol
-analytic 1.1204e+1 -3.7109e-2 1.0473e+4 -2.4905e+0 1.7784e+2
# -Range: 0-200
UBr4
UBr4 = U+4 + 4 Br-
log_k 31.2904
-delta_H -275.113 kJ/mol # Calculated enthalpy of reaction UBr4
# Enthalpy of formation: -802.1 kJ/mol
-analytic -3.38e+2 -1.294e-1 2.0674e+4 1.3678e+2 3.227e+2
# -Range: 0-300
UBr5
UBr5 + 2 H2O = UO2+ + 4 H+ + 5 Br-
log_k 41.6312
-delta_H -250.567 kJ/mol # Calculated enthalpy of reaction UBr5
# Enthalpy of formation: -810.4 kJ/mol
-analytic -3.2773e+2 -1.4356e-1 1.8709e+4 1.4117e+2 2.9204e+2
# -Range: 0-300
UBrCl2
UBrCl2 = Br- + U+3 + 2 Cl-
log_k 14.5048
-delta_H -132.663 kJ/mol # Calculated enthalpy of reaction UBrCl2
# Enthalpy of formation: -812.1 kJ/mol
-analytic -5.3713e+0 -3.4256e-2 4.6251e+3 5.8875e+0 7.8542e+1
# -Range: 0-200
UBrCl3
UBrCl3 = Br- + U+4 + 3 Cl-
log_k 23.5258
-delta_H -246.642 kJ/mol # Calculated enthalpy of reaction UBrCl3
# Enthalpy of formation: -967.3 kJ/mol
-analytic -5.6867e+0 -4.1166e-2 9.6664e+3 3.6579e+0 1.6415e+2
# -Range: 0-200
UC
UC + 2 H+ + 1.75 O2 = 0.5 H2O + HCO3- + U+3
log_k 194.8241
-delta_H -1202.82 kJ/mol # Calculated enthalpy of reaction UC
# Enthalpy of formation: -97.9 kJ/mol
-analytic -4.6329e+1 -4.46e-2 6.1417e+4 1.9566e+1 9.5836e+2
# -Range: 0-300
UC1.94(alpha)
UC1.94 + 2.69 O2 + 1.06 H+ + 0.44 H2O = U+3 + 1.94 HCO3-
log_k 257.1619
-delta_H -1583.84 kJ/mol # Calculated enthalpy of reaction UC1.94(alpha)
# Enthalpy of formation: -85.324 kJ/mol
-analytic -5.8194e+2 -1.461e-1 1.0917e+5 2.1638e+2 -1.6852e+6
# -Range: 0-300
UCl2F2
UCl2F2 = U+4 + 2 Cl- + 2 F-
log_k -3.5085
-delta_H -130.055 kJ/mol # Calculated enthalpy of reaction UCl2F2
# Enthalpy of formation: -1466 kJ/mol
-analytic -3.9662e+2 -1.3879e-1 1.471e+4 1.5562e+2 2.2965e+2
# -Range: 0-300
UCl2I2
UCl2I2 = U+4 + 2 Cl- + 2 I-
log_k 30.2962
-delta_H -270.364 kJ/mol # Calculated enthalpy of reaction UCl2I2
# Enthalpy of formation: -768.8 kJ/mol
-analytic -1.2922e+1 -4.3178e-2 1.1219e+4 7.4562e+0 1.9052e+2
# -Range: 0-200
UCl3
UCl3 = U+3 + 3 Cl-
log_k 13.0062
-delta_H -126.639 kJ/mol # Calculated enthalpy of reaction UCl3
# Enthalpy of formation: -863.7 kJ/mol
-analytic -2.6388e+2 -1.0241e-1 1.1629e+4 1.0846e+2 1.8155e+2
# -Range: 0-300
UCl3F
UCl3F = F- + U+4 + 3 Cl-
log_k 10.32
-delta_H -184.787 kJ/mol # Calculated enthalpy of reaction UCl3F
# Enthalpy of formation: -1243 kJ/mol
-analytic -3.7971e+2 -1.3681e-1 1.7127e+4 1.5086e+2 2.6736e+2
# -Range: 0-300
UCl3I
UCl3I = I- + U+4 + 3 Cl-
log_k 25.5388
-delta_H -251.041 kJ/mol # Calculated enthalpy of reaction UCl3I
# Enthalpy of formation: -898.3 kJ/mol
-analytic -1.3362e+1 -4.3214e-2 1.0167e+4 7.1426e+0 1.7265e+2
# -Range: 0-200
UCl4
UCl4 = U+4 + 4 Cl-
log_k 21.9769
-delta_H -240.719 kJ/mol # Calculated enthalpy of reaction UCl4
# Enthalpy of formation: -1018.8 kJ/mol
-analytic -3.6881e+2 -1.3618e-1 1.9685e+4 1.4763e+2 3.0727e+2
# -Range: 0-300
UCl5
UCl5 + 2 H2O = UO2+ + 4 H+ + 5 Cl-
log_k 37.3147
-delta_H -249.849 kJ/mol # Calculated enthalpy of reaction UCl5
# Enthalpy of formation: -1039 kJ/mol
-analytic -3.6392e+2 -1.5133e-1 1.9617e+4 1.5376e+2 3.0622e+2
# -Range: 0-300
UCl6
UCl6 + 2 H2O = UO2+2 + 4 H+ + 6 Cl-
log_k 57.5888
-delta_H -383.301 kJ/mol # Calculated enthalpy of reaction UCl6
# Enthalpy of formation: -1066.5 kJ/mol
-analytic -4.5589e+2 -1.9203e-1 2.8029e+4 1.9262e+2 4.375e+2
# -Range: 0-300
UClF3
UClF3 = Cl- + U+4 + 3 F-
log_k -17.5122
-delta_H -74.3225 kJ/mol # Calculated enthalpy of reaction UClF3
# Enthalpy of formation: -1690 kJ/mol
-analytic -4.1346e+2 -1.4077e-1 1.2237e+4 1.6036e+2 1.9107e+2
# -Range: 0-300
UClI3
UClI3 = Cl- + U+4 + 3 I-
log_k 35.2367
-delta_H -285.187 kJ/mol # Calculated enthalpy of reaction UClI3
# Enthalpy of formation: -643.8 kJ/mol
-analytic -1.1799e+1 -4.3208e-2 1.2045e+4 7.8829e+0 2.0455e+2
# -Range: 0-200
UF3
UF3 = U+3 + 3 F-
log_k -19.4125
-delta_H 6.2572 kJ/mol # Calculated enthalpy of reaction UF3
# Enthalpy of formation: -1501.4 kJ/mol
-analytic -3.153e+2 -1.0945e-1 6.1335e+3 1.2443e+2 9.5799e+1
# -Range: 0-300
UF4
UF4 = U+4 + 4 F-
log_k -29.2004
-delta_H -18.3904 kJ/mol # Calculated enthalpy of reaction UF4
# Enthalpy of formation: -1914.2 kJ/mol
-analytic -4.2411e+2 -1.4147e-1 9.6621e+3 1.6352e+2 1.5089e+2
# -Range: 0-300
UF4:2.5H2O
UF4:2.5H2O = U+4 + 2.5 H2O + 4 F-
log_k -33.3685
-delta_H 24.2888 kJ/mol # Calculated enthalpy of reaction UF4:2.5H2O
# Enthalpy of formation: -2671.47 kJ/mol
-analytic -4.4218e+2 -1.4305e-1 8.2922e+3 1.7118e+2 1.2952e+2
# -Range: 0-300
UF5(alpha)
UF5 + 2 H2O = UO2+ + 4 H+ + 5 F-
log_k -12.8376
-delta_H -54.8883 kJ/mol # Calculated enthalpy of reaction UF5(alpha)
# Enthalpy of formation: -2075.3 kJ/mol
-analytic -4.5126e+2 -1.6121e-1 1.1997e+4 1.803e+2 1.8733e+2
# -Range: 0-300
UF5(beta)
UF5 + 2 H2O = UO2+ + 4 H+ + 5 F-
log_k -13.1718
-delta_H -46.9883 kJ/mol # Calculated enthalpy of reaction UF5(beta)
# Enthalpy of formation: -2083.2 kJ/mol
-analytic -4.502e+2 -1.6121e-1 1.1584e+4 1.803e+2 1.8089e+2
# -Range: 0-300
UF6
UF6 + 2 H2O = UO2+2 + 4 H+ + 6 F-
log_k 17.4292
-delta_H -261.709 kJ/mol # Calculated enthalpy of reaction UF6
# Enthalpy of formation: -2197.7 kJ/mol
-analytic -5.8427e+2 -2.1223e-1 2.5296e+4 2.344e+2 3.9489e+2
# -Range: 0-300
UH3(beta)
UH3 + 3 H+ + 1.5 O2 = U+3 + 3 H2O
log_k 199.7683
-delta_H -1201.43 kJ/mol # Calculated enthalpy of reaction UH3(beta)
# Enthalpy of formation: -126.98 kJ/mol
-analytic 5.287e+1 4.2151e-3 6.0167e+4 -2.2701e+1 1.0217e+3
# -Range: 0-200
UI3
UI3 = U+3 + 3 I-
log_k 29.0157
-delta_H -192.407 kJ/mol # Calculated enthalpy of reaction UI3
# Enthalpy of formation: -467.4 kJ/mol
-analytic -2.4505e+2 -9.9867e-2 1.4579e+4 1.0301e+2 2.2757e+2
# -Range: 0-300
UI4
UI4 = U+4 + 4 I-
log_k 39.3102
-delta_H -300.01 kJ/mol # Calculated enthalpy of reaction UI4
# Enthalpy of formation: -518.8 kJ/mol
-analytic -3.4618e+2 -1.3227e-1 2.232e+4 1.4145e+2 3.4839e+2
# -Range: 0-300
UN
UN + 3 H+ = NH3 + U+3
log_k 41.713
-delta_H -280.437 kJ/mol # Calculated enthalpy of reaction UN
# Enthalpy of formation: -290 kJ/mol
-analytic -1.6393e+2 -1.1679e-3 2.8845e+3 6.5637e+1 3.0122e+6
# -Range: 0-300
UN1.59(alpha)
UN1.59 + 1.885 H2O + H+ + 0.0575 O2 = UO2+ + 1.59 NH3
log_k 38.393
-delta_H -235.75 kJ/mol # Calculated enthalpy of reaction UN1.59(alpha)
# Enthalpy of formation: -379.2 kJ/mol
-analytic 1.8304e+1 1.1109e-2 1.2064e+4 -9.5741e+0 2.0485e+2
# -Range: 0-200
UN1.73(alpha)
UN1.73 + 2.095 H2O + H+ = 0.0475 O2 + UO2+ + 1.73 NH3
log_k 27.2932
-delta_H -169.085 kJ/mol # Calculated enthalpy of reaction UN1.73(alpha)
# Enthalpy of formation: -398.5 kJ/mol
-analytic 1.0012e+1 1.0398e-2 8.9348e+3 -6.3817e+0 1.5172e+2
# -Range: 0-200
UO2(AsO3)2
UO2(AsO3)2 + 2 H2O = UO2+2 + 2 H2AsO4-
log_k 6.9377
-delta_H -109.843 kJ/mol # Calculated enthalpy of reaction UO2(AsO3)2
# Enthalpy of formation: -2156.6 kJ/mol
-analytic -1.605e+2 -6.6472e-2 8.2129e+3 6.4533e+1 1.282e+2
# -Range: 0-300
UO2(IO3)2
UO2(IO3)2 = UO2+2 + 2 IO3-
log_k -7.2871
-delta_H -0.3862 kJ/mol # Calculated enthalpy of reaction UO2(IO3)2
# Enthalpy of formation: -1461.28 kJ/mol
-analytic -2.7047e+1 -1.4267e-2 -1.5055e+1 9.7226e+0 -2.464e-1
# -Range: 0-200
UO2(NO3)2
UO2(NO3)2 = UO2+2 + 2 NO3-
log_k 11.9598
-delta_H -81.6219 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2
# Enthalpy of formation: -1351 kJ/mol
-analytic -1.2216e+1 -1.1261e-2 3.9895e+3 5.7166e+0 6.7751e+1
# -Range: 0-200
UO2(NO3)2:2H2O
UO2(NO3)2:2H2O = UO2+2 + 2 H2O + 2 NO3-
log_k 4.9446
-delta_H -25.5995 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:2H2O
# Enthalpy of formation: -1978.7 kJ/mol
-analytic -1.3989e+2 -5.213e-2 4.3758e+3 5.8868e+1 6.8322e+1
# -Range: 0-300
UO2(NO3)2:3H2O
UO2(NO3)2:3H2O = UO2+2 + 2 NO3- + 3 H2O
log_k 3.7161
-delta_H -9.73686 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:3H2O
# Enthalpy of formation: -2280.4 kJ/mol
-analytic -1.5037e+2 -5.2234e-2 4.0783e+3 6.3024e+1 6.3682e+1
# -Range: 0-300
UO2(NO3)2:6H2O
UO2(NO3)2:6H2O = UO2+2 + 2 NO3- + 6 H2O
log_k 2.3189
-delta_H 19.8482 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:6H2O
# Enthalpy of formation: -3167.5 kJ/mol
-analytic -1.4019e+2 -4.3682e-2 2.7842e+3 5.907e+1 4.3486e+1
# -Range: 0-300
UO2(NO3)2:H2O
UO2(NO3)2:H2O = H2O + UO2+2 + 2 NO3-
log_k 8.5103
-delta_H -54.4602 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:H2O
# Enthalpy of formation: -1664 kJ/mol
-analytic -3.7575e+1 -1.1342e-2 3.7548e+3 1.4899e+1 6.3776e+1
# -Range: 0-200
UO2(OH)2(beta)
UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O
log_k 4.9457
-delta_H -56.8767 kJ/mol # Calculated enthalpy of reaction UO2(OH)2(beta)
# Enthalpy of formation: -1533.8 kJ/mol
-analytic -1.7478e+1 -1.6806e-3 3.4226e+3 4.626e+0 5.3412e+1
# -Range: 0-300
UO2(PO3)2
UO2(PO3)2 + 2 H2O = UO2+2 + 2 H+ + 2 HPO4-2
log_k -16.2805
-delta_H -58.4873 kJ/mol # Calculated enthalpy of reaction UO2(PO3)2
# Enthalpy of formation: -2973 kJ/mol
-analytic -3.2995e+2 -1.3747e-1 8.0652e+3 1.3237e+2 1.2595e+2
# -Range: 0-300
UO2(am)
UO2 + 4 H+ = U+4 + 2 H2O
log_k 0.1091
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(am)
# Enthalpy of formation: 0 kcal/mol
UO2.25
UO2.25 + 2.5 H+ = 0.5 U+4 + 0.5 UO2+ + 1.25 H2O
log_k -4.8193
-delta_H -37.1614 kJ/mol # Calculated enthalpy of reaction UO2.25
# Enthalpy of formation: -1128.3 kJ/mol
-analytic -1.9073e+2 -4.1793e-2 7.3391e+3 7.0213e+1 1.1457e+2
# -Range: 0-300
UO2.25(beta)
UO2.25 + 2.5 H+ = 0.5 U+4 + 0.5 UO2+ + 1.25 H2O
log_k -4.7593
-delta_H -38.0614 kJ/mol # Calculated enthalpy of reaction UO2.25(beta)
# Enthalpy of formation: -1127.4 kJ/mol
-analytic -3.6654e+1 -2.4013e-3 2.9632e+3 9.1625e+0 4.6249e+1
# -Range: 0-300
UO2.3333(beta)
# UO2.3333 +8.0000 H+ = + 0.3333 O2 + 2.0000 U++++ + 4.0000 H2O
(UO2.3333)2 + 8 H+ = 0.3333 O2 + 2 U+4 + 4 H2O
log_k -27.7177
-delta_H -1187.8 kJ/mol # Calculated enthalpy of reaction UO2.3333(beta)
# Enthalpy of formation: -1142 kJ/mol
-analytic -7.479e+0 -6.8382e-4 -2.7277e+3 -7.2107e+0 6.1873e+5
# -Range: 0-300
UO2.6667
# UO2.6667 +8.0000 H+ = + 0.6667 O2 + 2.0000 U++++ + 4.0000 H2O
(UO2.6667)2 + 8 H+ = 0.6667 O2 + 2 U+4 + 4 H2O
log_k -43.6051
-delta_H -1142.24 kJ/mol # Calculated enthalpy of reaction UO2.6667
# Enthalpy of formation: -1191.6 kJ/mol
-analytic 1.2095e+2 2.0118e-2 -1.4968e+4 -5.3552e+1 1.0813e+6
# -Range: 0-300
UO2Br2
UO2Br2 = UO2+2 + 2 Br-
log_k 16.5103
-delta_H -124.607 kJ/mol # Calculated enthalpy of reaction UO2Br2
# Enthalpy of formation: -1137.4 kJ/mol
-analytic -1.4876e+2 -6.2715e-2 9.02e+3 6.2108e+1 1.4079e+2
# -Range: 0-300
UO2Br2:3H2O
UO2Br2:3H2O = UO2+2 + 2 Br- + 3 H2O
log_k 9.4113
-delta_H -61.5217 kJ/mol # Calculated enthalpy of reaction UO2Br2:3H2O
# Enthalpy of formation: -2058 kJ/mol
-analytic -6.8507e+1 -1.6834e-2 5.1409e+3 2.6546e+1 8.7324e+1
# -Range: 0-200
UO2Br2:H2O
UO2Br2:H2O = H2O + UO2+2 + 2 Br-
log_k 12.1233
-delta_H -91.945 kJ/mol # Calculated enthalpy of reaction UO2Br2:H2O
# Enthalpy of formation: -1455.9 kJ/mol
-analytic -1.7519e+1 -1.6603e-2 4.3544e+3 8.0748e+0 7.395e+1
# -Range: 0-200
UO2BrOH:2H2O
UO2BrOH:2H2O + H+ = Br- + UO2+2 + 3 H2O
log_k 4.2026
-delta_H -39.8183 kJ/mol # Calculated enthalpy of reaction UO2BrOH:2H2O
# Enthalpy of formation: -1958.2 kJ/mol
-analytic -8.3411e+1 -1.0024e-2 5.0411e+3 2.9781e+1 8.5633e+1
# -Range: 0-200
UO2CO3
UO2CO3 + H+ = HCO3- + UO2+2
log_k -4.1267
-delta_H -19.2872 kJ/mol # Calculated enthalpy of reaction UO2CO3
# Enthalpy of formation: -1689.65 kJ/mol
-analytic -4.4869e+1 -1.1541e-2 1.9475e+3 1.5215e+1 3.3086e+1
# -Range: 0-200
UO2Cl
UO2Cl = Cl- + UO2+
log_k -0.5154
-delta_H -21.1067 kJ/mol # Calculated enthalpy of reaction UO2Cl
# Enthalpy of formation: -1171.1 kJ/mol
-analytic -7.3291e+1 -2.594e-2 2.5753e+3 2.9038e+1 4.0207e+1
# -Range: 0-300
UO2Cl2
UO2Cl2 = UO2+2 + 2 Cl-
log_k 12.1394
-delta_H -109.559 kJ/mol # Calculated enthalpy of reaction UO2Cl2
# Enthalpy of formation: -1243.6 kJ/mol
-analytic -1.6569e+2 -6.6249e-2 8.692e+3 6.8055e+1 1.3568e+2
# -Range: 0-300
UO2Cl2:3H2O
UO2Cl2:3H2O = UO2+2 + 2 Cl- + 3 H2O
log_k 5.6163
-delta_H -45.8743 kJ/mol # Calculated enthalpy of reaction UO2Cl2:3H2O
# Enthalpy of formation: -2164.8 kJ/mol
-analytic -8.4932e+1 -2.0867e-2 4.7594e+3 3.2654e+1 8.085e+1
# -Range: 0-200
UO2Cl2:H2O
UO2Cl2:H2O = H2O + UO2+2 + 2 Cl-
log_k 8.288
-delta_H -79.1977 kJ/mol # Calculated enthalpy of reaction UO2Cl2:H2O
# Enthalpy of formation: -1559.8 kJ/mol
-analytic -3.4458e+1 -2.063e-2 4.1231e+3 1.417e+1 7.0029e+1
# -Range: 0-200
UO2ClOH:2H2O
UO2ClOH:2H2O + H+ = Cl- + UO2+2 + 3 H2O
log_k 2.3064
-delta_H -33.1947 kJ/mol # Calculated enthalpy of reaction UO2ClOH:2H2O
# Enthalpy of formation: -2010.4 kJ/mol
-analytic -9.1834e+1 -1.2041e-2 4.9131e+3 3.2835e+1 8.3462e+1
# -Range: 0-200
UO2F2
UO2F2 = UO2+2 + 2 F-
log_k -7.2302
-delta_H -36.1952 kJ/mol # Calculated enthalpy of reaction UO2F2
# Enthalpy of formation: -1653.5 kJ/mol
-analytic -2.0303e+2 -7.1028e-2 5.9356e+3 7.9627e+1 9.2679e+1
# -Range: 0-300
UO2F2:3H2O
UO2F2:3H2O = UO2+2 + 2 F- + 3 H2O
log_k -7.3692
-delta_H -12.8202 kJ/mol # Calculated enthalpy of reaction UO2F2:3H2O
# Enthalpy of formation: -2534.39 kJ/mol
-analytic -1.0286e+2 -2.1223e-2 3.4855e+3 3.642e+1 5.9224e+1
# -Range: 0-200
UO2FOH
UO2FOH + H+ = F- + H2O + UO2+2
log_k -1.8426
-delta_H -41.7099 kJ/mol # Calculated enthalpy of reaction UO2FOH
# Enthalpy of formation: -1598.48 kJ/mol
-analytic -4.9229e+1 -1.1984e-2 3.2086e+3 1.6244e+1 5.4503e+1
# -Range: 0-200
UO2FOH:2H2O
UO2FOH:2H2O + H+ = F- + UO2+2 + 3 H2O
log_k -2.6606
-delta_H -21.8536 kJ/mol # Calculated enthalpy of reaction UO2FOH:2H2O
# Enthalpy of formation: -2190.01 kJ/mol
-analytic -1.0011e+2 -1.2203e-2 4.5446e+3 3.469e+1 7.7208e+1
# -Range: 0-200
UO2FOH:H2O
UO2FOH:H2O + H+ = F- + UO2+2 + 2 H2O
log_k -2.2838
-delta_H -31.5243 kJ/mol # Calculated enthalpy of reaction UO2FOH:H2O
# Enthalpy of formation: -1894.5 kJ/mol
-analytic -7.4628e+1 -1.2086e-2 3.8625e+3 2.5456e+1 6.5615e+1
# -Range: 0-200
UO2HPO4
UO2HPO4 = HPO4-2 + UO2+2
log_k -12.6782
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2HPO4
# Enthalpy of formation: 0 kcal/mol
UO2HPO4:4H2O
UO2HPO4:4H2O = HPO4-2 + UO2+2 + 4 H2O
log_k -13.0231
-delta_H 15.5327 kJ/mol # Calculated enthalpy of reaction UO2HPO4:4H2O
# Enthalpy of formation: -3469.97 kJ/mol
-analytic -1.1784e+2 -1.9418e-2 2.7547e+3 4.0963e+1 4.6818e+1
# -Range: 0-200
UO2SO3
UO2SO3 = SO3-2 + UO2+2
log_k -15.9812
-delta_H 6.4504 kJ/mol # Calculated enthalpy of reaction UO2SO3
# Enthalpy of formation: -1661 kJ/mol
-analytic 2.5751e+1 -1.3871e-2 -3.0305e+3 -1.109e+1 -5.147e+1
# -Range: 0-200
UO2SO4
UO2SO4 = SO4-2 + UO2+2
log_k 1.9681
-delta_H -83.4616 kJ/mol # Calculated enthalpy of reaction UO2SO4
# Enthalpy of formation: -1845.14 kJ/mol
-analytic -1.5677e+2 -6.531e-2 6.7411e+3 6.2867e+1 1.0523e+2
# -Range: 0-300
UO2SO4:2.5H2O
UO2SO4:2.5H2O = SO4-2 + UO2+2 + 2.5 H2O
log_k -1.4912
-delta_H -36.1984 kJ/mol # Calculated enthalpy of reaction UO2SO4:2.5H2O
# Enthalpy of formation: -2607 kJ/mol
-analytic -4.8908e+1 -1.3445e-2 2.8658e+3 1.6894e+1 4.8683e+1
# -Range: 0-200
UO2SO4:3.5H2O
UO2SO4:3.5H2O = SO4-2 + UO2+2 + 3.5 H2O
log_k -1.4805
-delta_H -27.4367 kJ/mol # Calculated enthalpy of reaction UO2SO4:3.5H2O
# Enthalpy of formation: -2901.6 kJ/mol
-analytic -7.418e+1 -1.3565e-2 3.5963e+3 2.6136e+1 6.1096e+1
# -Range: 0-200
UO2SO4:3H2O
UO2SO4:3H2O = SO4-2 + UO2+2 + 3 H2O
log_k -1.4028
-delta_H -34.6176 kJ/mol # Calculated enthalpy of reaction UO2SO4:3H2O
# Enthalpy of formation: -2751.5 kJ/mol
-analytic -5.0134e+1 -1.0321e-2 3.0505e+3 1.6799e+1 5.1818e+1
# -Range: 0-200
UO2SO4:H2O
UO2SO4:H2O = H2O + SO4-2 + UO2+2
log_k -6.0233
-delta_H -39.1783 kJ/mol # Calculated enthalpy of reaction UO2SO4:H2O
# Enthalpy of formation: -519.9 kcal/mol
-analytic -1.8879e+2 -6.9827e-2 5.5636e+3 7.4717e+1 8.687e+1
# -Range: 0-300
UO3(alpha)
UO3 + 2 H+ = H2O + UO2+2
log_k 8.6391
-delta_H -87.3383 kJ/mol # Calculated enthalpy of reaction UO3(alpha)
# Enthalpy of formation: -1217.5 kJ/mol
-analytic -1.4099e+1 -1.9063e-3 4.7742e+3 2.9478e+0 7.4501e+1
# -Range: 0-300
UO3(beta)
UO3 + 2 H+ = H2O + UO2+2
log_k 8.3095
-delta_H -84.5383 kJ/mol # Calculated enthalpy of reaction UO3(beta)
# Enthalpy of formation: -1220.3 kJ/mol
-analytic -1.2298e+1 -1.78e-3 4.5621e+3 2.3593e+0 7.1191e+1
# -Range: 0-300
UO3(gamma)
UO3 + 2 H+ = H2O + UO2+2
log_k 7.7073
-delta_H -81.0383 kJ/mol # Calculated enthalpy of reaction UO3(gamma)
# Enthalpy of formation: -1223.8 kJ/mol
-analytic -1.1573e+1 -2.356e-3 4.3124e+3 2.2305e+0 6.7294e+1
# -Range: 0-300
UO3:.9H2O(alpha)
UO3:.9H2O + 2 H+ = UO2+2 + 1.9 H2O
log_k 5.0167
-delta_H -55.7928 kJ/mol # Calculated enthalpy of reaction UO3:.9H2O(alpha)
# Enthalpy of formation: -1506.3 kJ/mol
-analytic -6.9286e+1 -3.0624e-3 5.5984e+3 2.2809e+1 9.5092e+1
# -Range: 0-200
UO3:2H2O
UO3:2H2O + 2 H+ = UO2+2 + 3 H2O
log_k 4.8333
-delta_H -50.415 kJ/mol # Calculated enthalpy of reaction UO3:2H2O
# Enthalpy of formation: -1826.1 kJ/mol
-analytic -5.953e+1 -9.8107e-3 4.4975e+3 2.1098e+1 7.0196e+1
# -Range: 0-300
UOBr2
UOBr2 + 2 H+ = H2O + U+4 + 2 Br-
log_k 7.9722
-delta_H -146.445 kJ/mol # Calculated enthalpy of reaction UOBr2
# Enthalpy of formation: -973.6 kJ/mol
-analytic -2.0747e+2 -7.05e-2 1.1746e+4 7.9629e+1 1.8334e+2
# -Range: 0-300
UOBr3
UOBr3 + H2O = UO2+ + 2 H+ + 3 Br-
log_k 23.5651
-delta_H -149.799 kJ/mol # Calculated enthalpy of reaction UOBr3
# Enthalpy of formation: -954 kJ/mol
-analytic -2.0001e+2 -8.4632e-2 1.1381e+4 8.5102e+1 1.7765e+2
# -Range: 0-300
UOCl
UOCl + 2 H+ = Cl- + H2O + U+3
log_k 10.3872
-delta_H -108.118 kJ/mol # Calculated enthalpy of reaction UOCl
# Enthalpy of formation: -833.9 kJ/mol
-analytic -1.1989e+2 -4.0791e-2 8.0834e+3 4.66e+1 1.2617e+2
# -Range: 0-300
UOCl2
UOCl2 + 2 H+ = H2O + U+4 + 2 Cl-
log_k 5.4559
-delta_H -141.898 kJ/mol # Calculated enthalpy of reaction UOCl2
# Enthalpy of formation: -1069.3 kJ/mol
-analytic -2.2096e+2 -7.3329e-2 1.1858e+4 8.425e+1 1.8509e+2
# -Range: 0-300
UOCl3
UOCl3 + H2O = UO2+ + 2 H+ + 3 Cl-
log_k 12.637
-delta_H -100.528 kJ/mol # Calculated enthalpy of reaction UOCl3
# Enthalpy of formation: -1140 kJ/mol
-analytic -2.1934e+2 -8.8639e-2 9.3198e+3 9.1775e+1 1.4549e+2
# -Range: 0-300
UOF2
UOF2 + 2 H+ = H2O + U+4 + 2 F-
log_k -18.1473
-delta_H -43.1335 kJ/mol # Calculated enthalpy of reaction UOF2
# Enthalpy of formation: -1504.6 kJ/mol
-analytic -6.9471e+1 -2.6188e-2 2.5576e+3 2.0428e+1 4.3454e+1
# -Range: 0-200
UOF2:H2O
UOF2:H2O + 2 H+ = U+4 + 2 F- + 2 H2O
log_k -18.7019
-delta_H -31.5719 kJ/mol # Calculated enthalpy of reaction UOF2:H2O
# Enthalpy of formation: -1802 kJ/mol
-analytic -9.501e+1 -2.6355e-2 3.1474e+3 2.9746e+1 5.348e+1
# -Range: 0-200
UOF4
UOF4 + H2O = UO2+2 + 2 H+ + 4 F-
log_k 4.5737
-delta_H -149.952 kJ/mol # Calculated enthalpy of reaction UOF4
# Enthalpy of formation: -1924.6 kJ/mol
-analytic -5.9731e+0 -3.8581e-2 4.6903e+3 2.5464e+0 7.9649e+1
# -Range: 0-200
UOFOH
UOFOH + 3 H+ = F- + U+4 + 2 H2O
log_k -8.9274
-delta_H -71.5243 kJ/mol # Calculated enthalpy of reaction UOFOH
# Enthalpy of formation: -1426.7 kJ/mol
-analytic -9.2412e+1 -1.7293e-2 5.815e+3 2.794e+1 9.8779e+1
# -Range: 0-200
UOFOH:.5H2O
UOFOH:.5H2O + H+ + 0.5 O2 = F- + UO2+2 + 1.5 H2O
log_k 24.5669
-delta_H -200.938 kJ/mol # Calculated enthalpy of reaction UOFOH:.5H2O
# Enthalpy of formation: -1576.1 kJ/mol
-analytic -1.1024e+1 -7.718e-3 1.0019e+4 1.7305e+0 1.7014e+2
# -Range: 0-200
UP
UP + 2 O2 + H+ = HPO4-2 + U+3
log_k 233.4928
-delta_H -1487.11 kJ/mol # Calculated enthalpy of reaction UP
# Enthalpy of formation: -269.8 kJ/mol
-analytic -2.1649e+2 -9.0873e-2 8.3804e+4 8.1649e+1 -5.4044e+5
# -Range: 0-300
UP2
UP2 + 3.25 O2 + 1.5 H2O = H+ + U+3 + 2 HPO4-2
log_k 360.5796
-delta_H -2301.07 kJ/mol # Calculated enthalpy of reaction UP2
# Enthalpy of formation: -304 kJ/mol
-analytic -2.4721e+2 -1.5005e-1 1.2243e+5 9.9521e+1 -3.9706e+5
# -Range: 0-300
UP2O7
UP2O7 + H2O = U+4 + 2 HPO4-2
log_k -32.9922
-delta_H -37.5256 kJ/mol # Calculated enthalpy of reaction UP2O7
# Enthalpy of formation: -2852 kJ/mol
-analytic -3.591e+2 -1.3819e-1 7.6509e+3 1.3804e+2 1.1949e+2
# -Range: 0-300
UP2O7:20H2O
UP2O7:20H2O = U+4 + 2 HPO4-2 + 19 H2O
log_k -28.63
-delta_H 0 # Not possible to calculate enthalpy of reaction UP2O7:20H2O
# Enthalpy of formation: 0 kcal/mol
UPO5
UPO5 + H2O = H+ + HPO4-2 + UO2+
log_k -19.5754
-delta_H 32.6294 kJ/mol # Calculated enthalpy of reaction UPO5
# Enthalpy of formation: -2064 kJ/mol
-analytic -1.5316e+2 -6.0911e-2 7.3255e+2 6.0317e+1 1.1476e+1
# -Range: 0-300
US
US + 2 H+ + 0.25 O2 = 0.5 H2O + HS- + U+3
log_k 46.6547
-delta_H -322.894 kJ/mol # Calculated enthalpy of reaction US
# Enthalpy of formation: -322.2 kJ/mol
-analytic -1.0845e+2 -4.0538e-2 1.8749e+4 4.2147e+1 2.9259e+2
# -Range: 0-300
US1.9
US1.9 + 1.9 H+ = 0.2 U+3 + 0.8 U+4 + 1.9 HS-
log_k -2.2816
-delta_H -91.486 kJ/mol # Calculated enthalpy of reaction US1.9
# Enthalpy of formation: -509.9 kJ/mol
-analytic -2.0534e+2 -6.839e-2 8.8888e+3 7.8243e+1 1.3876e+2
# -Range: 0-300
US2
US2 + 2 H+ = U+4 + 2 HS-
log_k -2.3324
-delta_H -103.017 kJ/mol # Calculated enthalpy of reaction US2
# Enthalpy of formation: -520.4 kJ/mol
-analytic -2.1819e+2 -7.1522e-2 9.7782e+3 8.2586e+1 1.5264e+2
# -Range: 0-300
US3
US3 + 2 H2O = H+ + UO2+2 + 3 HS-
log_k -16.637
-delta_H 43.9515 kJ/mol # Calculated enthalpy of reaction US3
# Enthalpy of formation: -539.6 kJ/mol
-analytic -2.3635e+2 -9.5877e-2 1.917e+3 9.7726e+1 2.9982e+1
# -Range: 0-300
USb
USb + 3 H+ + 1.5 O2 = Sb(OH)3 + U+3
log_k 176.0723
-delta_H -1106.19 kJ/mol # Calculated enthalpy of reaction USb
# Enthalpy of formation: -138.5 kJ/mol
USb2
USb2 + 3 H+ + 2.25 O2 + 1.5 H2O = U+3 + 2 Sb(OH)3
log_k 223.1358
-delta_H -1407.02 kJ/mol # Calculated enthalpy of reaction USb2
# Enthalpy of formation: -173.6 kJ/mol
Uranium-selenide
1 USe + 1.75 O2 + H+ = 0.5 H2O + SeO3-2 + U+3
log_k 125.6086
-delta_H -844.278 kJ/mol # Calculated enthalpy of reaction Uranium-selenide
# Enthalpy of formation: -275.7 kJ/mol
-analytic -1.0853e+2 -7.6251e-2 4.323e+4 4.5189e+1 6.746e+2
# -Range: 0-300
USe2(alpha)
USe2 + 2.75 O2 + 0.5 H2O = H+ + U+3 + 2 SeO3-2
log_k 125.4445
-delta_H -904.199 kJ/mol # Calculated enthalpy of reaction USe2(alpha)
# Enthalpy of formation: -427 kJ/mol
-analytic -2.0454e+2 -1.4191e-1 4.6114e+4 8.7906e+1 7.1963e+2
# -Range: 0-300
USe2(beta)
USe2 + 2.75 O2 + 0.5 H2O = H+ + U+3 + 2 SeO3-2
log_k 125.2868
-delta_H -904.199 kJ/mol # Calculated enthalpy of reaction USe2(beta)
# Enthalpy of formation: -427 kJ/mol
-analytic -2.0334e+2 -1.4147e-1 4.6082e+4 8.7349e+1 7.1913e+2
# -Range: 0-300
USe3
USe3 + 3.75 O2 + 1.5 H2O = U+3 + 3 H+ + 3 SeO3-2
log_k 147.2214
-delta_H -1090.42 kJ/mol # Calculated enthalpy of reaction USe3
# Enthalpy of formation: -452 kJ/mol
-analytic 4.9201e+2 -1.372e-2 3.2168e+4 -1.8131e+2 5.4609e+2
# -Range: 0-200
Umangite
Cu3Se2 = Cu+2 + 2 Cu+ + 2 Se-2
log_k -93.8412
-delta_H 0 # Not possible to calculate enthalpy of reaction Umangite
# Enthalpy of formation: -25 kcal/mol
-analytic -7.2308e+1 -2.2566e-3 -2.0738e+4 1.9677e+1 -3.5214e+2
# -Range: 0-200
Uraninite
UO2 + 4 H+ = U+4 + 2 H2O
log_k -4.8372
-delta_H -77.8767 kJ/mol # Calculated enthalpy of reaction Uraninite
# Enthalpy of formation: -1085 kJ/mol
-analytic -7.5776e+1 -1.0558e-2 5.9677e+3 2.1853e+1 9.3142e+1
# -Range: 0-300
Uranocircite
Ba(UO2)2(PO4)2 + 2 H+ = Ba+2 + 2 HPO4-2 + 2 UO2+2
log_k -19.8057
-delta_H -72.3317 kJ/mol # Calculated enthalpy of reaction Uranocircite
# Enthalpy of formation: -1215.94 kcal/mol
-analytic -3.6843e+1 -4.3076e-2 1.2427e+3 1.0384e+1 2.1115e+1
# -Range: 0-200
Uranophane
Ca(UO2)2(SiO3)2(OH)2 + 6 H+ = Ca+2 + 2 SiO2 + 2 UO2+2 + 4 H2O
log_k 17.285
-delta_H 0 # Not possible to calculate enthalpy of reaction Uranophane
# Enthalpy of formation: 0 kcal/mol
V
V + 3 H+ + 0.75 O2 = V+3 + 1.5 H2O
log_k 106.9435
-delta_H -680.697 kJ/mol # Calculated enthalpy of reaction V
# Enthalpy of formation: 0 kJ/mol
-analytic -1.0508e+2 -2.1334e-2 4.0364e+4 3.5012e+1 -3.229e+5
# -Range: 0-300
V2O4
V2O4 + 4 H+ = 2 H2O + 2 VO+2
log_k 8.5719
-delta_H -117.564 kJ/mol # Calculated enthalpy of reaction V2O4
# Enthalpy of formation: -1427.31 kJ/mol
-analytic -1.4429e+2 -3.7423e-2 9.7046e+3 5.3125e+1 1.5147e+2
# -Range: 0-300
V3O5
V3O5 + 8 H+ = VO+2 + 2 V+3 + 4 H2O
log_k 13.4312
-delta_H -218.857 kJ/mol # Calculated enthalpy of reaction V3O5
# Enthalpy of formation: -1933.17 kJ/mol
-analytic -1.7652e+2 -2.1959e-2 1.6814e+4 5.6618e+1 2.8559e+2
# -Range: 0-200
V4O7
V4O7 + 10 H+ = 2 V+3 + 2 VO+2 + 5 H2O
log_k 18.7946
-delta_H -284.907 kJ/mol # Calculated enthalpy of reaction V4O7
# Enthalpy of formation: -2639.56 kJ/mol
-analytic -2.2602e+2 -3.0261e-2 2.1667e+4 7.3214e+1 3.68e+2
# -Range: 0-200
Vaesite
NiS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Ni+2 + 1.75 HS-
log_k -26.7622
-delta_H 110.443 kJ/mol # Calculated enthalpy of reaction Vaesite
# Enthalpy of formation: -32.067 kcal/mol
-analytic 1.6172e+1 -2.2673e-2 -8.2514e+3 -3.4392e+0 -1.4013e+2
# -Range: 0-200
Vivianite
Fe3(PO4)2:8H2O + 2 H+ = 2 HPO4-2 + 3 Fe+2 + 8 H2O
log_k -4.7237
-delta_H 0 # Not possible to calculate enthalpy of reaction Vivianite
# Enthalpy of formation: 0 kcal/mol
W
W + 1.5 O2 + H2O = WO4-2 + 2 H+
log_k 123.4334
-delta_H -771.668 kJ/mol # Calculated enthalpy of reaction W
# Enthalpy of formation: 0 kJ/mol
-analytic -1.0433e+2 -6.947e-2 4.0134e+4 4.5993e+1 6.2629e+2
# -Range: 0-300
Wairakite
CaAl2Si4O10(OH)4 + 8 H+ = Ca+2 + 2 Al+3 + 4 SiO2 + 6 H2O
log_k 18.0762
-delta_H -237.781 kJ/mol # Calculated enthalpy of reaction Wairakite
# Enthalpy of formation: -1579.33 kcal/mol
-analytic -1.7914e+1 3.2944e-3 2.2782e+4 -9.0981e+0 -1.6934e+6
# -Range: 0-300
Weeksite
K2(UO2)2(Si2O5)3:4H2O + 6 H+ = 2 K+ + 2 UO2+2 + 6 SiO2 + 7 H2O
log_k 15.375
-delta_H 0 # Not possible to calculate enthalpy of reaction Weeksite
# Enthalpy of formation: 0 kcal/mol
Whitlockite
Ca3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Ca+2
log_k -4.2249
-delta_H -116.645 kJ/mol # Calculated enthalpy of reaction Whitlockite
# Enthalpy of formation: -4096.77 kJ/mol
-analytic -5.3543e+2 -1.8842e-1 1.7176e+4 2.1406e+2 2.6817e+2
# -Range: 0-300
Wilkmanite
Ni3Se4 + H2O = 0.5 O2 + 2 H+ + 3 Ni+2 + 4 Se-2
log_k -152.8793
-delta_H 0 # Not possible to calculate enthalpy of reaction Wilkmanite
# Enthalpy of formation: -60.285 kcal/mol
-analytic -1.9769e+2 -4.9968e-2 -2.8208e+4 6.2863e+1 -1.1322e+5
# -Range: 0-300
Witherite
BaCO3 + H+ = Ba+2 + HCO3-
log_k -2.9965
-delta_H 17.1628 kJ/mol # Calculated enthalpy of reaction Witherite
# Enthalpy of formation: -297.5 kcal/mol
-analytic -1.2585e+2 -4.4315e-2 2.0227e+3 5.2239e+1 3.16e+1
# -Range: 0-300
Wollastonite
CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2
log_k 13.7605
-delta_H -76.5756 kJ/mol # Calculated enthalpy of reaction Wollastonite
# Enthalpy of formation: -389.59 kcal/mol
-analytic 3.0931e+1 6.7466e-3 5.1749e+3 -1.3209e+1 -3.4579e+5
# -Range: 0-300
Wurtzite
ZnS + H+ = HS- + Zn+2
log_k -9.1406
-delta_H 22.3426 kJ/mol # Calculated enthalpy of reaction Wurtzite
# Enthalpy of formation: -45.85 kcal/mol
-analytic -1.5446e+2 -4.8874e-2 2.4551e+3 6.1278e+1 3.8355e+1
# -Range: 0-300
Wustite
Fe.947O + 2 H+ = 0.106 Fe+3 + 0.841 Fe+2 + H2O
log_k 12.4113
-delta_H -102.417 kJ/mol # Calculated enthalpy of reaction Wustite
# Enthalpy of formation: -266.265 kJ/mol
-analytic -7.6919e+1 -1.8433e-2 7.3823e+3 2.8312e+1 1.1522e+2
# -Range: 0-300
Xonotlite
Ca6Si6O17(OH)2 + 12 H+ = 6 Ca+2 + 6 SiO2 + 7 H2O
log_k 91.8267
-delta_H -495.457 kJ/mol # Calculated enthalpy of reaction Xonotlite
# Enthalpy of formation: -2397.25 kcal/mol
-analytic 1.608e+3 3.7309e-1 -2.2548e+4 -6.2716e+2 -3.8346e+2
# -Range: 0-200
Y
Y + 3 H+ + 0.75 O2 = Y+3 + 1.5 H2O
log_k 184.5689
-delta_H -1134.7 kJ/mol # Calculated enthalpy of reaction Y
# Enthalpy of formation: 0 kJ/mol
-analytic -6.2641e+1 -2.8062e-2 5.9667e+4 2.2394e+1 9.3107e+2
# -Range: 0-300
Yb
Yb + 2 H+ + 0.5 O2 = H2O + Yb+2
log_k 137.193
-delta_H -810.303 kJ/mol # Calculated enthalpy of reaction Yb
# Enthalpy of formation: 0 kJ/mol
-analytic -7.4712e+1 -2.0993e-2 4.4129e+4 2.8341e+1 6.8862e+2
# -Range: 0-300
Yb(OH)3
Yb(OH)3 + 3 H+ = Yb+3 + 3 H2O
log_k 14.6852
-delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)3
# Enthalpy of formation: 0 kcal/mol
Yb(OH)3(am)
Yb(OH)3 + 3 H+ = Yb+3 + 3 H2O
log_k 18.9852
-delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)3(am)
# Enthalpy of formation: 0 kcal/mol
Yb2(CO3)3
Yb2(CO3)3 + 3 H+ = 2 Yb+3 + 3 HCO3-
log_k -2.3136
-delta_H 0 # Not possible to calculate enthalpy of reaction Yb2(CO3)3
# Enthalpy of formation: 0 kcal/mol
Yb2O3
Yb2O3 + 6 H+ = 2 Yb+3 + 3 H2O
log_k 47.8
-delta_H 0 # Not possible to calculate enthalpy of reaction Yb2O3
# Enthalpy of formation: 0 kcal/mol
YbF3:.5H2O
YbF3:.5H2O = 0.5 H2O + Yb+3 + 3 F-
log_k -16
-delta_H 0 # Not possible to calculate enthalpy of reaction YbF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
YbPO4:10H2O
YbPO4:10H2O + H+ = HPO4-2 + Yb+3 + 10 H2O
log_k -11.7782
-delta_H 0 # Not possible to calculate enthalpy of reaction YbPO4:10H2O
# Enthalpy of formation: 0 kcal/mol
Zincite
ZnO + 2 H+ = H2O + Zn+2
log_k 11.2087
-delta_H -88.7638 kJ/mol # Calculated enthalpy of reaction Zincite
# Enthalpy of formation: -350.46 kJ/mol
-analytic -8.6681e+1 -1.9324e-2 7.1034e+3 3.2256e+1 1.1087e+2
# -Range: 0-300
Zircon
ZrSiO4 + 2 H+ = SiO2 + Zr(OH)2+2
log_k -15.4193
-delta_H 64.8635 kJ/mol # Calculated enthalpy of reaction Zircon
# Enthalpy of formation: -2033.4 kJ/mol
-analytic 9.2639e+0 6.5416e-3 5.0759e+2 -8.4547e+0 -6.6155e+5
# -Range: 0-300
Zn
Zn + 2 H+ + 0.5 O2 = H2O + Zn+2
log_k 68.8035
-delta_H -433.157 kJ/mol # Calculated enthalpy of reaction Zn
# Enthalpy of formation: 0 kJ/mol
-analytic -6.4131e+1 -2.0009e-2 2.3921e+4 2.3702e+1 3.7329e+2
# -Range: 0-300
Zn(BO2)2
Zn(BO2)2 + 2 H+ + 2 H2O = Zn+2 + 2 B(OH)3
log_k 8.313
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(BO2)2
# Enthalpy of formation: 0 kcal/mol
Zn(ClO4)2:6H2O
Zn(ClO4)2:6H2O = Zn+2 + 2 ClO4- + 6 H2O
log_k 5.6474
-delta_H 6.31871 kJ/mol # Calculated enthalpy of reaction Zn(ClO4)2:6H2O
# Enthalpy of formation: -2133.39 kJ/mol
-analytic -1.8191e+2 -9.1383e-3 7.4822e+3 6.6751e+1 1.2712e+2
# -Range: 0-200
Zn(IO3)2
Zn(IO3)2 = Zn+2 + 2 IO3-
log_k -5.3193
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(IO3)2
# Enthalpy of formation: 0 kcal/mol
Zn(NO3)2:6H2O
Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O
log_k 3.4102
-delta_H 24.7577 kJ/mol # Calculated enthalpy of reaction Zn(NO3)2:6H2O
# Enthalpy of formation: -2306.8 kJ/mol
-analytic -1.7152e+2 -1.6875e-2 5.6291e+3 6.5094e+1 9.5649e+1
# -Range: 0-200
Zn(OH)2(beta)
Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
log_k 11.9341
-delta_H -83.2111 kJ/mol # Calculated enthalpy of reaction Zn(OH)2(beta)
# Enthalpy of formation: -641.851 kJ/mol
-analytic -7.781e+1 -7.8548e-3 7.1994e+3 2.7455e+1 1.2228e+2
# -Range: 0-200
Zn(OH)2(epsilon)
Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
log_k 11.6625
-delta_H -81.7811 kJ/mol # Calculated enthalpy of reaction Zn(OH)2(epsilon)
# Enthalpy of formation: -643.281 kJ/mol
-analytic -7.7938e+1 -7.8767e-3 7.1282e+3 2.7496e+1 1.2107e+2
# -Range: 0-200
Zn(OH)2(gamma)
Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
log_k 11.8832
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)2(gamma)
# Enthalpy of formation: 0 kcal/mol
Zn2(OH)3Cl
Zn2(OH)3Cl + 3 H+ = Cl- + 2 Zn+2 + 3 H2O
log_k 15.2921
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn2(OH)3Cl
# Enthalpy of formation: 0 kcal/mol
Zn2SO4(OH)2
Zn2SO4(OH)2 + 2 H+ = SO4-2 + 2 H2O + 2 Zn+2
log_k 7.5816
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn2SO4(OH)2
# Enthalpy of formation: 0 kcal/mol
Zn2SiO4
Zn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Zn+2
log_k 13.8695
-delta_H -119.399 kJ/mol # Calculated enthalpy of reaction Zn2SiO4
# Enthalpy of formation: -1636.75 kJ/mol
-analytic 2.097e+2 5.3663e-2 -1.2724e+2 -8.5445e+1 -2.2336e+0
# -Range: 0-200
Zn2TiO4
Zn2TiO4 + 4 H+ = Ti(OH)4 + 2 Zn+2
log_k 12.3273
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn2TiO4
# Enthalpy of formation: -1647.85 kJ/mol
Zn3(AsO4)2
Zn3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Zn+2
log_k 9.3122
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn3(AsO4)2
# Enthalpy of formation: 0 kcal/mol
Zn3O(SO4)2
Zn3O(SO4)2 + 2 H+ = H2O + 2 SO4-2 + 3 Zn+2
log_k 19.1188
-delta_H -258.253 kJ/mol # Calculated enthalpy of reaction Zn3O(SO4)2
# Enthalpy of formation: -2306.95 kJ/mol
-analytic -3.9661e+1 -4.386e-2 1.1301e+4 1.3709e+1 1.9193e+2
# -Range: 0-200
Zn5(NO3)2(OH)8
Zn5(NO3)2(OH)8 + 8 H+ = 2 NO3- + 5 Zn+2 + 8 H2O
log_k 42.6674
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn5(NO3)2(OH)8
# Enthalpy of formation: 0 kcal/mol
ZnBr2
ZnBr2 = Zn+2 + 2 Br-
log_k 7.5787
-delta_H -67.7622 kJ/mol # Calculated enthalpy of reaction ZnBr2
# Enthalpy of formation: -328.63 kJ/mol
-analytic 6.5789e-2 -2.1477e-2 1.984e+3 2.9302e+0 3.3691e+1
# -Range: 0-200
ZnBr2:2H2O
ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O
log_k 5.2999
-delta_H -30.9268 kJ/mol # Calculated enthalpy of reaction ZnBr2:2H2O
# Enthalpy of formation: -937.142 kJ/mol
-analytic -4.926e+1 -2.1682e-2 2.4325e+3 2.136e+1 4.1324e+1
# -Range: 0-200
ZnCO3:H2O
ZnCO3:H2O + H+ = H2O + HCO3- + Zn+2
log_k 0.1398
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnCO3:H2O
# Enthalpy of formation: 0 kcal/mol
ZnCl2
ZnCl2 = Zn+2 + 2 Cl-
log_k 7.088
-delta_H -72.4548 kJ/mol # Calculated enthalpy of reaction ZnCl2
# Enthalpy of formation: -415.09 kJ/mol
-analytic -1.6157e+1 -2.5405e-2 2.6505e+3 8.8584e+0 4.5015e+1
# -Range: 0-200
ZnCl2(NH3)2
ZnCl2(NH3)2 = Zn+2 + 2 Cl- + 2 NH3
log_k -6.9956
-delta_H 27.2083 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)2
# Enthalpy of formation: -677.427 kJ/mol
-analytic -5.9409e+1 -2.2698e-2 -2.9178e+2 2.4308e+1 -4.9341e+0
# -Range: 0-200
ZnCl2(NH3)4
ZnCl2(NH3)4 = Zn+2 + 2 Cl- + 4 NH3
log_k -6.6955
-delta_H 56.2004 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)4
# Enthalpy of formation: -869.093 kJ/mol
-analytic -9.9769e+1 -1.9793e-2 4.2916e+2 3.9412e+1 7.3223e+0
# -Range: 0-200
ZnCl2(NH3)6
ZnCl2(NH3)6 = Zn+2 + 2 Cl- + 6 NH3
log_k -4.7311
-delta_H 77.4225 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)6
# Enthalpy of formation: -1052.99 kJ/mol
-analytic -1.3984e+2 -1.6896e-2 1.5559e+3 5.4524e+1 2.647e+1
# -Range: 0-200
ZnCr2O4
ZnCr2O4 + 8 H+ = Zn+2 + 2 Cr+3 + 4 H2O
log_k 7.9161
-delta_H -221.953 kJ/mol # Calculated enthalpy of reaction ZnCr2O4
# Enthalpy of formation: -370.88 kcal/mol
-analytic -1.7603e+2 -1.0217e-2 1.7414e+4 5.1966e+1 2.9577e+2
# -Range: 0-200
ZnF2
ZnF2 = Zn+2 + 2 F-
log_k -0.4418
-delta_H -59.8746 kJ/mol # Calculated enthalpy of reaction ZnF2
# Enthalpy of formation: -764.206 kJ/mol
-analytic -2.6085e+2 -8.4594e-2 9.024e+3 1.0318e+2 1.4089e+2
# -Range: 0-300
ZnI2
ZnI2 = Zn+2 + 2 I-
log_k 7.3885
-delta_H -59.2332 kJ/mol # Calculated enthalpy of reaction ZnI2
# Enthalpy of formation: -207.957 kJ/mol
-analytic -1.6472e+1 -2.5573e-2 2.0796e+3 9.9013e+0 3.532e+1
# -Range: 0-200
ZnSO4
ZnSO4 = SO4-2 + Zn+2
log_k 3.5452
-delta_H -80.132 kJ/mol # Calculated enthalpy of reaction ZnSO4
# Enthalpy of formation: -982.855 kJ/mol
-analytic 6.9905e+0 -1.8046e-2 2.2566e+3 -2.2819e+0 3.8318e+1
# -Range: 0-200
ZnSO4:6H2O
ZnSO4:6H2O = SO4-2 + Zn+2 + 6 H2O
log_k -1.6846
-delta_H -0.412008 kJ/mol # Calculated enthalpy of reaction ZnSO4:6H2O
# Enthalpy of formation: -2777.61 kJ/mol
-analytic -1.4506e+2 -1.8736e-2 5.2179e+3 5.3121e+1 8.8657e+1
# -Range: 0-200
ZnSO4:7H2O
ZnSO4:7H2O = SO4-2 + Zn+2 + 7 H2O
log_k -1.8683
-delta_H 14.0417 kJ/mol # Calculated enthalpy of reaction ZnSO4:7H2O
# Enthalpy of formation: -3077.9 kJ/mol
-analytic -1.6943e+2 -1.8833e-2 5.6484e+3 6.2326e+1 9.5975e+1
# -Range: 0-200
ZnSO4:H2O
ZnSO4:H2O = H2O + SO4-2 + Zn+2
log_k -0.5383
-delta_H -44.2824 kJ/mol # Calculated enthalpy of reaction ZnSO4:H2O
# Enthalpy of formation: -1304.54 kJ/mol
-analytic -1.7908e+1 -1.8228e-2 1.5811e+3 7.0677e+0 2.6856e+1
# -Range: 0-200
ZnSeO3:H2O
ZnSeO3:H2O = H2O + SeO3-2 + Zn+2
log_k -6.7408
-delta_H -17.9056 kJ/mol # Calculated enthalpy of reaction ZnSeO3:H2O
# Enthalpy of formation: -930.511 kJ/mol
-analytic -1.8569e+1 -1.9929e-2 6.4377e+1 7.0892e+0 1.0996e+0
# -Range: 0-200
Zoisite
Ca2Al3(SiO4)3OH + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O
log_k 43.3017
-delta_H -458.131 kJ/mol # Calculated enthalpy of reaction Zoisite
# Enthalpy of formation: -1643.69 kcal/mol
-analytic 2.5321e+0 -3.5886e-2 1.9902e+4 -6.2443e+0 3.1055e+2
# -Range: 0-300
Zr
Zr + 2 H+ + O2 = Zr(OH)2+2
log_k 177.6471
-delta_H -1078.71 kJ/mol # Calculated enthalpy of reaction Zr
# Enthalpy of formation: 0 kJ/mol
-analytic -2.836e+1 -1.5214e-2 5.8045e+4 7.8012e+0 -3.0657e+5
# -Range: 0-300
ZrB2
ZrB2 + 3 H+ + 2 H2O + 0.5 O2 = B(OH)3 + BH4- + Zr+4
log_k 103.4666
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrB2
# Enthalpy of formation: -326.628 kJ/mol
ZrC
ZrC + 3 H+ + 2 O2 = H2O + HCO3- + Zr+4
log_k 207.0906
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrC
# Enthalpy of formation: -203.008 kJ/mol
ZrCl
ZrCl + 3 H+ + 0.75 O2 = Cl- + Zr+4 + 1.5 H2O
log_k 130.945
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl
# Enthalpy of formation: -303.211 kJ/mol
ZrCl2
ZrCl2 + 2 H+ + 0.5 O2 = H2O + Zr+4 + 2 Cl-
log_k 96.3205
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl2
# Enthalpy of formation: -531.021 kJ/mol
ZrCl3
ZrCl3 + H+ + 0.25 O2 = 0.5 H2O + Zr+4 + 3 Cl-
log_k 62.4492
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl3
# Enthalpy of formation: -754.997 kJ/mol
ZrCl4
ZrCl4 = Zr+4 + 4 Cl-
log_k 27.9824
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl4
# Enthalpy of formation: -980.762 kJ/mol
ZrF4(beta)
ZrF4 = Zr+4 + 4 F-
log_k -27.7564
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4(beta)
# Enthalpy of formation: -1911.26 kJ/mol
ZrH2
ZrH2 + 4 H+ + 1.5 O2 = Zr+4 + 3 H2O
log_k 198.3224
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrH2
# Enthalpy of formation: -168.946 kJ/mol
ZrN
ZrN + 4 H+ + 0.25 O2 = 0.5 H2O + NH3 + Zr+4
log_k 59.1271
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrN
# Enthalpy of formation: -365 kJ/mol
O-phthalic_acid
H2O_phthalate = O_phthalate-2 + 2 H+
log_k -9.7755
-delta_H 0 # Not possible to calculate enthalpy of reaction O-phthalic_acid
# Enthalpy of formation: -186.88 kJ/mol
-analytic 7.345e+1 1.9477e-2 -3.6511e+3 -3.1035e+1 -6.2027e+1
# -Range: 0-200
Br2(l)
Br2 + H2O = 0.5 O2 + 2 Br- + 2 H+
log_k -6.5419
-delta_H 36.7648 kJ/mol # Calculated enthalpy of reaction Br2(l)
# Enthalpy of formation: 0 kJ/mol
-analytic -1.5875e+2 -5.8039e-2 1.5583e+3 6.6381e+1 2.4362e+1
# -Range: 0-300
Hg(l)
Hg + 2 H+ + 0.5 O2 = H2O + Hg+2
log_k 14.1505
-delta_H -109.608 kJ/mol # Calculated enthalpy of reaction Hg(l)
# Enthalpy of formation: 0 kcal/mol
-analytic -6.6462e+1 -1.8504e-2 7.3141e+3 2.4888e+1 1.1415e+2
# -Range: 0-300
Ag(g)
Ag + H+ + 0.25 O2 = 0.5 H2O + Ag+
log_k 51.0924
-delta_H -319.035 kJ/mol # Calculated enthalpy of reaction Ag(g)
# Enthalpy of formation: 284.9 kJ/mol
-analytic -5.8006e+0 1.7178e-3 1.6809e+4 0e+0 0e+0
# -Range: 0-200
Al(g)
Al + 3 H+ + 0.75 O2 = Al+3 + 1.5 H2O
log_k 200.6258
-delta_H -1288.06 kJ/mol # Calculated enthalpy of reaction Al(g)
# Enthalpy of formation: 330 kJ/mol
-analytic 9.6402e+0 -6.9301e-3 6.527e+4 -1.0461e+1 1.1084e+3
# -Range: 0-200
Am(g)
Am + 3 H+ + 0.75 O2 = Am+3 + 1.5 H2O
log_k 211.7865
-delta_H -1320.16 kJ/mol # Calculated enthalpy of reaction Am(g)
# Enthalpy of formation: 283.8 kJ/mol
-analytic -1.4236e+1 -8.756e-3 6.8166e+4 0e+0 0e+0
# -Range: 0-300
AmF3(g)
AmF3 = Am+3 + 3 F-
log_k 49.8631
-delta_H -455.843 kJ/mol # Calculated enthalpy of reaction AmF3(g)
# Enthalpy of formation: -1166.9 kJ/mol
-analytic -4.7209e+1 -3.644e-2 2.2278e+4 1.3418e+1 3.7833e+2
# -Range: 0-200
Ar(g)
Ar = Ar
log_k -2.8587
-delta_H -12.0081 kJ/mol # Calculated enthalpy of reaction Ar(g)
# Enthalpy of formation: 0 kcal/mol
-analytic -7.4387e+0 7.8991e-3 0e+0 0e+0 1.983e+5
# -Range: 0-300
B(g)
B + 1.5 H2O + 0.75 O2 = B(OH)3
log_k 200.843
-delta_H -1201.68 kJ/mol # Calculated enthalpy of reaction B(g)
# Enthalpy of formation: 565 kJ/mol
-analytic 1.0834e+2 1.0606e-2 5.815e+4 -4.272e+1 9.8743e+2
# -Range: 0-200
BF3(g)
BF3 + 3 H2O = B(OH)3 + 3 F- + 3 H+
log_k -2.9664
-delta_H -87.0627 kJ/mol # Calculated enthalpy of reaction BF3(g)
# Enthalpy of formation: -1136 kJ/mol
-analytic 5.2848e+1 -2.4617e-2 -1.8159e+2 -1.935e+1 -3.1018e+0
# -Range: 0-200
Be(g)
Be + 2 H+ + 0.5 O2 = Be+2 + H2O
log_k 361.9343
-delta_H 0 # Not possible to calculate enthalpy of reaction Be(g)
# Enthalpy of formation: 0 kcal/mol
Br2(g)
Br2 + H2O = 0.5 O2 + 2 Br- + 2 H+
log_k -5.9979
-delta_H 5.85481 kJ/mol # Calculated enthalpy of reaction Br2(g)
# Enthalpy of formation: 30.91 kJ/mol
-analytic -3.2403e+0 -1.7609e-2 -1.4941e+3 3.03e+0 -2.537e+1
# -Range: 0-200
C(g)
C + H2O + O2 = H+ + HCO3-
log_k 181.7723
-delta_H -1108.64 kJ/mol # Calculated enthalpy of reaction C(g)
# Enthalpy of formation: 716.68 kJ/mol
-analytic 1.0485e+2 1.7907e-3 5.2768e+4 -4.0661e+1 8.9605e+2
# -Range: 0-200
Ethylene(g)
Ethylene = Ethylene
log_k -2.3236
-delta_H -16.4431 kJ/mol # Calculated enthalpy of reaction Ethylene(g)
# Enthalpy of formation: 12.5 kcal/mol
-analytic -7.5368e+0 8.4676e-3 0e+0 0e+0 2.3971e+5
# -Range: 0-300
CH4(g)
CH4 = CH4
log_k -2.8502
-delta_H -13.0959 kJ/mol # Calculated enthalpy of reaction CH4(g)
# Enthalpy of formation: -17.88 kcal/mol
-analytic -2.4027e+1 4.7146e-3 3.7227e+2 6.4264e+0 2.3362e+5
# -Range: 0-300
CO(g)
# CO +1.0000 H2O +0.5000 O2 = + 1.0000 H+ + 1.0000 HCO3-
# log_k 38.6934
# -analytic -6.1217e+001 -3.1388e-002 1.5283e+004 2.3433e+001 2.3850e+002
# -Range: 0-300
CO = CO
log_k -3.0068
-delta_H -10.4349 kJ/mol # Calculated enthalpy of reaction CO(g)
# Enthalpy of formation: -26.416 kcal/mol
-analytic -8.0849e+0 9.2114e-3 0e+0 0e+0 2.0813e+5
# -Range: 0-300
CO2(g)
CO2 + H2O = H+ + HCO3-
log_k -7.8136
-delta_H -10.5855 kJ/mol # Calculated enthalpy of reaction CO2(g)
# Enthalpy of formation: -94.051 kcal/mol
-analytic -8.5938e+1 -3.0431e-2 2.0702e+3 3.2427e+1 3.2328e+1
# -Range: 0-300
Ca(g)
Ca + 2 H+ + 0.5 O2 = Ca+2 + H2O
log_k 165.0778
-delta_H -1000.65 kJ/mol # Calculated enthalpy of reaction Ca(g)
# Enthalpy of formation: 177.8 kJ/mol
-analytic -7.3029e+0 -4.8208e-3 5.1822e+4 0e+0 0e+0
# -Range: 0-200
Cd(g)
Cd + 2 H+ + 0.5 O2 = Cd+2 + H2O
log_k 70.1363
-delta_H -467.469 kJ/mol # Calculated enthalpy of reaction Cd(g)
# Enthalpy of formation: 111.8 kJ/mol
-analytic -9.8665e+0 -3.0921e-3 2.4126e+4 0e+0 0e+0
# -Range: 0-200
Cl2(g)
Cl2 + H2O = 0.5 O2 + 2 Cl- + 2 H+
log_k 3.0004
-delta_H -54.3878 kJ/mol # Calculated enthalpy of reaction Cl2(g)
# Enthalpy of formation: 0 kJ/mol
-analytic -1.9456e+1 -2.1491e-2 2.0652e+3 8.8629e+0 3.5076e+1
# -Range: 0-200
Cs(g)
Cs + H+ + 0.25 O2 = 0.5 H2O + Cs+
log_k 81.2805
-delta_H -474.413 kJ/mol # Calculated enthalpy of reaction Cs(g)
# Enthalpy of formation: 76.5 kJ/mol
-analytic 4.1676e+1 9.1952e-3 2.3401e+4 -1.6824e+1 3.9736e+2
# -Range: 0-200
Cu(g)
Cu + 2 H+ + 0.5 O2 = Cu+2 + H2O
log_k 83.6618
-delta_H -551.483 kJ/mol # Calculated enthalpy of reaction Cu(g)
# Enthalpy of formation: 337.4 kJ/mol
-analytic -1.1249e+1 -2.7585e-3 2.8541e+4 0e+0 0e+0
# -Range: 0-200
F2(g)
F2 + H2O = 0.5 O2 + 2 F- + 2 H+
log_k 55.7197
-delta_H -390.924 kJ/mol # Calculated enthalpy of reaction F2(g)
# Enthalpy of formation: 0 kJ/mol
-analytic -3.2664e+1 -2.1035e-2 1.9974e+4 1.1174e+1 3.392e+2
# -Range: 0-200
H2(g)
# H2 +0.5000 O2 = + 1.0000 H2O
# log_k 43.0016
# -analytic -1.1609e+001 -3.7580e-003 1.5068e+004 2.4198e+000 -7.0997e+004
# -Range: 0-300
H2 = H2
log_k -3.105
-delta_H -4.184 kJ/mol # Calculated enthalpy of reaction H2(g)
# Enthalpy of formation: 0 kcal/mol
-analytic -9.3114e+0 4.6473e-3 -4.9335e+1 1.4341e+0 1.2815e+5
# -Range: 0-300
H2O(g)
H2O = H2O
log_k 1.5854
-delta_H -43.4383 kJ/mol # Calculated enthalpy of reaction H2O(g)
# Enthalpy of formation: -57.935 kcal/mol
-analytic -1.4782e+1 1.0752e-3 2.7519e+3 2.7548e+0 4.2945e+1
# -Range: 0-300
H2S(g)
H2S = H+ + HS-
log_k -7.9759
-delta_H 4.5229 kJ/mol # Calculated enthalpy of reaction H2S(g)
# Enthalpy of formation: -4.931 kcal/mol
-analytic -9.7354e+1 -3.1576e-2 1.8285e+3 3.744e+1 2.856e+1
# -Range: 0-300
HBr(g)
HBr = Br- + H+
log_k 8.8815
-delta_H -85.2134 kJ/mol # Calculated enthalpy of reaction HBr(g)
# Enthalpy of formation: -36.29 kJ/mol
-analytic 8.1303e+0 -6.6641e-3 3.3951e+3 -3.4973e+0 5.7651e+1
# -Range: 0-200
HCl(g)
HCl = Cl- + H+
log_k 6.3055
-delta_H -74.7697 kJ/mol # Calculated enthalpy of reaction HCl(g)
# Enthalpy of formation: -92.31 kJ/mol
-analytic -2.8144e-1 -8.6776e-3 3.0668e+3 -4.5105e-1 5.2078e+1
# -Range: 0-200
HF(g)
HF = F- + H+
log_k 1.1126
-delta_H 0 # Not possible to calculate enthalpy of reaction Hf(g)
# Enthalpy of formation: 619.234 kJ/mol
-analytic -8.5783e+0 -8.844e-3 2.6279e+3 1.418e+0 4.4628e+1
# -Range: 0-200
HI(g)
HI = H+ + I-
log_k 9.3944
-delta_H -83.4024 kJ/mol # Calculated enthalpy of reaction HI(g)
# Enthalpy of formation: 26.5 kJ/mol
-analytic 5.825e-3 -8.7146e-3 3.5728e+3 0e+0 0e+0
# -Range: 0-200
He(g)
He = He
log_k -3.4143
-delta_H -0.6276 kJ/mol # Calculated enthalpy of reaction He(g)
# Enthalpy of formation: 0 kcal/mol
-analytic -1.3402e+1 4.6358e-3 1.8295e+2 2.807e+0 9.3373e+4
# -Range: 0-300
Hf(g)
Hf + 4 H+ + O2 = Hf+4 + 2 H2O
log_k 290.9782
-delta_H 0 # Not possible to calculate enthalpy of reaction Hf(g)
# Enthalpy of formation: 0 kJ/mol
Hg(g)
Hg + 2 H+ + 0.5 O2 = H2O + Hg+2
log_k 19.729
-delta_H -170.988 kJ/mol # Calculated enthalpy of reaction Hg(g)
# Enthalpy of formation: 61.38 kJ/mol
-analytic -1.6232e+1 -3.2863e-3 8.9831e+3 2.7505e+0 1.5255e+2
# -Range: 0-200
I2(g)
I2 + H2O = 0.5 O2 + 2 H+ + 2 I-
log_k -21.4231
-delta_H 103.547 kJ/mol # Calculated enthalpy of reaction I2(g)
# Enthalpy of formation: 62.42 kJ/mol
-analytic -2.0271e+1 -2.189e-2 -6.0267e+3 1.0339e+1 -1.0233e+2
# -Range: 0-200
K(g)
K + H+ + 0.25 O2 = 0.5 H2O + K+
log_k 81.5815
-delta_H -481.055 kJ/mol # Calculated enthalpy of reaction K(g)
# Enthalpy of formation: 89 kJ/mol
-analytic 1.0278e+1 3.07e-3 2.4729e+4 -5.0763e+0 4.1994e+2
# -Range: 0-200
Kr(g)
Kr = Kr
log_k -2.6051
-delta_H -15.2716 kJ/mol # Calculated enthalpy of reaction Kr(g)
# Enthalpy of formation: 0 kcal/mol
-analytic -2.1251e+1 4.8308e-3 4.2971e+2 5.3591e+0 2.2304e+5
# -Range: 0-300
Li(g)
Li + H+ + 0.25 O2 = 0.5 H2O + Li+
log_k 94.9423
-delta_H -577.639 kJ/mol # Calculated enthalpy of reaction Li(g)
# Enthalpy of formation: 159.3 kJ/mol
-analytic -2.5692e+1 -1.4385e-3 3.0936e+4 6.9899e+0 5.2535e+2
# -Range: 0-200
Mg(g)
Mg + 2 H+ + 0.5 O2 = H2O + Mg+2
log_k 142.2494
-delta_H -892.831 kJ/mol # Calculated enthalpy of reaction Mg(g)
# Enthalpy of formation: 147.1 kJ/mol
-analytic -1.347e+0 -7.7402e-4 4.5992e+4 -4.2207e+0 7.8101e+2
# -Range: 0-200
N2(g)
# N2 +3.0000 H2O = + 1.5000 O2 + 2.0000 NH3
# log_k -119.6473
# -analytic 2.4168e+001 1.6489e-002 -3.6869e+004 -1.1181e+001 2.3178e+005
# -Range: 0-300
N2 = N2
log_k -3.1864
-delta_H -10.4391 kJ/mol # Calculated enthalpy of reaction N2(g)
# Enthalpy of formation: 0 kcal/mol
-analytic -7.6452e+0 7.9606e-3 0e+0 0e+0 1.8604e+5
# -Range: 0-300
NH3(g)
NH3 = NH3
log_k 1.7966
-delta_H -35.2251 kJ/mol # Calculated enthalpy of reaction NH3(g)
# Enthalpy of formation: -11.021 kcal/mol
-analytic -1.8758e+1 3.367e-4 2.5113e+3 4.8619e+0 3.9192e+1
# -Range: 0-300
NO(g)
NO + 0.5 H2O + 0.25 O2 = H+ + NO2-
log_k 0.7554
-delta_H -48.8884 kJ/mol # Calculated enthalpy of reaction NO(g)
# Enthalpy of formation: 90.241 kJ/mol
-analytic 8.2147e+0 -1.2708e-1 -6.0593e+3 2.0504e+1 -9.4551e+1
# -Range: 0-300
NO2(g)
NO2 + 0.5 H2O + 0.25 O2 = H+ + NO3-
log_k 8.3673
-delta_H -94.0124 kJ/mol # Calculated enthalpy of reaction NO2(g)
# Enthalpy of formation: 33.154 kJ/mol
-analytic 9.4389e+1 -2.7511e-1 -1.6783e+4 2.1127e+1 -2.6191e+2
# -Range: 0-300
Na(g)
Na + H+ + 0.25 O2 = 0.5 H2O + Na+
log_k 80.864
-delta_H -487.685 kJ/mol # Calculated enthalpy of reaction Na(g)
# Enthalpy of formation: 107.5 kJ/mol
-analytic -6.0156e+0 2.4712e-3 2.5682e+4 0e+0 0e+0
# -Range: 0-200
Ne(g)
Ne = Ne
log_k -3.3462
-delta_H -3.64008 kJ/mol # Calculated enthalpy of reaction Ne(g)
# Enthalpy of formation: 0 kcal/mol
-analytic -6.5169e+0 6.3991e-3 0e+0 0e+0 1.1271e+5
# -Range: 0-300
O2(g)
O2 = O2
log_k -2.8983
-delta_H -12.1336 kJ/mol # Calculated enthalpy of reaction O2(g)
# Enthalpy of formation: 0 kcal/mol
-analytic -7.5001e+0 7.8981e-3 0e+0 0e+0 2.0027e+5
# -Range: 0-300
Pb(g)
Pb + 2 H+ + 0.5 O2 = H2O + Pb+2
log_k 75.609
-delta_H -474.051 kJ/mol # Calculated enthalpy of reaction Pb(g)
# Enthalpy of formation: 195.2 kJ/mol
-analytic 2.5752e+1 2.1307e-3 2.3397e+4 -1.1825e+1 3.973e+2
# -Range: 0-200
Rb(g)
Rb + H+ + 0.25 O2 = 0.5 H2O + Rb+
log_k 80.4976
-delta_H -471.909 kJ/mol # Calculated enthalpy of reaction Rb(g)
# Enthalpy of formation: 80.9 kJ/mol
-analytic 2.6839e+1 5.9775e-3 2.372e+4 -1.1189e+1 4.0279e+2
# -Range: 0-200
Rn(g)
Rn = Rn
log_k -2.0451
-delta_H -20.92 kJ/mol # Calculated enthalpy of reaction Rn(g)
# Enthalpy of formation: 0 kcal/mol
-analytic -3.0258e+1 4.9893e-3 1.4118e+2 8.8798e+0 3.8095e+5
# -Range: 0-300
RuCl3(g)
RuCl3 = Ru+3 + 3 Cl-
log_k 41.5503
-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl3(g)
# Enthalpy of formation: 16.84 kJ/mol
RuO3(g)
RuO3 + H2O = RuO4-2 + 2 H+
log_k 2.3859
-delta_H -100.369 kJ/mol # Calculated enthalpy of reaction RuO3(g)
# Enthalpy of formation: -70.868 kJ/mol
-analytic 1.1106e+2 1.7191e-2 6.8526e+2 -4.6922e+1 1.1598e+1
# -Range: 0-200
S2(g)
S2 + 2 H2O = 0.5 SO4-2 + 1.5 HS- + 2.5 H+
log_k -7.1449
-delta_H -35.656 kJ/mol # Calculated enthalpy of reaction S2(g)
# Enthalpy of formation: 30.681 kcal/mol
-analytic -1.8815e+2 -7.7069e-2 4.8816e+3 7.5802e+1 7.6228e+1
# -Range: 0-300
SO2(g)
SO2 = SO2
log_k 0.17
-delta_H 0 # Not possible to calculate enthalpy of reaction SO2(g)
# Enthalpy of formation: 0 kcal/mol
-analytic -2.0205e+1 2.8861e-3 1.4862e+3 5.2958e+0 1.2721e+5
# -Range: 0-300
Si(g)
Si + O2 = SiO2
log_k 219.9509
-delta_H -1315.57 kJ/mol # Calculated enthalpy of reaction Si(g)
# Enthalpy of formation: 450 kJ/mol
-analytic 4.1998e+2 8.0113e-2 5.4468e+4 -1.6433e+2 9.248e+2
# -Range: 0-200
SiF4(g)
SiF4 + 2 H2O = SiO2 + 4 F- + 4 H+
log_k -15.1931
-delta_H -32.4123 kJ/mol # Calculated enthalpy of reaction SiF4(g)
# Enthalpy of formation: -1615 kJ/mol
-analytic 3.4941e+2 3.3668e-2 -1.278e+4 -1.341e+2 -2.1714e+2
# -Range: 0-200
Sn(g)
Sn + 2 H+ + 0.5 O2 = H2O + Sn+2
log_k 94.5019
-delta_H -589.758 kJ/mol # Calculated enthalpy of reaction Sn(g)
# Enthalpy of formation: 301.2 kJ/mol
-analytic 1.4875e+1 -5.6877e-5 2.9728e+4 -8.1131e+0 5.0482e+2
# -Range: 0-200
Tc2O7(g)
Tc2O7 + H2O = 2 H+ + 2 TcO4-
log_k 21.3593
-delta_H -158.131 kJ/mol # Calculated enthalpy of reaction Tc2O7(g)
# Enthalpy of formation: -988.569 kJ/mol
-analytic 7.414e+1 1.5668e-2 5.636e+3 -3.086e+1 9.5682e+1
# -Range: 0-200
Th(g)
Th + 4 H+ + O2 = Th+4 + 2 H2O
log_k 307.8413
-delta_H -1930.56 kJ/mol # Calculated enthalpy of reaction Th(g)
# Enthalpy of formation: 602 kJ/mol
-analytic 1.8496e+1 2.7318e-3 9.8807e+4 -1.7332e+1 1.6779e+3
# -Range: 0-200
Ti(g)
Ti + 2 H2O + O2 = Ti(OH)4
log_k 224.351
-delta_H 0 # Not possible to calculate enthalpy of reaction Ti(g)
# Enthalpy of formation: 473 kJ/mol
TiBr4(g)
TiBr4 + 4 H2O = Ti(OH)4 + 4 Br- + 4 H+
log_k 36.6695
-delta_H 0 # Not possible to calculate enthalpy of reaction TiBr4(g)
# Enthalpy of formation: -549.339 kJ/mol
TiCl4(g)
TiCl4 + 4 H2O = Ti(OH)4 + 4 Cl- + 4 H+
log_k 28.0518
-delta_H 0 # Not possible to calculate enthalpy of reaction TiCl4(g)
# Enthalpy of formation: -763.2 kJ/mol
TiO(g)
TiO + 2 H2O + 0.5 O2 = Ti(OH)4
log_k 145.5711
-delta_H 0 # Not possible to calculate enthalpy of reaction TiO(g)
# Enthalpy of formation: 17.144 kJ/mol
U(g)
U + 2 H+ + 1.5 O2 = H2O + UO2+2
log_k 298.3441
-delta_H -1819.64 kJ/mol # Calculated enthalpy of reaction U(g)
# Enthalpy of formation: 533 kJ/mol
-analytic 3.7536e+1 -6.3804e-3 9.2048e+4 -1.8614e+1 1.4363e+3
# -Range: 0-300
U2Cl10(g)
U2Cl10 + 4 H2O = 2 UO2+ + 8 H+ + 10 Cl-
log_k 82.7621
-delta_H -609.798 kJ/mol # Calculated enthalpy of reaction U2Cl10(g)
# Enthalpy of formation: -1967.9 kJ/mol
-analytic -7.5513e+2 -3.007e-1 4.5824e+4 3.1267e+2 7.1526e+2
# -Range: 0-300
U2Cl8(g)
U2Cl8 = 2 U+4 + 8 Cl-
log_k 82.4059
-delta_H -769.437 kJ/mol # Calculated enthalpy of reaction U2Cl8(g)
# Enthalpy of formation: -1749.6 kJ/mol
-analytic -7.4441e+2 -2.6943e-1 5.4358e+4 2.9287e+2 8.4843e+2
# -Range: 0-300
U2F10(g)
U2F10 + 4 H2O = 2 UO2+ + 8 H+ + 10 F-
log_k -12.2888
-delta_H -239.377 kJ/mol # Calculated enthalpy of reaction U2F10(g)
# Enthalpy of formation: -4021 kJ/mol
-analytic -9.1542e+2 -3.204e-1 3.1047e+4 3.6143e+2 4.8473e+2
# -Range: 0-300
UBr(g)
UBr + O2 = Br- + UO2+
log_k 224.8412
-delta_H -1381.5 kJ/mol # Calculated enthalpy of reaction UBr(g)
# Enthalpy of formation: 247 kJ/mol
-analytic -3.1193e+2 -6.3059e-2 8.7633e+4 1.1032e+2 -1.0104e+6
# -Range: 0-300
UBr2(g)
UBr2 + O2 = UO2+2 + 2 Br-
log_k 192.6278
-delta_H -1218.87 kJ/mol # Calculated enthalpy of reaction UBr2(g)
# Enthalpy of formation: -31 kJ/mol
-analytic -1.2277e+2 -6.4613e-2 6.4196e+4 4.8209e+1 1.0018e+3
# -Range: 0-300
UBr3(g)
UBr3 = U+3 + 3 Br-
log_k 67.8918
-delta_H -489.61 kJ/mol # Calculated enthalpy of reaction UBr3(g)
# Enthalpy of formation: -364 kJ/mol
-analytic -2.5784e+2 -9.7583e-2 3.0225e+4 1.024e+2 4.7171e+2
# -Range: 0-300
UBr4(g)
UBr4 = U+4 + 4 Br-
log_k 54.2926
-delta_H -467.113 kJ/mol # Calculated enthalpy of reaction UBr4(g)
# Enthalpy of formation: -610.1 kJ/mol
-analytic -3.5205e+2 -1.2867e-1 3.0898e+4 1.3781e+2 4.8223e+2
# -Range: 0-300
UBr5(g)
UBr5 + 2 H2O = UO2+ + 4 H+ + 5 Br-
log_k 61.4272
-delta_H -423.222 kJ/mol # Calculated enthalpy of reaction UBr5(g)
# Enthalpy of formation: -637.745 kJ/mol
-analytic -3.4693e+2 -1.4298e-1 2.8151e+4 1.4406e+2 4.3938e+2
# -Range: 0-300
UCl(g)
UCl + O2 = Cl- + UO2+
log_k 221.7887
-delta_H -1368.27 kJ/mol # Calculated enthalpy of reaction UCl(g)
# Enthalpy of formation: 188.2 kJ/mol
-analytic -4.1941e+1 -2.7879e-2 7.08e+4 1.3954e+1 1.1048e+3
# -Range: 0-300
UCl2(g)
UCl2 + O2 = UO2+2 + 2 Cl-
log_k 183.7912
-delta_H -1178.03 kJ/mol # Calculated enthalpy of reaction UCl2(g)
# Enthalpy of formation: -163 kJ/mol
-analytic -1.3677e+2 -6.7829e-2 6.2413e+4 5.31e+1 9.7394e+2
# -Range: 0-300
UCl3(g)
UCl3 = U+3 + 3 Cl-
log_k 58.6335
-delta_H -453.239 kJ/mol # Calculated enthalpy of reaction UCl3(g)
# Enthalpy of formation: -537.1 kJ/mol
-analytic -2.7942e+2 -1.0243e-1 2.8859e+4 1.0982e+2 4.504e+2
# -Range: 0-300
UCl4(g)
UCl4 = U+4 + 4 Cl-
log_k 46.3988
-delta_H -441.419 kJ/mol # Calculated enthalpy of reaction UCl4(g)
# Enthalpy of formation: -818.1 kJ/mol
-analytic -3.7971e+2 -1.3504e-1 3.0243e+4 1.4746e+2 4.7202e+2
# -Range: 0-300
UCl5(g)
UCl5 + 2 H2O = UO2+ + 4 H+ + 5 Cl-
log_k 54.5311
-delta_H -406.349 kJ/mol # Calculated enthalpy of reaction UCl5(g)
# Enthalpy of formation: -882.5 kJ/mol
-analytic -3.8234e+2 -1.5109e-1 2.817e+4 1.5654e+2 4.3968e+2
# -Range: 0-300
UCl6(g)
UCl6 + 2 H2O = UO2+2 + 4 H+ + 6 Cl-
log_k 63.4791
-delta_H -462.301 kJ/mol # Calculated enthalpy of reaction UCl6(g)
# Enthalpy of formation: -987.5 kJ/mol
-analytic -4.7128e+2 -1.9133e-1 3.2528e+4 1.9503e+2 5.0771e+2
# -Range: 0-300
UF(g)
UF + O2 = F- + UO2+
log_k 206.2684
-delta_H -1296.34 kJ/mol # Calculated enthalpy of reaction UF(g)
# Enthalpy of formation: -52 kJ/mol
-analytic -6.1248e+1 -3.036e-2 6.7619e+4 2.0095e+1 1.0551e+3
# -Range: 0-300
UF2(g)
UF2 + O2 = UO2+2 + 2 F-
log_k 172.3563
-delta_H -1147.56 kJ/mol # Calculated enthalpy of reaction UF2(g)
# Enthalpy of formation: -530 kJ/mol
-analytic -4.3462e+2 -1.0881e-1 7.6778e+4 1.5835e+2 -8.8536e+5
# -Range: 0-300
UF3(g)
UF3 = U+3 + 3 F-
log_k 47.2334
-delta_H -440.943 kJ/mol # Calculated enthalpy of reaction UF3(g)
# Enthalpy of formation: -1054.2 kJ/mol
-analytic -3.3058e+2 -1.0866e-1 2.9694e+4 1.2551e+2 4.6344e+2
# -Range: 0-300
UF4(g)
UF4 = U+4 + 4 F-
log_k 14.598
-delta_H -331.39 kJ/mol # Calculated enthalpy of reaction UF4(g)
# Enthalpy of formation: -1601.2 kJ/mol
-analytic -4.4692e+2 -1.4314e-1 2.6427e+4 1.6791e+2 4.125e+2
# -Range: 0-300
UF5(g)
UF5 + 2 H2O = UO2+ + 4 H+ + 5 F-
log_k 6.3801
-delta_H -220.188 kJ/mol # Calculated enthalpy of reaction UF5(g)
# Enthalpy of formation: -1910 kJ/mol
-analytic -4.6981e+2 -1.6177e-1 2.0986e+4 1.8345e+2 3.276e+2
# -Range: 0-300
UF6(g)
UF6 + 2 H2O = UO2+2 + 4 H+ + 6 F-
log_k 18.2536
-delta_H -310.809 kJ/mol # Calculated enthalpy of reaction UF6(g)
# Enthalpy of formation: -2148.6 kJ/mol
-analytic -5.7661e+2 -2.0409e-1 2.768e+4 2.2743e+2 4.3209e+2
# -Range: 0-300
UI(g)
UI + O2 = I- + UO2+
log_k 230.8161
-delta_H -1410.9 kJ/mol # Calculated enthalpy of reaction UI(g)
# Enthalpy of formation: 341 kJ/mol
-analytic -3.5819e+1 -2.6631e-2 7.2899e+4 1.2133e+1 1.1375e+3
# -Range: 0-300
UI2(g)
UI2 + O2 = UO2+2 + 2 I-
log_k 194.5395
-delta_H -1220.67 kJ/mol # Calculated enthalpy of reaction UI2(g)
# Enthalpy of formation: 100 kJ/mol
-analytic -3.3543e+2 -9.5116e-2 7.6218e+4 1.2543e+2 -6.8683e+5
# -Range: 0-300
UI3(g)
UI3 = U+3 + 3 I-
log_k 75.6033
-delta_H -519.807 kJ/mol # Calculated enthalpy of reaction UI3(g)
# Enthalpy of formation: -140 kJ/mol
-analytic -2.6095e+2 -9.8782e-2 3.1972e+4 1.0456e+2 4.9897e+2
# -Range: 0-300
UI4(g)
UI4 = U+4 + 4 I-
log_k 64.3272
-delta_H -510.01 kJ/mol # Calculated enthalpy of reaction UI4(g)
# Enthalpy of formation: -308.8 kJ/mol
-analytic -3.5645e+2 -1.3022e-1 3.3347e+4 1.4051e+2 5.2046e+2
# -Range: 0-300
UO(g)
UO + 2 H+ + O2 = H2O + UO2+2
log_k 211.6585
-delta_H -1323.2 kJ/mol # Calculated enthalpy of reaction UO(g)
# Enthalpy of formation: 30.5 kJ/mol
-analytic -1.8007e+2 -3.1985e-2 7.8469e+4 5.8892e+1 -6.8071e+5
# -Range: 0-300
UO2(g)
UO2 + 2 H+ + 0.5 O2 = H2O + UO2+2
log_k 125.6027
-delta_H -820.972 kJ/mol # Calculated enthalpy of reaction UO2(g)
# Enthalpy of formation: -477.8 kJ/mol
-analytic -5.2789e+0 -3.5754e-3 4.2074e+4 -3.7117e+0 6.5653e+2
# -Range: 0-300
UO2Cl2(g)
UO2Cl2 = UO2+2 + 2 Cl-
log_k 47.963
-delta_H -381.559 kJ/mol # Calculated enthalpy of reaction UO2Cl2(g)
# Enthalpy of formation: -971.6 kJ/mol
-analytic -1.8035e+2 -6.5574e-2 2.3064e+4 6.8894e+1 3.5994e+2
# -Range: 0-300
UO2F2(g)
UO2F2 = UO2+2 + 2 F-
log_k 34.6675
-delta_H -337.195 kJ/mol # Calculated enthalpy of reaction UO2F2(g)
# Enthalpy of formation: -1352.5 kJ/mol
-analytic -2.1498e+2 -6.9882e-2 2.1774e+4 7.978e+1 3.3983e+2
# -Range: 0-300
UO3(g)
UO3 + 2 H+ = H2O + UO2+2
log_k 70.948
-delta_H -505.638 kJ/mol # Calculated enthalpy of reaction UO3(g)
# Enthalpy of formation: -799.2 kJ/mol
-analytic -3.282e+1 -2.6807e-3 2.6914e+4 5.7767e+0 4.1997e+2
# -Range: 0-300
UOF4(g)
UOF4 + H2O = UO2+2 + 2 H+ + 4 F-
log_k 24.2848
-delta_H -312.552 kJ/mol # Calculated enthalpy of reaction UOF4(g)
# Enthalpy of formation: -1762 kJ/mol
-analytic -3.9592e+2 -1.3699e-1 2.4127e+4 1.5359e+2 3.766e+2
# -Range: 0-300
Xe(g)
Xe = Xe
log_k -2.364
-delta_H -18.8698 kJ/mol # Calculated enthalpy of reaction Xe(g)
# Enthalpy of formation: 0 kcal/mol
-analytic -2.0636e+1 5.1389e-3 2.049e+2 5.1913e+0 2.8556e+5
# -Range: 0-300
Zn(g)
Zn + 2 H+ + 0.5 O2 = H2O + Zn+2
log_k 85.414
-delta_H -563.557 kJ/mol # Calculated enthalpy of reaction Zn(g)
# Enthalpy of formation: 130.4 kJ/mol
-analytic -1.0898e+1 -3.9871e-3 2.9068e+4 0e+0 0e+0
# -Range: 0-200
Zr(g)
Zr + 4 H+ + O2 = Zr+4 + 2 H2O
log_k 277.1324
-delta_H 0 # Not possible to calculate enthalpy of reaction Zr(g)
# Enthalpy of formation: 608.948 kJ/mol
ZrF4(g)
ZrF4 = Zr+4 + 4 F-
log_k 142.9515
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4(g)
# Enthalpy of formation: -858.24 kJ/mol
EXCHANGE_MASTER_SPECIES
X X-
EXCHANGE_SPECIES
X- = X-
log_k 0
Na+ + X- = NaX
log_k 0
-llnl_gamma 4
K+ + X- = KX
log_k 0.7
-llnl_gamma 3
delta_h -4.3 # Jardine & Sparks, 1984
Li+ + X- = LiX
log_k -0.08
-llnl_gamma 6
delta_h 1.4 # Merriam & Thomas, 1956
NH4+ + X- = NH4X
log_k 0.6
-llnl_gamma 2.5
delta_h -2.4 # Laudelout et al., 1968
Ca+2 + 2 X- = CaX2
log_k 0.8
-llnl_gamma 6
delta_h 7.2 # Van Bladel & Gheyl, 1980
Mg+2 + 2 X- = MgX2
log_k 0.6
-llnl_gamma 8
delta_h 7.4 # Laudelout et al., 1968
Sr+2 + 2 X- = SrX2
log_k 0.91
-llnl_gamma 5
delta_h 5.5 # Laudelout et al., 1968
Ba+2 + 2 X- = BaX2
log_k 0.91
-llnl_gamma 5
delta_h 4.5 # Laudelout et al., 1968
Mn+2 + 2 X- = MnX2
log_k 0.52
-llnl_gamma 6
Fe+2 + 2 X- = FeX2
log_k 0.44
-llnl_gamma 6
Cu+2 + 2 X- = CuX2
log_k 0.6
-llnl_gamma 6
Zn+2 + 2 X- = ZnX2
log_k 0.8
-llnl_gamma 6
Cd+2 + 2 X- = CdX2
log_k 0.8
-llnl_gamma 5
Pb+2 + 2 X- = PbX2
log_k 1.05
-llnl_gamma 4.5
Al+3 + 3 X- = AlX3
log_k 0.41
-llnl_gamma 9
AlOH+2 + 2 X- = AlOHX2
log_k 0.89
-llnl_gamma 4.5
SURFACE_MASTER_SPECIES
Hfo_s Hfo_sOH
Hfo_w Hfo_wOH
SURFACE_SPECIES
# All surface data from
# Dzombak and Morel, 1990
#
#
# Acid-base data from table 5.7
#
# strong binding site--Hfo_s,
Hfo_sOH = Hfo_sOH
log_k 0
Hfo_sOH + H+ = Hfo_sOH2+
log_k 7.29 # = pKa1,int
Hfo_sOH = Hfo_sO- + H+
log_k -8.93 # = -pKa2,int
# weak binding site--Hfo_w
Hfo_wOH = Hfo_wOH
log_k 0
Hfo_wOH + H+ = Hfo_wOH2+
log_k 7.29 # = pKa1,int
Hfo_wOH = Hfo_wO- + H+
log_k -8.93 # = -pKa2,int
###############################################
# CATIONS #
###############################################
#
# Cations from table 10.1 or 10.5
#
# Calcium
Hfo_sOH + Ca+2 = Hfo_sOHCa+2
log_k 4.97
Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
log_k -5.85
# Strontium
Hfo_sOH + Sr+2 = Hfo_sOHSr+2
log_k 5.01
Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+
log_k -6.58
Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+
log_k -17.6
# Barium
Hfo_sOH + Ba+2 = Hfo_sOHBa+2
log_k 5.46
Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
log_k -7.2 # table 10.5
#
# Cations from table 10.2
#
# Cadmium
Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
log_k 0.47
Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
log_k -2.91
# Zinc
Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
log_k 0.99
Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
log_k -1.99
# Copper
Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
log_k 2.89
Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
log_k 0.6 # table 10.5
# Lead
Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
log_k 4.65
Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
log_k 0.3 # table 10.5
#
# Derived constants table 10.5
#
# Magnesium
Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+
log_k -4.6
# Manganese
Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+
log_k -0.4 # table 10.5
Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+
log_k -3.5 # table 10.5
# Iron
Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+
log_k 0.7 # LFER using table 10.5
Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+
log_k -2.5 # LFER using table 10.5
###############################################
# ANIONS #
###############################################
#
# Anions from table 10.6
#
# Phosphate
Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O
log_k 31.29
Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O
log_k 25.39
Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
log_k 17.72
#
# Anions from table 10.7
#
# Borate
Hfo_wOH + B(OH)3 = Hfo_wH2BO3 + H2O
log_k 0.62
#
# Anions from table 10.8
#
# Sulfate
Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O
log_k 7.78
Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
log_k 0.79
#
# Derived constants table 10.10
#
Hfo_wOH + F- + H+ = Hfo_wF + H2O
log_k 8.7
Hfo_wOH + F- = Hfo_wOHF-
log_k 1.6
#
# Carbonate: Van Geen et al., 1994 reoptimized for HFO
# 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L
#
# Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O
# log_k 12.56
#
# Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O
# log_k 20.62
# 9/19/96
# Added analytical expression for H2S, NH3, KSO4.
# Added species CaHSO4+.
# Added delta H for Goethite.
RATES
###########
#K-feldspar
###########
#
# Sverdrup and Warfvinge, 1995, Estimating field weathering rates
# using laboratory kinetics: Reviews in mineralogy and geochemistry,
# vol. 31, p. 485-541.
#
# As described in:
# Appelo and Postma, 2005, Geochemistry, groundwater
# and pollution, 2nd Edition: A.A. Balkema Publishers,
# p. 162-163 and 395-399.
#
# Assume soil is 10% K-feldspar by mass in 1 mm spheres (radius 0.5 mm)
# Assume density of rock and Kspar is 2600 kg/m^3 = 2.6 kg/L
# GFW Kspar 0.278 kg/mol
#
# Moles of Kspar per liter pore space calculation:
# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space
# Mass of Kspar per liter pore space 6.07x0.1 = 0.607 kg Kspar/L pore space
# Moles of Kspar per liter pore space 0.607/0.278 = 2.18 mol Kspar/L pore space
#
# Specific area calculation:
# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Kspar/sphere
# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Kspar/sphere
# Moles of Kspar in sphere 1.36e-9/0.278 = 4.90e-9 mol Kspar/sphere
# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere
# Specific area of K-feldspar in sphere 3.14e-8/4.90e-9 = 6.41 m^2/mol Kspar
#
#
# Example of KINETICS data block for K-feldspar rate:
# KINETICS 1
# K-feldspar
# -m0 2.18 # 10% Kspar, 0.1 mm cubes
# -m 2.18 # Moles per L pore space
# -parms 6.41 0.1 # m^2/mol Kspar, fraction adjusts lab rate to field rate
# -time 1.5 year in 40
K-feldspar
-start
1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar
3 REM PARM(2) = Adjusts lab rate to field rate
4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
5 REM K-Feldspar parameters
10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3
20 RESTORE 10
30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
40 DATA 3500, 2000, 2500, 2000
50 RESTORE 40
60 READ e_H, e_H2O, e_OH, e_CO2
70 pk_CO2 = 13
80 n_CO2 = 0.6
100 REM Generic rate follows
110 dif_temp = 1/TK - 1/281
120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
130 REM rate by H+
140 pk_H = pk_H + e_H * dif_temp
150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
160 REM rate by hydrolysis
170 pk_H2O = pk_H2O + e_H2O * dif_temp
180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
190 REM rate by OH-
200 pk_OH = pk_OH + e_OH * dif_temp
210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
220 REM rate by CO2
230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
260 area = PARM(1) * M0 *(M/M0)^0.67
270 rate = PARM(2) * area * rate * (1-SR("K-feldspar"))
280 moles = rate * TIME
290 SAVE moles
-end
###########
#Albite
###########
#
# Sverdrup and Warfvinge, 1995, Estimating field weathering rates
# using laboratory kinetics: Reviews in mineralogy and geochemistry,
# vol. 31, p. 485-541.
#
# As described in:
# Appelo and Postma, 2005, Geochemistry, groundwater
# and pollution, 2nd Edition: A.A. Balkema Publishers,
# p. 162-163 and 395-399.
#
# Example of KINETICS data block for Albite rate:
# KINETICS 1
# Albite
# -m0 0.46 # 2% Albite, 0.1 mm cubes
# -m 0.46 # Moles per L pore space
# -parms 6.04 0.1 # m^2/mol Albite, fraction adjusts lab rate to field rate
# -time 1.5 year in 40
#
# Assume soil is 2% Albite by mass in 1 mm spheres (radius 0.5 mm)
# Assume density of rock and Albite is 2600 kg/m^3 = 2.6 kg/L
# GFW Albite 0.262 kg/mol
#
# Moles of Albite per liter pore space calculation:
# Mass of rock per liter pore space = 0.7*2.6/0.3 = 6.07 kg rock/L pore space
# Mass of Albite per liter pore space 6.07x0.02 = 0.121 kg Albite/L pore space
# Moles of Albite per liter pore space 0.607/0.262 = 0.46 mol Albite/L pore space
#
# Specific area calculation:
# Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Albite/sphere
# Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Albite/sphere
# Moles of Albite in sphere 1.36e-9/0.278 = 5.20e-9 mol Albite/sphere
# Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere
# Specific area of Albite in sphere 3.14e-8/4.90e-9 = 6.04 m^2/mol Albite
Albite
-start
1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1
2 REM PARM(1) = Specific area of Albite m^2/mol Albite
3 REM PARM(2) = Adjusts lab rate to field rate
4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281)
5 REM Albite parameters
10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3
20 RESTORE 10
30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH
40 DATA 3500, 2000, 2500, 2000
50 RESTORE 40
60 READ e_H, e_H2O, e_OH, e_CO2
70 pk_CO2 = 13
80 n_CO2 = 0.6
100 REM Generic rate follows
110 dif_temp = 1/TK - 1/281
120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2")
130 REM rate by H+
140 pk_H = pk_H + e_H * dif_temp
150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC)
160 REM rate by hydrolysis
170 pk_H2O = pk_H2O + e_H2O * dif_temp
180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC)
190 REM rate by OH-
200 pk_OH = pk_OH + e_OH * dif_temp
210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH
220 REM rate by CO2
230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp
240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2
250 rate = rate_H + rate_H2O + rate_OH + rate_CO2
260 area = PARM(1) * M0 *(M/M0)^0.67
270 rate = PARM(2) * area * rate * (1-SR("Albite"))
280 moles = rate * TIME
290 SAVE moles
-end
########
#Calcite
########
# Example of KINETICS data block for calcite rate,
# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257
# KINETICS 1
# Calcite
# -tol 1e-8
# -m0 3.e-3
# -m 3.e-3
# -parms 1.67e5 0.6 # cm^2/mol calcite, exp factor
# -time 1 day
Calcite
-start
1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite
2 REM PARM(2) = exponent for M/M0
10 si_cc = SI("Calcite")
20 IF (M <= 0 and si_cc < 0) THEN GOTO 200
30 k1 = 10^(0.198 - 444 / TK )
40 k2 = 10^(2.84 - 2177 /TK )
50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317 / TK)
60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737 / TK )
80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O"))
120 rate = rate * (1 - 10^(2/3*si_cc))
130 moles = rate * 0.001 * TIME # convert from mmol to mol
200 SAVE moles
-end
#######
#Pyrite
#######
#
# Williamson, M.A. and Rimstidt, J.D., 1994,
# Geochimica et Cosmochimica Acta, v. 58, p. 5443-5454,
# rate equation is mol m^-2 s^-1.
#
# Example of KINETICS data block for pyrite rate:
# KINETICS 1
# Pyrite
# -tol 1e-8
# -m0 5.e-4
# -m 5.e-4
# -parms 0.3 0.67 .5 -0.11
# -time 1 day in 10
Pyrite
-start
1 REM Williamson and Rimstidt, 1994
2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite)
3 REM PARM(2) = exp for (M/M0)
4 REM PARM(3) = exp for O2
5 REM PARM(4) = exp for H+
10 REM Dissolution in presence of DO
20 if (M <= 0) THEN GOTO 200
30 if (SI("Pyrite") >= 0) THEN GOTO 200
40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+")
50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0)
60 moles = 10^(log_area + log_rate) * TIME
200 SAVE moles
-end
##########
#Organic_C
##########
#
# Example of KINETICS data block for SOC (sediment organic carbon):
# KINETICS 1
# Organic_C
# -formula C
# -tol 1e-8
# -m 5e-3 # SOC in mol
# -time 30 year in 15
Organic_C
-start
1 REM Additive Monod kinetics for SOC (sediment organic carbon)
2 REM Electron acceptors: O2, NO3, and SO4
10 if (M <= 0) THEN GOTO 200
20 mO2 = MOL("O2")
30 mNO3 = TOT("N(5)")
40 mSO4 = TOT("S(6)")
50 k_O2 = 1.57e-9 # 1/sec
60 k_NO3 = 1.67e-11 # 1/sec
70 k_SO4 = 1.e-13 # 1/sec
80 rate = k_O2 * mO2/(2.94e-4 + mO2)
90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3)
100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4)
110 moles = rate * M * (M/M0) * TIME
200 SAVE moles
-end
###########
#Pyrolusite
###########
#
# Postma, D. and Appelo, C.A.J., 2000, GCA, vol. 64, pp. 1237-1247.
# Rate equation given as mol L^-1 s^-1
#
# Example of KINETICS data block for Pyrolusite
# KINETICS 1-12
# Pyrolusite
# -tol 1.e-7
# -m0 0.1
# -m 0.1
# -time 0.5 day in 10
Pyrolusite
-start
10 if (M <= 0) THEN GOTO 200
20 sr_pl = SR("Pyrolusite")
30 if (sr_pl > 1) THEN GOTO 100
40 REM sr_pl <= 1, undersaturated
50 Fe_t = TOT("Fe(2)")
60 if Fe_t < 1e-8 then goto 200
70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl)
80 GOTO 200
100 REM sr_pl > 1, supersaturated
110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME
200 SAVE moles * SOLN_VOL
-end
END
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