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iphreeqc/database/llnl-organics/llnl_organics.dat
Scott Charlton f2026ac2d3 Add 'database/' from commit '488636aea287b5f185979012d820ac17f1dd3492' 
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2018-07-31 16:55:05 -06:00

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# $Id: llnl.dat 4023 2010-02-09 21:02:42Z 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
0.0100 25.0000 60.0000 100.0000
150.0000 200.0000 250.0000 300.0000
#debye huckel a (adh)
-dh_a
0.4939 0.5114 0.5465 0.5995
0.6855 0.7994 0.9593 1.2180
#debye huckel b (bdh)
-dh_b
0.3253 0.3288 0.3346 0.3421
0.3525 0.3639 0.3766 0.3925
-bdot
0.0374 0.0410 0.0438 0.0460
0.0470 0.0470 0.0340 0.0000
#cco2 (coefficients for the Drummond (1981) polynomial)
-co2_coefs
-1.0312 0.0012806
255.9 0.4445
-0.001606
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-03 -2.7655e+004 -1.4506e+001 199838.45
# Range: 0-300
SOLUTION_MASTER_SPECIES
#element species alk gfw_formula element_gfw
Acetate CH3COO- 0.0 CH3COO- 59.0252
Ag Ag+ 0.0 Ag 107.8682
Ag(1) Ag+ 0 Ag
Ag(2) Ag+2 0 Ag
Al Al+3 0.0 Al 26.9815
Alkalinity HCO3- 1.0 Ca0.5(CO3)0.5 50.05
Am Am+3 0.0 Am 243.0000
Am(+2) Am+2 0.0 Am
Am(+3) Am+3 0.0 Am
Am(+4) Am+4 0.0 Am
Am(+5) AmO2+ 0.0 Am
Am(+6) AmO2+2 0.0 Am
Ar Ar 0.0 Ar 39.948
As H2AsO4- 0.0 As 74.9216
As(-3) AsH3 0.0 As
As(+3) H2AsO3- 0.0 As
As(+5) H2AsO4- 0.0 As
Au Au+ 0.0 Au 196.9665
Au(+1) Au+ 0.0 Au
Au(+3) Au+3 0.0 Au
#B H3BO3 0.0 B 10.811
B B(OH)3 0.0 B 10.811
B(3) B(OH)3 0 B
B(-5) BH4- 0 B
Ba Ba+2 0.0 Ba 137.3270
Be Be+2 0.0 Be 9.0122
Br Br- 0.0 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 0.0 CH4
C(-3) C2H6 0.0 C2H6
C(-2.667) C3H8 0 C3H8
C(-2) C2H4 0.0 C2H4
C(-1.14) C7H8 0 C7H8
C(-1) C6H6 0 C6H6
C(-0.667) C6H5OH 0 C6H5OH
C(-.286) C7H6O2 0 C7H6O2
C HCO3- 1.0 HCO3 12.0110
C(+1) C3H7COOH 0 C3H7COOH
C(+2) CO 0 C
C(+4) HCO3- 1.0 HCO3
Ca Ca+2 0.0 Ca 40.078
Cyanide Cyanide- 1.0 CN 26.
Cd Cd+2 0.0 Cd 112.411
Ce Ce+3 0.0 Ce 140.115
Ce(+2) Ce+2 0.0 Ce
Ce(+3) Ce+3 0.0 Ce
Ce(+4) Ce+4 0.0 Ce
Cl Cl- 0.0 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 0.0 Co 58.9332
Co(+2) Co+2 0.0 Co
Co(+3) Co+3 0.0 Co
Cr CrO4-2 0.0 CrO4-2 51.9961
Cr(+2) Cr+2 0.0 Cr
Cr(+3) Cr+3 0.0 Cr
Cr(+5) CrO4-3 0.0 Cr
Cr(+6) CrO4-2 0.0 Cr
Cs Cs+ 0.0 Cs 132.9054
Cu Cu+2 0.0 Cu 63.546
Cu(+1) Cu+1 0.0 Cu
Cu(+2) Cu+2 0.0 Cu
Dy Dy+3 0.0 Dy 162.50
Dy(+2) Dy+2 0.0 Dy
Dy(+3) Dy+3 0.0 Dy
E e- 0.0 0.0 0.0
Er Er+3 0.0 Er 167.26
Er(+2) Er+2 0.0 Er
Er(+3) Er+3 0.0 Er
#Ethylene C2H4 0.0 C2H4 28.0536
Eu Eu+3 0.0 Eu 151.965
Eu(+2) Eu+2 0.0 Eu
Eu(+3) Eu+3 0.0 Eu
F F- 0.0 F 18.9984
Fe Fe+2 0.0 Fe 55.847
Fe(+2) Fe+2 0.0 Fe
Fe(+3) Fe+3 -2.0 Fe
Ga Ga+3 0.0 Ga 69.723
Gd Gd+3 0.0 Gd 157.25
Gd(+2) Gd+2 0.0 Gd
Gd(+3) Gd+3 0.0 Gd
H H+ -1. H 1.0079
H(0) H2 0.0 H
H(+1) H+ -1. 0.0
He He 0.0 He 4.0026
He(0) He 0.0 He
Hf Hf+4 0.0 Hf 178.49
Hg Hg+2 0.0 Hg 200.59
Hg(+1) Hg2+2 0.0 Hg
Hg(+2) Hg+2 0.0 Hg
Ho Ho+3 0.0 Ho 164.9303
Ho(+2) Ho+2 0.0 Ho
Ho(+3) Ho+3 0.0 Ho
I I- 0.0 I 126.9045
I(-03) I3- 0 I
I(-1) I- 0.0 I
I(+1) IO- 0.0 I
I(+5) IO3- 0.0 I
I(+7) IO4- 0.0 I
In In+3 0.0 In 114.82
K K+ 0.0 K 39.0983
Kr Kr 0.0 Kr 83.80
Kr(0) Kr 0.0 Kr
La La+3 0.0 La 138.9055
La(2) La+2 0 La
La(3) La+3 0 La
Li Li+ 0.0 Li 6.9410
Lu Lu+3 0.0 Lu 174.967
Mg Mg+2 0.0 Mg 24.305
Mn Mn+2 0.0 Mn 54.938
Mn(+2) Mn+2 0.0 Mn
Mn(+3) Mn+3 0.0 Mn
Mn(+6) MnO4-2 0 Mn
Mn(+7) MnO4- 0 Mn
Mo MoO4-2 0.0 Mo 95.94
N NH3 1.0 N 14.0067
N(-3) NH3 1.0 N
N(-03) N3- 0.0 N
N(0) N2 0.0 N
N(+3) NO2- 0.0 N
N(+5) NO3- 0.0 N
Na Na+ 0.0 Na 22.9898
Nd Nd+3 0.0 Nd 144.24
Nd(+2) Nd+2 0.0 Nd
Nd(+3) Nd+3 0.0 Nd
Ne Ne 0.0 Ne 20.1797
#Ne(0) Ne 0.0 Ne
Ni Ni+2 0.0 Ni 58.69
Np Np+4 0.0 Np 237.048
Np(+3) Np+3 0.0 Np
Np(+4) Np+4 0.0 Np
Np(+5) NpO2+ 0.0 Np
Np(+6) NpO2+2 0.0 Np
O H2O 0.0 O 15.994
O(-2) H2O 0.0 0.0
O(0) O2 0.0 O
O_phthalate O_phthalate-2 0 1 1
P HPO4-2 2.0 P 30.9738
P(-3) PH4+ 0 P
P(5) HPO4-2 2.0 P
Pb Pb+2 0.0 Pb 207.20
Pb(+2) Pb+2 0.0 Pb
Pb(+4) Pb+4 0.0 Pb
Pd Pd+2 0.0 Pd 106.42
Pm Pm+3 0.0 Pm 147.00
Pm(+2) Pm+2 0.0 Pm
Pm(+3) Pm+3 0.0 Pm
Pr Pr+3 0.0 Pr 140.9076
Pr(+2) Pr+2 0.0 Pr
Pr(+3) Pr+3 0.0 Pr
Pu Pu+4 0.0 Pu 244.00
Pu(+3) Pu+3 0.0 Pu
Pu(+4) Pu+4 0.0 Pu
Pu(+5) PuO2+ 0.0 Pu
Pu(+6) PuO2+2 0.0 Pu
Ra Ra+2 0.0 Ra 226.025
Rb Rb+ 0.0 Rb 85.4678
Re ReO4- 0.0 Re 186.207
Rn Rn 0.0 Rn 222.00
Ru RuO4-2 0.0 Ru 101.07
Ru(+2) Ru+2 0.0 Ru
Ru(+3) Ru+3 0.0 Ru
Ru(+4) Ru(OH)2+2 0.0 Ru
Ru(+6) RuO4-2 0.0 Ru
Ru(+7) RuO4- 0.0 Ru
Ru(+8) RuO4 0.0 Ru
S SO4-2 0.0 SO4 32.066
S(-2) HS- 1.0 S
S(+2) S2O3-2 0.0 S
S(+3) S2O4-2 0.0 S
S(+4) SO3-2 0.0 S
S(+5) S2O5-2 0.0 S
S(+6) SO4-2 0.0 SO4
S(+7) S2O8-2 0.0 S
S(+8) HSO5- 0.0 S
Sb Sb(OH)3 0.0 Sb 121.75
Sc Sc+3 0.0 Sc 44.9559
Se SeO3-2 0.0 Se 78.96
Se(-2) HSe- 0.0 Se
Se(+4) SeO3-2 0.0 Se
Se(+6) SeO4-2 0.0 Se
Si SiO2 0.0 SiO2 28.0855
Sm Sm+3 0.0 Sm 150.36
Sm(+2) Sm+2 0.0 Sm
Sm(+3) Sm+3 0.0 Sm
Sn Sn+2 0.0 Sn 118.71
Sn(+2) Sn+2 0.0 Sn
Sn(+4) Sn+4 0.0 Sn
Sr Sr+2 0.0 Sr 87.62
Tb Tb+3 0.0 Tb 158.9253
Tb(+2) Tb+2 0.0 Tb
Tb(+3) Tb+3 0.0 Tb
Tc TcO4- 0.0 Tc 98.00
Tc(+3) Tc+3 0.0 Tc
Tc(+4) TcO+2 0.0 Tc
Tc(+5) TcO4-3 0.0 Tc
Tc(+6) TcO4-2 0.0 Tc
Tc(+7) TcO4- 0.0 Tc
Thiocyanate Thiocyanate- 0.0 SCN 58.
Th Th+4 0.0 Th 232.0381
Ti Ti(OH)4 0.0 Ti 47.88
Tl Tl+ 0.0 Tl 204.3833
Tl(+1) Tl+ 0.0 Tl
Tl(+3) Tl+3 0.0 Tl
Tm Tm+3 0.0 Tm 168.9342
Tm(+2) Tm+2 0.0 Tm
Tm(+3) Tm+3 0.0 Tm
U UO2+2 0.0 U 238.0289
U(+3) U+3 0.0 U
U(+4) U+4 0.0 U
U(+5) UO2+ 0.0 U
U(+6) UO2+2 0.0 U
V VO+2 0.0 V 50.9415
V(+3) V+3 0.0 V
V(+4) VO+2 0.0 V
V(+5) VO2+ 0.0 V
W WO4-2 0.0 W 183.85
Xe Xe 0.0 Xe 131.29
Xe(0) Xe 0.0 Xe
Y Y+3 0.0 Y 88.9059
Yb Yb+3 0.0 Yb 173.04
Yb(+2) Yb+2 0.0 Yb
Yb(+3) Yb+3 0.0 Yb
Zn Zn+2 0.0 Zn 65.39
Zr Zr(OH)2+2 0.0 Zr 91.224
SOLUTION_SPECIES
#HAcetate = HAcetate
# -llnl_gamma 3.0000
# log_k 0
# -delta_H 0 kJ/mol # Calculated enthalpy of reaction HAcetate
# Enthalpy of formation: -116.1 kcal/mol
CH3COO- = CH3COO-
-llnl_gamma 3.0000
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction CH3COO-
# Enthalpy of formation: -116.374 kcal/mol
Ag+ = Ag+
-llnl_gamma 2.5000
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 9.0000
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 5.0000
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 3.0000
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ar
# Enthalpy of formation: -2.87 kcal/mol
Au+ = Au+
-llnl_gamma 4.0000
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 3.0000
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 5.0000
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 8.0000
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 3.0000
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 6.0000
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 5.0000
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 9.0000
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 3.0000
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 6.0000
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 4.0000
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 2.5000
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 6.0000
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 5.0000
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 5.0000
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 3.0000
# 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 5.0000
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 3.5000
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 6.0000
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 5.0000
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 5.0000
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 9.0000
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction H+
# Enthalpy of formation: -0 kJ/mol
He = He
-llnl_gamma 3.0000
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction He
# Enthalpy of formation: -0.15 kcal/mol
H2AsO4- = H2AsO4-
-llnl_gamma 4.0000
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction H2AsO4-
# Enthalpy of formation: -217.39 kcal/mol
HCO3- = HCO3-
-llnl_gamma 4.0000
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 4.0000
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 5.0000
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 5.0000
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Ho+3
# Enthalpy of formation: -169 kcal/mol
I- = I-
-llnl_gamma 3.0000
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 9.0000
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction In+3
# Enthalpy of formation: -25 kcal/mol
K+ = K+
-llnl_gamma 3.0000
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction K+
# Enthalpy of formation: -60.27 kcal/mol
Kr = Kr
-llnl_gamma 3.0000
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 9.0000
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 6.0000
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 5.0000
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 8.0000
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 6.0000
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 4.5000
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 3.0000
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction NH3
# Enthalpy of formation: -19.44 kcal/mol
Na+ = Na+
-llnl_gamma 4.0000
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 9.0000
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 3.0000
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 6.0000
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 5.5000
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 3.0000
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 4.0000
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 4.5000
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 4.5000
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 9.0000
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 5.5000
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 5.0000
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 2.5000
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Rb+
# Enthalpy of formation: -60.02 kcal/mol
ReO4- = ReO4-
-llnl_gamma 4.0000
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction ReO4-
# Enthalpy of formation: -188.2 kcal/mol
Rn = Rn
-llnl_gamma 3.0000
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 4.0000
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 4.0000
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 3.0000
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 9.0000
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 4.0000
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 3.0000
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 9.0000
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 6.0000
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 5.0000
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 5.0000
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 4.0000
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 11.0000
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 3.0000
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 2.5000
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 5.0000
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 4.5000
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 4.5000
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 5.0000
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 3.0000
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 9.0000
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 5.0000
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 6.0000
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 4.5000
log_k 0
-delta_H 0 kJ/mol # Calculated enthalpy of reaction Zr(OH)2+2
# Enthalpy of formation: -260.717 kcal/mol
2H2O = O2 + 4H+ + 4e-
-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-03 -2.7655e+004 -1.4506e+001 199838.45
# -Range: 0-300
1.0000 SO4-- + 1.0000 H+ = HS- +2.0000 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+001 3.9525e-002 -4.5443e+004 -1.1107e+001 3.1843e+005
# -Range: 0-300
.5000 O2 + 2.0000 HS- = S2-- + H2O
#2 HS- = S2-- +2 H+ + 2e-
-llnl_gamma 4.0
log_k 33.2673
-delta_H 0 # Not possible to calculate enthalpy of reaction S2-2
# Enthalpy of formation: -0 kcal/mol
-analytic 0.21730E+02 -0.12307E-02 0.10098E+05 -0.88813E+01 0.15757E+03
-mass_balance S(-2)2
# -Range: 0-300
# -add_logk Log_K_O2 0.5
2.0000 H+ + 2.0000 SO3-- = S2O3-- + O2 + H2O
-llnl_gamma 4.0
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+02 0.65761E-01 -0.15438E+05 -0.34651E+02 -0.24092E+03
# -Range: 0-300
1.0000 H+ + 1.0000 Ag+ + 0.2500 O2 = Ag++ +0.5000 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+001 -1.5239e-002 -4.1954e+002 1.6622e+001 -6.5328e+000
# -Range: 0-300
1.0000 Am+++ + 0.5000 H2O = Am++ +1.0000 H+ +0.2500 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+001 3.5993e-003 -2.0987e+004 -2.4146e+000 -3.2749e+002
# -Range: 0-300
1.0000 H+ + 1.0000 Am+++ + 0.2500 O2 = Am++++ +0.5000 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 -1.7460e+001 -2.2336e-003 -3.5139e+003 2.9102e+000 -5.4826e+001
# -Range: 0-300
1.0000 H2O + 1.0000 Am+++ + 0.5000 O2 = AmO2+ +2.0000 H+
-llnl_gamma 4.0
log_k -15.384
-delta_H 104.345 kJ/mol # Calculated enthalpy of reaction AmO2+
# Enthalpy of formation: -804.26 kJ/mol
-analytic 1.4110e+001 6.9728e-003 -4.2098e+003 -6.0936e+000 -2.1192e+005
# -Range: 0-300
1.0000 Am+++ + 0.7500 O2 + 0.5000 H2O = AmO2++ +1.0000 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+001 4.0278e-003 -8.4633e+003 -2.0550e+001 -1.3208e+002
# -Range: 0-300
1.0000 H2AsO4- + 1.0000 H+ = AsH3 +2.0000 O2
-llnl_gamma 3.0
log_k -155.1907
-delta_H 931.183 kJ/mol # Calculated enthalpy of reaction AsH3
# Enthalpy of formation: 10.968 kcal/mol
-analytic 2.8310e+002 9.6961e-002 -5.4830e+004 -1.1449e+002 -9.3119e+002
# -Range: 0-200
2.0000 H+ + 1.0000 Au+ + 0.5000 O2 = Au+++ +1.0000 H2O
-llnl_gamma 5.0
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+001 -2.6838e-002 4.4549e+003 2.3178e+001 6.9534e+001
# -Range: 0-300
1.0000 H2O + 1.0000 B(OH)3 = BH4- +2.0000 O2 +1.0000 H+
-llnl_gamma 4.0
log_k -237.1028
-delta_H 1384.24 kJ/mol # Calculated enthalpy of reaction BH4-
# Enthalpy of formation: 48.131 kJ/mol
-analytic -7.4930e+001 -7.2794e-003 -6.9168e+004 2.9105e+001 -1.0793e+003
# -Range: 0-300
3.0000 Br- + 2.0000 H+ + 0.5000 O2 = Br3- +1.0000 H2O
-llnl_gamma 4.0
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+002 6.4017e-002 -3.3831e+002 -6.4596e+001 -5.3232e+000
# -Range: 0-300
1.0000 Br- + 0.5000 O2 = BrO-
-llnl_gamma 4.0
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+001 1.9509e-003 -4.2860e+003 -2.0799e+001 -6.6896e+001
# -Range: 0-300
1.5000 O2 + 1.0000 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+001 -4.7855e-003 -4.6208e+003 -1.4136e+001 -2.1385e+005
# -Range: 0-300
2.0000 O2 + 1.0000 Br- = BrO4-
-llnl_gamma 4.0
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+001 -2.3409e-003 -1.2290e+004 -2.9336e+001 -1.9180e+002
# -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 + 2.0000 O2
-llnl_gamma 3.0
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+02 0.36584E-01 -0.40675E+05 0.93479E+01 -0.63468E+03
# -Range: 0-300
2.0000 H+ + 2.0000 HCO3- + H2O = C2H6 + 3.5000 O2
-llnl_gamma 3.0
log_k -228.6072
-delta_H 0 # Not possible to calculate enthalpy of reaction C2H6
# Enthalpy of formation: -0 kcal/mol
-analytic 0.10777E+02 0.72105E-01 -0.67489E+05 -0.13915E+02 -0.10531E+04
# -Range: 0-300
2.000 H+ + 2.0000 HCO3- = C2H4 + 3.0000 O2
-llnl_gamma 3.0
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+02 0.71187E-01 -0.73140E+05 0.00000E+00 0.00000E+00
# -Range: 0-300
1.0000 HCO3- + 1.0000 H+ = CO +1.0000 H2O +0.5000 O2
-llnl_gamma 3.0
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+002 4.6877e-002 -1.8062e+004 -4.0263e+001 3.8031e+005
# -Range: 0-300
1.0000 Ce+++ + 0.5000 H2O = Ce++ +1.0000 H+ +0.2500 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
1.0000 H+ + 1.0000 Ce+++ + 0.2500 O2 = Ce++++ +0.5000 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
1.0000 Cl- + 0.5000 O2 = ClO-
-llnl_gamma 4.0
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+001 3.4812e-003 -6.0952e+003 -2.3043e+001 -9.5128e+001
# -Range: 0-300
1.0000 O2 + 1.0000 Cl- = ClO2-
-llnl_gamma 4.0
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+000 -6.1675e-003 -4.9726e+003 -2.0467e+000 -2.5769e+005
# -Range: 0-300
1.5000 O2 + 1.0000 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+001 -4.8281e-003 -4.6779e+003 -1.0772e+001 -2.0783e+005
# -Range: 0-300
2.0000 O2 + 1.0000 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 7.0280e+001 -6.8927e-005 -5.5690e+003 -2.6446e+001 -1.6596e+005
# -Range: 0-300
1.0000 H+ + 1.0000 Co++ + 0.2500 O2 = Co+++ +0.5000 H2O
-llnl_gamma 5.0
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+001 -1.2222e-002 -7.2117e+002 7.0306e+000 -1.1247e+001
# -Range: 0-300
4.0000 H+ + 1.0000 CrO4-- = Cr++ +2.0000 H2O +1.0000 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+001 6.2884e-002 -6.9847e+003 -3.4720e+001 -1.0901e+002
# -Range: 0-300
5.0000 H+ + 1.0000 CrO4-- = Cr+++ +2.5000 H2O +0.7500 O2
-llnl_gamma 9.0
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+001 6.0932e-002 5.4256e+003 -3.2290e+001 8.4645e+001
# -Range: 0-300
0.5000 H2O + 1.0000 CrO4-- = CrO4--- +1.0000 H+ +0.2500 O2
-llnl_gamma 4.0
log_k -19.7709
-delta_H 0 # Not possible to calculate enthalpy of reaction CrO4-3
# Enthalpy of formation: -0 kcal/mol
1.0000 Cu++ + 0.5000 H2O = Cu+ +1.0000 H+ +0.2500 O2
-llnl_gamma 4.0
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+001 1.3731e-002 -8.1506e+003 -1.3508e+001 -1.2719e+002
# -Range: 0-300
1.0000 Dy+++ + 0.5000 H2O = Dy++ +1.0000 H+ +0.2500 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
1.0000 Er+++ + 0.5000 H2O = Er++ +1.0000 H+ +0.2500 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
1.0000 Eu+++ + 0.5000 H2O = Eu++ +1.0000 H+ +0.2500 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 3.0300e+001 1.4126e-002 -1.2319e+004 -9.0585e+000 1.5289e+005
# -Range: 0-300
1.0000 H+ + 1.0000 Fe++ + 0.2500 O2 = Fe+++ +0.5000 H2O
-llnl_gamma 9.0
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+001 -1.1753e-002 4.7609e+003 5.5866e+000 7.4295e+001
# -Range: 0-300
1.0000 Gd+++ + 0.5000 H2O = Gd++ +1.0000 H+ +0.2500 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
1.0000 H2O = H2 +0.5000 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+001 1.7172e-002 -1.8849e+004 -2.4092e+001 4.2501e+005
# -Range: 0-300
1.0000 H2AsO4- = H2AsO3- +0.5000 O2
-llnl_gamma 4.0
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+001 1.4885e-002 -1.4218e+004 -2.6403e+001 3.3822e+005
# -Range: 0-300
1.0000 SO4-- + 1.0000 H+ + 0.5000 O2 = HSO5-
-llnl_gamma 4.0
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+001 3.0904e-002 -7.7494e+003 -2.4420e+001 -1.2094e+002
# -Range: 0-300
1.0000 SeO3-- + 1.0000 H+ = HSe- +1.5000 O2
-llnl_gamma 4.0
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+001 4.3116e-002 -2.6949e+004 -1.9895e+001 2.5305e+005
# -Range: 0-300
2.0000 Hg++ + 1.0000 H2O = Hg2++ +2.0000 H+ +0.5000 O2
-llnl_gamma 4.0
log_k -12.208
-delta_H 106.261 kJ/mol # Calculated enthalpy of reaction Hg2+2
# Enthalpy of formation: 39.87 kcal/mol
-analytic 5.5010e+001 1.9050e-002 -4.7967e+003 -2.2952e+001 -7.4864e+001
# -Range: 0-300
1.0000 Ho+++ + 0.5000 H2O = Ho++ +1.0000 H+ +0.2500 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
3.0000 I- + 2.0000 H+ + 0.5000 O2 = I3- +1.0000 H2O
-llnl_gamma 4.0
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+002 6.6206e-002 5.7407e+003 -6.5517e+001 8.9535e+001
# -Range: 0-300
1.0000 I- + 0.5000 O2 = IO-
-llnl_gamma 4.0
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+000 -5.5671e-003 3.2484e+003 -3.9065e+000 -2.8800e+005
# -Range: 0-300
1.5000 O2 + 1.0000 I- = IO3-
-llnl_gamma 4.0
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+001 -1.3478e-002 9.5977e+003 6.6010e+000 -3.4371e+005
# -Range: 0-300
2.0000 O2 + 1.0000 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+001 -7.8107e-003 3.5803e+003 -8.5272e+000 -2.5422e+005
# -Range: 0-300
1.0000 La+++ + 0.5000 H2O = La++ +1.0000 H+ +0.2500 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
1.0000 Mn++ + 1.0000 H+ + 0.2500 O2 = Mn+++ +0.5000 H2O
-llnl_gamma 5.0
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+001 1.7458e-002 2.0757e+003 -2.2274e+001 3.2378e+001
# -Range: 0-300
2.0000 H2O + 1.0000 O2 + 1.0000 Mn++ = MnO4-- +4.0000 H+
-llnl_gamma 4.0
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+001 -4.6464e-002 -1.0515e+004 1.0943e+001 -1.6408e+002
# -Range: 0-300
2.0000 NH3 + 1.5000 O2 = N2 +3.0000 H2O
-llnl_gamma 3.0
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+001 -1.4671e-002 4.0068e+004 2.9090e+001 -2.5924e+005
# -Range: 0-300
3.0000 NH3 + 2.0000 O2 = N3- +4.0000 H2O +1.0000 H+
-llnl_gamma 4.0
log_k +96.9680
-delta_H -599.935 kJ/mol # Calculated enthalpy of reaction N3-
# Enthalpy of formation: 275.14 kJ/mol
-analytic -9.1080e+001 -4.0817e-002 3.6350e+004 3.4484e+001 -6.2678e+005
# -Range: 0-300
1.5000 O2 + 1.0000 NH3 = NO2- +1.0000 H+ +1.0000 H2O
-llnl_gamma 3.0
log_k +46.8653
-delta_H -290.901 kJ/mol # Calculated enthalpy of reaction NO2-
# Enthalpy of formation: -25 kcal/mol
-analytic -1.7011e+001 -3.3459e-002 1.3999e+004 1.1078e+001 -4.8255e+004
# -Range: 0-300
2.0000 O2 + 1.0000 NH3 = NO3- +1.0000 H+ +1.0000 H2O
-llnl_gamma 3.0
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+001 -3.9697e-002 2.0614e+004 1.8872e+001 -2.1917e+005
# -Range: 0-300
1.0000 Nd+++ + 0.5000 H2O = Nd++ +1.0000 H+ +0.2500 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
1.0000 Np++++ + 0.5000 H2O = Np+++ +1.0000 H+ +0.2500 O2
-llnl_gamma 5.0
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+001 2.4645e-003 -8.9343e+003 -2.5829e+000 -1.3942e+002
# -Range: 0-300
1.5000 H2O + 1.0000 Np++++ + 0.2500 O2 = NpO2+ +3.0000 H+
-llnl_gamma 4.0
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+001 7.5467e-003 1.6921e+003 -2.7125e+000 -2.8381e+005
# -Range: 0-300
1.0000 Np++++ + 1.0000 H2O + 0.5000 O2 = NpO2++ +2.0000 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 2.5510e+001 1.1973e-003 1.2753e+003 -6.7082e+000 -2.0792e+005
# -Range: 0-300
2.0000 H+ + 1.0000 Pb++ + 0.5000 O2 = Pb++++ +1.0000 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
1.0000 Pm+++ + 0.5000 H2O = Pm++ +1.0000 H+ +0.2500 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
1.0000 Pr+++ + 0.5000 H2O = Pr++ +1.0000 H+ +0.2500 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
1.0000 Pu++++ + 0.5000 H2O = Pu+++ +1.0000 H+ +0.2500 O2
-llnl_gamma 5.0
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+001 3.2688e-003 -4.7434e+003 -4.1907e+000 1.2944e+004
# -Range: 0-300
1.5000 H2O + 1.0000 Pu++++ + 0.2500 O2 = PuO2+ +3.0000 H+
-llnl_gamma 4.0
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+001 2.8265e-003 1.2131e+003 9.2156e+000 -3.8400e+005
# -Range: 0-300
1.0000 Pu++++ + 1.0000 H2O + 0.5000 O2 = PuO2++ +2.0000 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+001 2.5202e-003 -2.4760e+002 -1.0120e+001 -1.7569e+005
# -Range: 0-300
4.0000 H+ + 1.0000 RuO4-- = Ru(OH)2++ +1.0000 H2O +0.5000 O2
-llnl_gamma 4.5
log_k +25.2470
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2+2
# Enthalpy of formation: -0 kcal/mol
4.0000 H+ + 1.0000 RuO4-- = Ru++ +2.0000 H2O +1.0000 O2
-llnl_gamma 4.5
log_k +0.1610
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru+2
# Enthalpy of formation: -0 kcal/mol
5.0000 H+ + 1.0000 RuO4-- = Ru+++ +2.5000 H2O +0.7500 O2
-llnl_gamma 5.0
log_k +17.6149
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru+3
# Enthalpy of formation: -0 kcal/mol
2.0000 H+ + 1.0000 RuO4-- + 0.5000 O2 = RuO4 +1.0000 H2O
-llnl_gamma 3.0
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+002 6.8286e-002 -1.2020e+003 -8.0706e+001 -2.0481e+001
# -Range: 0-200
1.0000 RuO4-- + 1.0000 H+ + 0.2500 O2 = RuO4- +0.5000 H2O
-llnl_gamma 4.0
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+000 8.8623e-003 1.8588e+003 1.8998e+000 2.9005e+001
# -Range: 0-300
2.0000 H+ + 2.0000 SO3-- = S2O4-- + .500 O2 + H2O
-llnl_gamma 5.0
# 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-
2SO3-- = S2O6-- + 2e-
-llnl_gamma 4.0
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+03 0.61449E-01 0.71877E+04 -0.58657E+02 0.11211E+03
# -Range: 0-300
-add_logk Log_K_O2 0.5
2.0000 SO3-- + 1.500 O2 + 2.0000 H+ = S2O8-- + H2O
-llnl_gamma 4.0
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+03 0.60414E-01 0.13864E+05 -0.71804E+02 0.21628E+03
# -Range: 0-300
O2 + H+ + 3.0000 HS- = S3-- + 2.0000 H2O
# 2H2O = O2 + 4H+ + 4e-
#3HS- = S3-- + 3H+ + 4e-
-llnl_gamma 4.0
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+02 0.70208E-02 0.31797E+05 0.11927E+02 -0.64249E+06
-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
3SO3-- + 6 H+ + 2e- = S3O6-- + 3H2O
-llnl_gamma 4.0
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+03 0.12702E+00 -0.10110E+05 -0.99715E+02 -0.15783E+03
# -Range: 0-300
-add_logk Log_K_O2 -0.5
1.5000 O2 + 2.0000 H+ + 4.0000 HS- = S4-- + 3.0000 H2O
#4 HS- = S4-- + 4H+ + 6e-
-llnl_gamma 4.0
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+03 0.58133E-01 0.33278E+05 -0.85833E+02 0.51921E+03
-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-- + 12 H+ + 6e- = S4O6-- + 6H2O
-llnl_gamma 4.0
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+03 0.19555E+00 -0.23617E+05 -0.13729E+03 -0.36862E+03
# -Range: 0-300
-add_logk Log_K_O2 -1.5
2.0000 O2 + 3.0000 H+ + 5.0000 HS- = S5-- + 4.0000 H2O
#5 HS- = S5-- + 5H+ + 8e-
-llnl_gamma 4.0
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+03 0.88033E-01 0.44739E+05 -0.12471E+03 0.69803E+03
-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
5SO3-- + 18H+ + 10e- = S5O6-- + 9H2O
-llnl_gamma 4.0
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+03 0.25833E+00 -0.43878E+05 -0.18178E+03 -0.68480E+03
# -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 0.0
1.0000 SO4-- = SO3-- +0.5000 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+001 6.5102e-004 -1.3330e+004 4.7164e+000 -2.0800e+002
# -Range: 0-300
1.0000 HSe- = Se-- + 1.0000 H+
-llnl_gamma 4.0
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+002 3.1346e-002 -5.4190e+003 -4.3871e+001 -8.4589e+001
# -Range: 0-300
1.0000 SeO3-- + 0.5000 O2 = SeO4--
-llnl_gamma 4.0
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+001 -1.3657e-002 8.6969e+003 2.6182e+001 -3.1897e+005
# -Range: 0-300
1.0000 Sm+++ + 0.5000 H2O = Sm++ +1.0000 H+ +0.2500 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+001 7.7548e-003 -1.6285e+004 5.4711e+000 9.1931e+004
# -Range: 0-300
2.0000 H+ + 1.0000 Sn++ + 0.5000 O2 = Sn++++ +1.0000 H2O
-llnl_gamma 11.0
log_k +37.7020
-delta_H -240.739 kJ/mol # Calculated enthalpy of reaction Sn+4
# Enthalpy of formation: 7.229 kcal/mol
-analytic 3.2053e+001 -9.2307e-003 1.0378e+004 -1.0666e+001 1.6193e+002
# -Range: 0-300
1.0000 Tb+++ + 0.5000 H2O = Tb++ +1.0000 H+ +0.2500 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
4.0000 H+ + 1.0000 TcO4- = Tc+++ +2.0000 H2O +1.0000 O2
-llnl_gamma 5.0
log_k -47.614
-delta_H 0 # Not possible to calculate enthalpy of reaction Tc+3
# Enthalpy of formation: -0 kcal/mol
3.0000 H+ + 1.0000 TcO4- = TcO++ +1.5000 H2O +0.7500 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
1.0000 TcO4- + 0.5000 H2O = TcO4-- +1.0000 H+ +0.2500 O2
-llnl_gamma 4.0
log_k -31.8197
-delta_H 0 # Not possible to calculate enthalpy of reaction TcO4-2
# Enthalpy of formation: -0 kcal/mol
1.0000 TcO4- + 1.0000 H2O = TcO4--- +2.0000 H+ +0.5000 O2
-llnl_gamma 4.0
log_k -63.2889
-delta_H 0 # Not possible to calculate enthalpy of reaction TcO4-3
# Enthalpy of formation: -0 kcal/mol
2.0000 H+ + 1.0000 Tl+ + 0.5000 O2 = Tl+++ +1.0000 H2O
-llnl_gamma 5.0
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+001 -2.6430e-002 5.3106e+003 2.3340e+001 8.2887e+001
# -Range: 0-300
1.0000 Tm+++ + 0.5000 H2O = Tm++ +1.0000 H+ +0.2500 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
1.0000 UO2++ + 1.0000 H+ = U+++ +0.7500 O2 +0.5000 H2O
-llnl_gamma 5.0
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+001 6.4088e-003 -2.2542e+004 -8.1423e+000 3.4793e+005
# -Range: 0-300
2.0000 H+ + 1.0000 UO2++ = U++++ +1.0000 H2O +0.5000 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+001 1.0129e-002 -1.1787e+004 -1.9194e+001 4.6436e+005
# -Range: 0-300
1.0000 UO2++ + 0.5000 H2O = UO2+ +1.0000 H+ +0.2500 O2
-llnl_gamma 4.0
log_k -20.0169
-delta_H 133.759 kJ/mol # Calculated enthalpy of reaction UO2+
# Enthalpy of formation: -1025.13 kJ/mol
-analytic 8.0480e+000 9.5845e-003 -6.5994e+003 -3.5515e+000 -1.0298e+002
# -Range: 0-300
1.0000 VO++ + 1.0000 H+ = V+++ +0.5000 H2O +0.2500 O2
-llnl_gamma 5.0
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+001 1.1963e-002 -4.2112e+003 -8.6126e+000 -6.5717e+001
# -Range: 0-300
1.0000 VO++ + 0.5000 H2O + 0.2500 O2 = VO2+ +1.0000 H+
-llnl_gamma 4.0
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+000 5.3936e-003 1.2240e+003 -1.2539e+000 1.9098e+001
# -Range: 0-300
1.0000 VO2+ + 2.0000 H2O = VO4--- +4.0000 H+
-llnl_gamma 4.0
log_k -28.4475
-delta_H 0 # Not possible to calculate enthalpy of reaction VO4-3
# Enthalpy of formation: -0 kcal/mol
1.0000 Yb+++ + 0.5000 H2O = Yb++ +1.0000 H+ +0.2500 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+000 9.5995e-003 -1.3833e+004 1.0723e+000 3.1365e+004
# -Range: 0-300
2.0000 H+ + 1.0000 Zr(OH)2++ = Zr++++ +2.0000 H2O
-llnl_gamma 11.0
log_k +0.2385
-delta_H 0 # Not possible to calculate enthalpy of reaction Zr+4
# Enthalpy of formation: -0 kcal/mol
4.0000 HS- + 4.0000 H+ + 2.0000 Sb(OH)3 + 2.0000 NH3 = (NH4)2Sb2S4 +6.0000 H2O
-llnl_gamma 3.0
log_k +67.6490
-delta_H -424.665 kJ/mol # Calculated enthalpy of reaction (NH4)2Sb2S4
# Enthalpy of formation: -484.321 kJ/mol
-analytic -3.9259e+002 -1.1727e-001 3.2073e+004 1.5667e+002 5.4478e+002
# -Range: 0-200
2.0000 NpO2++ + 2.0000 H2O = (NpO2)2(OH)2++ +2.0000 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+001 -3.1413e-002 -2.1954e+003 2.3355e+001 -3.7424e+001
# -Range: 25-150
5.0000 H2O + 3.0000 NpO2++ = (NpO2)3(OH)5+ +5.0000 H+
-llnl_gamma 4.0
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+002 9.1693e-002 -2.4404e+004 -2.0349e+002 -4.1639e+002
# -Range: 25-150
2.0000 PuO2++ + 2.0000 H2O = (PuO2)2(OH)2++ +2.0000 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+001 -1.6194e-003 -5.9542e+003 -2.1522e+001 -9.2929e+001
# -Range: 0-300
5.0000 H2O + 3.0000 PuO2++ = (PuO2)3(OH)5+ +5.0000 H+
-llnl_gamma 4.0
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+002 5.8182e-003 -1.4002e+004 -5.5745e+001 -2.1854e+002
# -Range: 0-300
4.0000 H2O + 2.0000 TcO++ = (TcO(OH)2)2 +4.0000 H+
-llnl_gamma 3.0
log_k -0.1271
-delta_H 0 # Not possible to calculate enthalpy of reaction (TcO(OH)2)2
# Enthalpy of formation: -0 kcal/mol
12.0000 H2O + 11.0000 UO2++ + 6.0000 HCO3- = (UO2)11(CO3)6(OH)12-2 +18.0000 H+
-llnl_gamma 4.0
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
2.0000 UO2++ + 2.0000 H2O = (UO2)2(OH)2++ +2.0000 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+001 -7.6875e-004 -4.8433e+003 -2.1689e+001 -7.5593e+001
# -Range: 0-300
3.0000 H2O + 2.0000 UO2++ + 1.0000 HCO3- = (UO2)2CO3(OH)3- +4.0000 H+
-llnl_gamma 4.0
log_k -11.2229
-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)2CO3(OH)3-
# Enthalpy of formation: -0 kcal/mol
2.0000 UO2++ + 1.0000 H2O = (UO2)2OH+++ +1.0000 H+
-llnl_gamma 5.0
log_k -2.7072
-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)2OH+3
# Enthalpy of formation: -0 kcal/mol
6.0000 HCO3- + 3.0000 UO2++ = (UO2)3(CO3)6-6 +6.0000 H+
-llnl_gamma 4.0
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+002 2.7299e-001 -1.7614e+004 -3.1149e+002 -2.7507e+002
# -Range: 0-300
4.0000 H2O + 3.0000 UO2++ = (UO2)3(OH)4++ +4.0000 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
5.0000 H2O + 3.0000 UO2++ = (UO2)3(OH)5+ +5.0000 H+
-llnl_gamma 4.0
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+002 7.0827e-003 -1.1700e+004 -5.5973e+001 -1.8261e+002
# -Range: 0-300
4.0000 H2O + 3.0000 UO2++ + 1.0000 HCO3- = (UO2)3(OH)5CO2+ +4.0000 H+
-llnl_gamma 4.0
log_k -9.6194
-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)5CO2+
# Enthalpy of formation: -0 kcal/mol
7.0000 H2O + 3.0000 UO2++ = (UO2)3(OH)7- +7.0000 H+
-llnl_gamma 4.0
log_k -31.0508
-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)7-
# Enthalpy of formation: -0 kcal/mol
3.0000 UO2++ + 3.0000 H2O + 1.0000 HCO3- = (UO2)3O(OH)2(HCO3)+ +4.0000 H+
-llnl_gamma 4.0
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
7.0000 H2O + 4.0000 UO2++ = (UO2)4(OH)7+ +7.0000 H+
-llnl_gamma 4.0
log_k -21.9508
-delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)4(OH)7+
# Enthalpy of formation: -0 kcal/mol
2.0000 VO++ + 2.0000 H2O = (VO)2(OH)2++ +2.0000 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
CH3COO- + H+ = CH3COOH
-llnl_gamma 4.5
log_k 4.7572
-delta_H 0 # Not possible to calculate enthalpy of reaction CH3COOH
# Enthalpy of formation: -0 kcal/mol
-analytic 0.96597E+02 0.34535E-01 -0.19753E+04 -0.38593E+02 -0.30850E+02
# -Range: 0-300
H+ + 2.000 HCO3- = CH3COO- + 2.0000 O2
-llnl_gamma 4.5
log_k -146.7494
-delta_H 0 # Not possible to calculate enthalpy of reaction CH3COO-
# Enthalpy of formation: -0 kcal/mol
-analytic -1.3108E+03 -2.3248E-01 -4.5380E+01 4.9843E+02 6.5945E-01
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Ag+ = Ag(CH3COO)2- +2.0000 H+
-llnl_gamma 4.0
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+002 -5.3713e-002 9.5343e+003 1.0396e+002 1.4886e+002
# -Range: 0-300
2.0000 HCO3- + 1.0000 Ag+ = Ag(CO3)2--- +2.0000 H+
-llnl_gamma 4.0
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+002 -4.5571e-002 3.7190e+003 6.0341e+001 5.8080e+001
# -Range: 0-300
1.0000 Ag+ + 1.0000 CH3COOH = AgCH3COO +1.0000 H+
-llnl_gamma 3.0
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+000 -1.9415e-003 -1.9953e+003 -2.6175e+000 2.5092e+005
# -Range: 0-300
1.0000 HCO3- + 1.0000 Ag+ = AgCO3- +1.0000 H+
-llnl_gamma 4.0
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+000 -1.6477e-004 -4.7079e+002 -5.0807e+000 -7.3484e+000
# -Range: 0-300
1.0000 Cl- + 1.0000 Ag+ = AgCl
-llnl_gamma 3.0
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+002 3.5492e-002 -1.8455e+003 -4.4502e+001 -2.8830e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Ag+ = AgCl2-
-llnl_gamma 4.0
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+001 4.0261e-002 -1.6597e+002 -3.9721e+001 -2.6171e+000
# -Range: 0-300
3.0000 Cl- + 1.0000 Ag+ = AgCl3--
-llnl_gamma 4.0
log_k +5.1310
-delta_H -47.7645 kJ/mol # Calculated enthalpy of reaction AgCl3-2
# Enthalpy of formation: -105.94 kcal/mol
-analytic 4.3732e+000 2.9568e-002 3.9818e+003 -8.6428e+000 6.2131e+001
# -Range: 0-300
4.0000 Cl- + 1.0000 Ag+ = AgCl4---
-llnl_gamma 4.0
log_k +3.8050
-delta_H -32.4804 kJ/mol # Calculated enthalpy of reaction AgCl4-3
# Enthalpy of formation: -142.22 kcal/mol
-analytic -1.6176e+001 2.9523e-002 0.0000e+000 0.0000e+000 9.9602e+005
# -Range: 0-300
1.0000 F- + 1.0000 Ag+ = AgF
-llnl_gamma 3.0
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+001 -2.2350e-002 1.9514e+003 2.6663e+001 3.3160e+001
# -Range: 0-200
1.0000 NO3- + 1.0000 Ag+ = AgNO3
-llnl_gamma 3.0
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+001 2.6050e-002 -1.5923e+003 -3.0904e+001 -2.4868e+001
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Al+++ = Al(CH3COO)2+ +2.0000 H+
-llnl_gamma 4.0
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+001 2.1431e-003 3.1658e+002 1.1585e+001 5.8604e+005
# -Range: 0-300
2.0000 H2O + 1.0000 Al+++ = Al(OH)2+ +2.0000 H+
-llnl_gamma 4.0
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+001 2.0168e-002 -5.5455e+003 -1.6987e+001 -8.6545e+001
# -Range: 0-300
2.0000 SO4-- + 1.0000 Al+++ = Al(SO4)2-
-llnl_gamma 4.0
log_k +4.9000
-delta_H 0 # Not possible to calculate enthalpy of reaction Al(SO4)2-
# Enthalpy of formation: -0 kcal/mol
28.0000 H2O + 13.0000 Al+++ = Al13O4(OH)24+7 +32.0000 H+
-llnl_gamma 6.0
log_k -98.73
-delta_H 0 # Not possible to calculate enthalpy of reaction Al13O4(OH)24+7
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 2.0000 Al+++ = Al2(OH)2++++ +2.0000 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
4.0000 H2O + 3.0000 Al+++ = Al3(OH)4+5 +4.0000 H+
-llnl_gamma 6.0
log_k -13.8803
-delta_H 0 # Not possible to calculate enthalpy of reaction Al3(OH)4+5
# Enthalpy of formation: -0 kcal/mol
1.0000 Al+++ + 1.0000 CH3COOH = AlCH3COO++ +1.0000 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+001 2.0058e-003 -2.3653e+002 5.5454e+000 3.2362e+005
# -Range: 0-300
1.0000 F- + 1.0000 Al+++ = AlF++
-llnl_gamma 4.5
log_k +7.0000
-delta_H 0 # Not possible to calculate enthalpy of reaction AlF+2
# Enthalpy of formation: -0 kcal/mol
2.0000 F- + 1.0000 Al+++ = AlF2+
-llnl_gamma 4.0
log_k +12.6000
-delta_H 0 # Not possible to calculate enthalpy of reaction AlF2+
# Enthalpy of formation: -0 kcal/mol
3.0000 F- + 1.0000 Al+++ = AlF3
-llnl_gamma 3.0
log_k +16.7000
-delta_H 0 # Not possible to calculate enthalpy of reaction AlF3
# Enthalpy of formation: -0 kcal/mol
4.0000 F- + 1.0000 Al+++ = AlF4-
-llnl_gamma 4.0
log_k +19.1000
-delta_H 0 # Not possible to calculate enthalpy of reaction AlF4-
# Enthalpy of formation: -0 kcal/mol
1.0000 HPO4-- + 1.0000 H+ + 1.0000 Al+++ = AlH2PO4++
-llnl_gamma 4.5
log_k +3.1000
-delta_H 0 # Not possible to calculate enthalpy of reaction AlH2PO4+2
# Enthalpy of formation: -0 kcal/mol
1.0000 HPO4-- + 1.0000 Al+++ = AlHPO4+
-llnl_gamma 4.0
log_k +7.4000
-delta_H 0 # Not possible to calculate enthalpy of reaction AlHPO4+
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 Al+++ = AlO2- +4.0000 H+
-llnl_gamma 4.0
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+001 -3.4379e-003 -9.7391e+003 0.0000e+000 0.0000e+000
# -Range: 0-300
1.0000 H2O + 1.0000 Al+++ = AlOH++ +1.0000 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-001 8.8816e-003 -1.8686e+003 -4.3195e-001 -2.9158e+001
# -Range: 0-300
1.0000 SO4-- + 1.0000 Al+++ = AlSO4+
-llnl_gamma 4.0
log_k +3.0100
-delta_H 0 # Not possible to calculate enthalpy of reaction AlSO4+
# Enthalpy of formation: -0 kcal/mol
2.0000 HCO3- + 1.0000 Am+++ = Am(CO3)2- +2.0000 H+
-llnl_gamma 4.0
log_k -8.3868
-delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)2-
# Enthalpy of formation: -0 kcal/mol
3.0000 HCO3- + 1.0000 Am+++ = Am(CO3)3--- +3.0000 H+
-llnl_gamma 4.0
log_k -15.8302
-delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)3-3
# Enthalpy of formation: -0 kcal/mol
5.0000 HCO3- + 1.0000 Am++++ = Am(CO3)5-6 +5.0000 H+
-llnl_gamma 4.0
log_k -12.409
-delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)5-6
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 Am+++ = Am(OH)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -14.1145
-delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)2+
# Enthalpy of formation: -0 kcal/mol
3.0000 H2O + 1.0000 Am+++ = Am(OH)3 +3.0000 H+
-llnl_gamma 3.0
log_k -25.7218
-delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 Am+++ = Am(SO4)2-
-llnl_gamma 4.0
log_k +5.2407
-delta_H 0 # Not possible to calculate enthalpy of reaction Am(SO4)2-
# Enthalpy of formation: -0 kcal/mol
1.0000 HCO3- + 1.0000 Am+++ = AmCO3+ +1.0000 H+
-llnl_gamma 4.0
log_k -2.5434
-delta_H 0 # Not possible to calculate enthalpy of reaction AmCO3+
# Enthalpy of formation: -0 kcal/mol
1.0000 Cl- + 1.0000 Am+++ = AmCl++
-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
1.0000 F- + 1.0000 Am+++ = AmF++
-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
2.0000 F- + 1.0000 Am+++ = AmF2+
-llnl_gamma 4.0
log_k +5.7204
-delta_H 0 # Not possible to calculate enthalpy of reaction AmF2+
# Enthalpy of formation: -0 kcal/mol
1.0000 HPO4-- + 1.0000 H+ + 1.0000 Am+++ = AmH2PO4++
-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
1.0000 N3- + 1.0000 Am+++ = AmN3++
-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
1.0000 NO3- + 1.0000 Am+++ = AmNO3++
-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
1.0000 H2O + 1.0000 Am+++ = AmOH++ +1.0000 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
1.0000 SO4-- + 1.0000 Am+++ = AmSO4+
-llnl_gamma 4.0
log_k +3.7703
-delta_H 0 # Not possible to calculate enthalpy of reaction AmSO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 H2AsO3- + 1.0000 H+ = As(OH)3
-llnl_gamma 3.0
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 1.3020e+002 4.7513e-002 -1.1999e+003 -5.2993e+001 -2.0422e+001
# -Range: 0-200
1.0000 H2AsO3- = AsO2- +1.0000 H2O
-llnl_gamma 4.0
log_k 0.0111
-delta_H 0 # Not possible to calculate enthalpy of reaction AsO2-
# Enthalpy of formation: -0 kcal/mol
-analytic -2.1509e+001 -1.7680e-002 -1.9261e+001 1.0841e+001 -2.9404e-001
# -Range: 0-300
1.0000 H2AsO3- = AsO2OH-- +1.0000 H+
-llnl_gamma 4.0
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+002 1.8620e-002 -6.8596e+003 -5.5222e+001 -1.0708e+002
# -Range: 0-300
1.0000 H2AsO4- + 1.0000 F- = AsO3F-- +1.0000 H2O
-llnl_gamma 4.0
log_k +40.2451
-delta_H 0 # Not possible to calculate enthalpy of reaction AsO3F-2
# Enthalpy of formation: -0 kcal/mol
1.0000 H2AsO4- = AsO4--- +2.0000 H+
-llnl_gamma 4.0
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+001 -1.2761e-002 2.8369e+003 3.4878e+000 -6.8736e+005
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Au+ = Au(CH3COO)2- +2.0000 H+
-llnl_gamma 4.0
log_k -9.0013
-delta_H -8.91192 kJ/mol # Calculated enthalpy of reaction Au(CH3COO)2-
# Enthalpy of formation: -186.75 kcal/mol
-analytic -2.2338e+002 -4.6312e-002 7.0942e+003 8.2606e+001 1.1076e+002
# -Range: 0-300
1.0000 Au+ + 1.0000 CH3COOH = AuCH3COO +1.0000 H+
-llnl_gamma 3.0
log_k -4.3174
-delta_H 0.87864 kJ/mol # Calculated enthalpy of reaction AuCH3COO
# Enthalpy of formation: -68.31 kcal/mol
-analytic -1.1812e+000 -4.1120e-003 -1.4752e+003 4.5665e-001 1.7019e+005
# -Range: 0-300
2.0000 B(OH)3 = B2O(OH)5- +1.0000 H+
-llnl_gamma 4.0
log_k -18.6851
-delta_H 0 # Not possible to calculate enthalpy of reaction B2O(OH)5-
# Enthalpy of formation: -0 kcal/mol
2.0000 F- + 1.0000 H+ + 1.0000 B(OH)3 = BF2(OH)2- +1.0000 H2O
-llnl_gamma 4.0
log_k +6.6174
-delta_H 0 # Not possible to calculate enthalpy of reaction BF2(OH)2-
# Enthalpy of formation: -0 kcal/mol
3.0000 F- + 2.0000 H+ + 1.0000 B(OH)3 = BF3OH- +2.0000 H2O
-llnl_gamma 4.0
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+002 -3.7303e-002 -8.6507e+003 -1.1345e+002 -1.3508e+002
# -Range: 0-300
4.0000 F- + 3.0000 H+ + 1.0000 B(OH)3 = BF4- +3.0000 H2O
-llnl_gamma 4.0
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+002 1.0443e-001 -3.3332e+003 -1.0378e+002 -5.2087e+001
# -Range: 0-300
1.0000 B(OH)3 = BO2- +1.0000 H+ +1.0000 H2O
-llnl_gamma 4.0
log_k -9.2449
-delta_H 16.3302 kJ/mol # Calculated enthalpy of reaction BO2-
# Enthalpy of formation: -184.6 kcal/mol
-analytic -1.0500e+002 -3.3447e-002 1.4706e+003 4.0724e+001 2.2978e+001
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Ba++ = Ba(CH3COO)2 +2.0000 H+
-llnl_gamma 3.0
log_k -8.0118
-delta_H 11.255 kJ/mol # Calculated enthalpy of reaction Ba(CH3COO)2
# Enthalpy of formation: -358.01 kcal/mol
-analytic -1.4566e+001 3.1394e-004 -3.9564e+003 5.1906e+000 6.1407e+005
# -Range: 0-300
1.0000 O_phthalate-2 + 1.0000 Ba++ = Ba(O_phthalate)
-llnl_gamma 3.0
log_k +2.3300
-delta_H 0 # Not possible to calculate enthalpy of reaction Ba(O_phthalate)
# Enthalpy of formation: -0 kcal/mol
1.0000 H2O + 1.0000 Ba++ + 1.0000 B(OH)3 = BaB(OH)4+ +1.0000 H+
-llnl_gamma 4.0
log_k -7.8012
-delta_H 0 # Not possible to calculate enthalpy of reaction BaB(OH)4+
# Enthalpy of formation: -0 kcal/mol
1.0000 Ba++ + 1.0000 CH3COOH = BaCH3COO+ +1.0000 H+
-llnl_gamma 4.0
log_k -3.7677
-delta_H 7.322 kJ/mol # Calculated enthalpy of reaction BaCH3COO+
# Enthalpy of formation: -242.85 kcal/mol
-analytic -1.5623e+001 2.9282e-003 -3.9534e+002 4.3959e+000 1.2829e+005
# -Range: 0-300
1.0000 HCO3- + 1.0000 Ba++ = BaCO3 +1.0000 H+
-llnl_gamma 3.0
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+002 5.2368e-002 -8.2472e+003 -8.6644e+001 -1.2875e+002
# -Range: 0-300
1.0000 Cl- + 1.0000 Ba++ = BaCl+
-llnl_gamma 4.0
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+002 4.2325e-002 -2.8039e+003 -4.6010e+001 -4.3785e+001
# -Range: 0-300
1.0000 F- + 1.0000 Ba++ = BaF+
-llnl_gamma 4.0
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+002 4.0336e-002 -2.5195e+003 -4.3334e+001 -3.9346e+001
# -Range: 0-300
1.0000 NO3- + 1.0000 Ba++ = BaNO3+
-llnl_gamma 4.0
log_k +0.9000
-delta_H 0 # Not possible to calculate enthalpy of reaction BaNO3+
# Enthalpy of formation: -0 kcal/mol
1.0000 H2O + 1.0000 Ba++ = BaOH+ +1.0000 H+
-llnl_gamma 4.0
log_k -13.47
-delta_H 0 # Not possible to calculate enthalpy of reaction BaOH+
# Enthalpy of formation: -0 kcal/mol
2.0000 CH3COOH + 1.0000 Be++ = Be(CH3COO)2 +2.0000 H+
-llnl_gamma 3.0
log_k -6.8023
-delta_H -52.4255 kJ/mol # Calculated enthalpy of reaction Be(CH3COO)2
# Enthalpy of formation: -336.23 kcal/mol
-analytic -3.5242e+001 5.1285e-003 -4.8914e+002 8.2862e+000 7.1774e+005
# -Range: 0-300
1.0000 Be++ + 1.0000 CH3COOH = BeCH3COO+ +1.0000 H+
-llnl_gamma 4.0
log_k -3.1079
-delta_H -22.761 kJ/mol # Calculated enthalpy of reaction BeCH3COO+
# Enthalpy of formation: -213.04 kcal/mol
-analytic -1.9418e+001 5.2172e-004 -8.5071e+001 5.2755e+000 3.0215e+005
# -Range: 0-300
2.0000 H2O + 1.0000 Be++ = BeO2-- +4.0000 H+
-llnl_gamma 4.0
log_k -32.161
-delta_H 163.737 kJ/mol # Calculated enthalpy of reaction BeO2-2
# Enthalpy of formation: -189 kcal/mol
-analytic 7.0860e+000 -3.8474e-002 -1.1400e+004 4.2138e+000 -1.7789e+002
# -Range: 0-300
2.0000 H+ + 2.0000 Br- + 0.5000 O2 = Br2 +1.0000 H2O
-llnl_gamma 3.0
log_k +5.6834
-delta_H 0 # Not possible to calculate enthalpy of reaction Br2
# Enthalpy of formation: -0 kcal/mol
1.0000 HCO3- + 1.0000 H+ = CO2 +1.0000 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+001 2.1746e-002 2.5216e+003 7.9125e-001 3.9351e+001
# -Range: 0-300
1.0000 HCO3- = CO3-- +1.0000 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+001 -3.3526e-002 -7.0846e+001 2.8224e+001 -1.0849e+000
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Ca++ = Ca(CH3COO)2 +2.0000 H+
-llnl_gamma 3.0
log_k -7.3814
-delta_H -2.7196 kJ/mol # Calculated enthalpy of reaction Ca(CH3COO)2
# Enthalpy of formation: -362.65 kcal/mol
-analytic -1.0320e+001 4.0012e-003 -3.6281e+003 2.4421e+000 7.0175e+005
# -Range: 0-300
1.0000 O_phthalate-2 + 1.0000 Ca++ = Ca(O_phthalate)
-llnl_gamma 3.0
log_k +2.4200
-delta_H 0 # Not possible to calculate enthalpy of reaction Ca(O_phthalate)
# Enthalpy of formation: -0 kcal/mol
1.0000 H2O + 1.0000 Ca++ + 1.0000 B(OH)3 = CaB(OH)4+ +1.0000 H+
-llnl_gamma 4.0
log_k -7.4222
-delta_H 0 # Not possible to calculate enthalpy of reaction CaB(OH)4+
# Enthalpy of formation: -0 kcal/mol
1.0000 Ca++ + 1.0000 CH3COOH = CaCH3COO+ +1.0000 H+
-llnl_gamma 4.0
log_k -3.8263
-delta_H 1.17152 kJ/mol # Calculated enthalpy of reaction CaCH3COO+
# Enthalpy of formation: -245.62 kcal/mol
-analytic -8.8826e+000 3.1672e-003 -1.0764e+003 2.0526e+000 2.3599e+005
# -Range: 0-300
1.0000 HCO3- + 1.0000 Ca++ = CaCO3 +1.0000 H+
-llnl_gamma 3.0
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+002 5.5350e-002 -8.5056e+003 -9.1096e+001 -1.3279e+002
# -Range: 0-300
1.0000 Cl- + 1.0000 Ca++ = CaCl+
-llnl_gamma 4.0
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+001 3.8387e-002 -1.3763e+003 -3.5968e+001 -2.1501e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Ca++ = CaCl2
-llnl_gamma 3.0
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+002 7.6910e-002 -3.1088e+003 -7.8760e+001 -4.8563e+001
# -Range: 0-300
1.0000 F- + 1.0000 Ca++ = CaF+
-llnl_gamma 4.0
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+001 3.8276e-002 -1.3289e+003 -3.4071e+001 -2.0759e+001
# -Range: 0-300
1.0000 HPO4-- + 1.0000 H+ + 1.0000 Ca++ = CaH2PO4+
-llnl_gamma 4.0
log_k +1.4000
-delta_H 0 # Not possible to calculate enthalpy of reaction CaH2PO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 HCO3- + 1.0000 Ca++ = CaHCO3+
-llnl_gamma 4.0
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+001 3.4639e-002 -3.6972e+002 -2.5864e+001 -5.7859e+000
# -Range: 0-300
1.0000 HPO4-- + 1.0000 Ca++ = CaHPO4
-llnl_gamma 3.0
log_k +2.7400
-delta_H 0 # Not possible to calculate enthalpy of reaction CaHPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 NO3- + 1.0000 Ca++ = CaNO3+
-llnl_gamma 4.0
log_k +0.7000
-delta_H 0 # Not possible to calculate enthalpy of reaction CaNO3+
# Enthalpy of formation: -0 kcal/mol
1.0000 H2O + 1.0000 Ca++ = CaOH+ +1.0000 H+
-llnl_gamma 4.0
log_k -12.85
-delta_H 0 # Not possible to calculate enthalpy of reaction CaOH+
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Ca++ = CaP2O7-- +1.0000 H2O
-llnl_gamma 4.0
log_k +3.0537
-delta_H 0 # Not possible to calculate enthalpy of reaction CaP2O7-2
# Enthalpy of formation: -0 kcal/mol
1.0000 HPO4-- + 1.0000 Ca++ = CaPO4- +1.0000 H+
-llnl_gamma 4.0
log_k -5.8618
-delta_H 0 # Not possible to calculate enthalpy of reaction CaPO4-
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Ca++ = CaSO4
-llnl_gamma 3.0
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+002 8.4084e-002 -7.6880e+003 -1.1449e+002 -1.2005e+002
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Cd++ = Cd(CH3COO)2 +2.0000 H+
-llnl_gamma 3.0
log_k -6.3625
-delta_H -17.4891 kJ/mol # Calculated enthalpy of reaction Cd(CH3COO)2
# Enthalpy of formation: -254.52 kcal/mol
-analytic -1.9344e+001 2.5894e-003 -3.2847e+003 5.8489e+000 7.8041e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Cd++ = Cd(CH3COO)3- +3.0000 H+
-llnl_gamma 4.0
log_k -10.8558
-delta_H -40.0409 kJ/mol # Calculated enthalpy of reaction Cd(CH3COO)3-
# Enthalpy of formation: -376.01 kcal/mol
-analytic 4.8290e+001 -3.4317e-003 -1.5122e+004 -1.3203e+001 2.2479e+006
# -Range: 0-300
4.0000 CH3COOH + 1.0000 Cd++ = Cd(CH3COO)4-- +4.0000 H+
-llnl_gamma 4.0
log_k -16.9163
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(CH3COO)4-2
# Enthalpy of formation: -0 kcal/mol
2.0000 Cyanide- + 1.0000 Cd++ = Cd(Cyanide)2
-llnl_gamma 3.0
log_k +10.3551
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)2
# Enthalpy of formation: -0 kcal/mol
3.0000 Cyanide- + 1.0000 Cd++ = Cd(Cyanide)3-
-llnl_gamma 4.0
log_k +14.8191
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)3-
# Enthalpy of formation: -0 kcal/mol
4.0000 Cyanide- + 1.0000 Cd++ = Cd(Cyanide)4--
-llnl_gamma 4.0
log_k +18.2670
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)4-2
# Enthalpy of formation: -0 kcal/mol
2.0000 HCO3- + 1.0000 Cd++ = Cd(CO3)2-- +2.0000 H+
-llnl_gamma 4.0
log_k -14.2576
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(CO3)2-2
# Enthalpy of formation: -0 kcal/mol
2.0000 N3- + 1.0000 Cd++ = Cd(N3)2
-llnl_gamma 0.0
log_k +2.4606
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)2
# Enthalpy of formation: -0 kcal/mol
3.0000 N3- + 1.0000 Cd++ = Cd(N3)3-
-llnl_gamma 4.0
log_k +3.1263
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)3-
# Enthalpy of formation: -0 kcal/mol
4.0000 N3- + 1.0000 Cd++ = Cd(N3)4--
-llnl_gamma 4.0
log_k +3.4942
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)4-2
# Enthalpy of formation: -0 kcal/mol
1.0000 NH3 + 1.0000 Cd++ = Cd(NH3)++
-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
2.0000 NH3 + 1.0000 Cd++ = Cd(NH3)2++
-llnl_gamma 4.5
log_k +4.8760
-delta_H -27.6533 kJ/mol # Calculated enthalpy of reaction Cd(NH3)2+2
# Enthalpy of formation: -266.225 kJ/mol
-analytic 1.0738e+002 1.6071e-003 -3.2536e+003 -3.7202e+001 -5.0801e+001
# -Range: 0-300
4.0000 NH3 + 1.0000 Cd++ = Cd(NH3)4++
-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 1.5670e+002 -9.4949e-003 -5.0986e+003 -5.2316e+001 -7.9603e+001
# -Range: 0-300
2.0000 H2O + 1.0000 Cd++ = Cd(OH)2 +2.0000 H+
-llnl_gamma 3.0
log_k -20.3402
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)2
# Enthalpy of formation: -0 kcal/mol
3.0000 H2O + 1.0000 Cd++ = Cd(OH)3- +3.0000 H+
-llnl_gamma 4.0
log_k -33.2852
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)3-
# Enthalpy of formation: -0 kcal/mol
4.0000 H2O + 1.0000 Cd++ = Cd(OH)4-- +4.0000 H+
-llnl_gamma 4.0
log_k -47.3303
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)4-2
# Enthalpy of formation: -0 kcal/mol
1.0000 H2O + 1.0000 Cl- + 1.0000 Cd++ = Cd(OH)Cl +1.0000 H+
-llnl_gamma 3.0
log_k -7.4328
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)Cl
# Enthalpy of formation: -0 kcal/mol
2.0000 Thiocyanate- + 1.0000 Cd++ = Cd(Thiocyanate)2
-llnl_gamma 3.0
log_k +1.8649
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Thiocyanate)2
# Enthalpy of formation: -0 kcal/mol
3.0000 Thiocyanate- + 1.0000 Cd++ = Cd(Thiocyanate)3-
-llnl_gamma 4.0
log_k +1.9000
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Thiocyanate)3-
# Enthalpy of formation: -0 kcal/mol
2.0000 Cd++ + 1.0000 H2O = Cd2OH+++ +1.0000 H+
-llnl_gamma 5.0
log_k -9.3851
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd2OH+3
# Enthalpy of formation: -0 kcal/mol
4.0000 H2O + 4.0000 Cd++ = Cd4(OH)4++++ +4.0000 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
1.0000 Cd++ + 1.0000 Br- = CdBr+
-llnl_gamma 4.0
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+002 5.0059e-002 -3.3035e+003 -6.0984e+001 -5.1593e+001
# -Range: 0-300
2.0000 Br- + 1.0000 Cd++ = CdBr2
-llnl_gamma 3.0
log_k +2.8614
-delta_H 0 # Not possible to calculate enthalpy of reaction CdBr2
# Enthalpy of formation: -0 kcal/mol
3.0000 Br- + 1.0000 Cd++ = CdBr3-
-llnl_gamma 4.0
log_k +3.0968
-delta_H 0 # Not possible to calculate enthalpy of reaction CdBr3-
# Enthalpy of formation: -0 kcal/mol
1.0000 Cd++ + 1.0000 CH3COOH = CdCH3COO+ +1.0000 H+
-llnl_gamma 4.0
log_k -2.8294
-delta_H -7.02912 kJ/mol # Calculated enthalpy of reaction CdCH3COO+
# Enthalpy of formation: -135.92 kcal/mol
-analytic -8.8425e+000 1.7178e-003 -1.1758e+003 2.4435e+000 3.0321e+005
# -Range: 0-300
1.0000 Cd++ + 1.0000 Cyanide- = CdCyanide+
-llnl_gamma 4.0
log_k +5.3129
-delta_H 0 # Not possible to calculate enthalpy of reaction CdCyanide+
# Enthalpy of formation: -0 kcal/mol
1.0000 HCO3- + 1.0000 Cd++ = CdCO3 +1.0000 H+
-llnl_gamma 3.0
log_k -7.3288
-delta_H 0 # Not possible to calculate enthalpy of reaction CdCO3
# Enthalpy of formation: -0 kcal/mol
1.0000 Cl- + 1.0000 Cd++ = CdCl+
-llnl_gamma 4.0
log_k +2.7059
-delta_H 2.33843 kJ/mol # Calculated enthalpy of reaction CdCl+
# Enthalpy of formation: -240.639 kJ/mol
2.0000 Cl- + 1.0000 Cd++ = CdCl2
-llnl_gamma 3.0
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+002 4.9221e-002 -3.2625e+003 -5.6946e+001 -5.5451e+001
# -Range: 0-200
3.0000 Cl- + 1.0000 Cd++ = CdCl3-
-llnl_gamma 4.0
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+002 1.0219e-001 -9.9103e+003 -1.3965e+002 -1.5474e+002
# -Range: 0-300
1.0000 HCO3- + 1.0000 Cd++ = CdHCO3+
-llnl_gamma 4.0
log_k +1.5000
-delta_H 0 # Not possible to calculate enthalpy of reaction CdHCO3+
# Enthalpy of formation: -0 kcal/mol
1.0000 I- + 1.0000 Cd++ = CdI+
-llnl_gamma 4.0
log_k +2.0710
-delta_H -9.02584 kJ/mol # Calculated enthalpy of reaction CdI+
# Enthalpy of formation: -141.826 kJ/mol
-analytic 1.5019e+002 5.0320e-002 -3.0810e+003 -6.1738e+001 -4.8120e+001
# -Range: 0-300
2.0000 I- + 1.0000 Cd++ = CdI2
-llnl_gamma 3.0
log_k +3.4685
-delta_H 0 # Not possible to calculate enthalpy of reaction CdI2
# Enthalpy of formation: -0 kcal/mol
3.0000 I- + 1.0000 Cd++ = CdI3-
-llnl_gamma 4.0
log_k +4.5506
-delta_H 0 # Not possible to calculate enthalpy of reaction CdI3-
# Enthalpy of formation: -0 kcal/mol
4.0000 I- + 1.0000 Cd++ = CdI4--
-llnl_gamma 4.0
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+002 1.4257e-001 -8.4464e+003 -1.7795e+002 -1.3193e+002
# -Range: 0-300
1.0000 N3- + 1.0000 Cd++ = CdN3+
-llnl_gamma 4.0
log_k +1.4970
-delta_H 0 # Not possible to calculate enthalpy of reaction CdN3+
# Enthalpy of formation: -0 kcal/mol
1.0000 NO2- + 1.0000 Cd++ = CdNO2+
-llnl_gamma 4.0
log_k +2.3700
-delta_H 0 # Not possible to calculate enthalpy of reaction CdNO2+
# Enthalpy of formation: -0 kcal/mol
1.0000 H2O + 1.0000 Cd++ = CdOH+ +1.0000 H+
-llnl_gamma 4.0
log_k -10.0751
-delta_H 0 # Not possible to calculate enthalpy of reaction CdOH+
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Cd++ = CdP2O7-- +1.0000 H2O
-llnl_gamma 4.0
log_k +4.8094
-delta_H 0 # Not possible to calculate enthalpy of reaction CdP2O7-2
# Enthalpy of formation: -0 kcal/mol
1.0000 Thiocyanate- + 1.0000 Cd++ = CdThiocyanate+
-llnl_gamma 4.0
log_k +1.3218
-delta_H 0 # Not possible to calculate enthalpy of reaction CdThiocyanate+
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Cd++ = CdSO4
-llnl_gamma 3.0
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+000 -1.9109e-003 2.7454e+002 3.4949e+000 4.6651e+000
# -Range: 0-200
1.0000 SeO4-- + 1.0000 Cd++ = CdSeO4
-llnl_gamma 3.0
log_k +2.2700
-delta_H 0 # Not possible to calculate enthalpy of reaction CdSeO4
# Enthalpy of formation: -0 kcal/mol
2.0000 CH3COOH + 1.0000 Ce+++ = Ce(CH3COO)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -4.8159
-delta_H -22.9702 kJ/mol # Calculated enthalpy of reaction Ce(CH3COO)2+
# Enthalpy of formation: -405.09 kcal/mol
-analytic -3.4653e+001 2.0716e-004 -6.3400e+002 1.0678e+001 4.8922e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Ce+++ = Ce(CH3COO)3 +3.0000 H+
-llnl_gamma 3.0
log_k -8.151
-delta_H -38.7438 kJ/mol # Calculated enthalpy of reaction Ce(CH3COO)3
# Enthalpy of formation: -524.96 kcal/mol
-analytic -2.3361e+001 2.3896e-003 -1.8035e+003 5.0888e+000 7.1021e+005
# -Range: 0-300
2.0000 HCO3- + 1.0000 Ce+++ = Ce(CO3)2- +2.0000 H+
-llnl_gamma 4.0
log_k -8.1576
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Ce+++ = Ce(HPO4)2-
-llnl_gamma 4.0
log_k +8.7000
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 Ce++++ = Ce(OH)2++ +2.0000 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
2.0000 HPO4-- + 1.0000 Ce+++ = Ce(PO4)2--- +2.0000 H+
-llnl_gamma 4.0
log_k -6.1437
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 2.0000 Ce++++ = Ce2(OH)2+6 +2.0000 H+
-llnl_gamma 6.0
log_k +3.0098
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce2(OH)2+6
# Enthalpy of formation: -0 kcal/mol
5.0000 H2O + 3.0000 Ce+++ = Ce3(OH)5++++ +5.0000 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
1.0000 Ce+++ + 1.0000 Br- = CeBr++
-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 7.5790e+001 3.6040e-002 -1.2647e+003 -3.3094e+001 -1.9757e+001
# -Range: 0-300
1.0000 Ce+++ + 1.0000 CH3COOH = CeCH3COO++ +1.0000 H+
-llnl_gamma 4.5
log_k -2.0304
-delta_H -12.0918 kJ/mol # Calculated enthalpy of reaction CeCH3COO+2
# Enthalpy of formation: -286.39 kcal/mol
-analytic -1.6080e+001 6.6239e-004 -6.0721e+002 5.0845e+000 2.9512e+005
# -Range: 0-300
1.0000 HCO3- + 1.0000 Ce+++ = CeCO3+ +1.0000 H+
-llnl_gamma 4.0
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+002 5.3153e-002 -7.1180e+003 -9.2061e+001 -1.1114e+002
# -Range: 0-300
1.0000 Cl- + 1.0000 Ce+++ = CeCl++
-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+001 3.8166e-002 -2.0058e+003 -3.5504e+001 -3.1324e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Ce+++ = CeCl2+
-llnl_gamma 4.0
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+002 8.1428e-002 -6.1292e+003 -9.4468e+001 -9.5708e+001
# -Range: 0-300
3.0000 Cl- + 1.0000 Ce+++ = CeCl3
-llnl_gamma 3.0
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+002 1.2994e-001 -1.2308e+004 -1.7722e+002 -1.9218e+002
# -Range: 0-300
4.0000 Cl- + 1.0000 Ce+++ = CeCl4-
-llnl_gamma 4.0
log_k -0.7447
-delta_H -1.95811 kJ/mol # Calculated enthalpy of reaction CeCl4-
# Enthalpy of formation: -327.6 kcal/mol
-analytic 5.2230e+002 1.3490e-001 -1.4859e+004 -2.0747e+002 -2.3201e+002
# -Range: 0-300
1.0000 ClO4- + 1.0000 Ce+++ = CeClO4++
-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+001 1.8115e-002 3.9869e+003 -1.3033e+000 6.2215e+001
# -Range: 0-300
1.0000 F- + 1.0000 Ce+++ = CeF++
-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+002 4.1730e-002 -2.8424e+003 -4.1094e+001 -4.4383e+001
# -Range: 0-300
2.0000 F- + 1.0000 Ce+++ = CeF2+
-llnl_gamma 4.0
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+002 8.5224e-002 -6.2219e+003 -1.0017e+002 -9.7160e+001
# -Range: 0-300
3.0000 F- + 1.0000 Ce+++ = CeF3
-llnl_gamma 3.0
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+002 1.3664e-001 -1.1745e+004 -1.8629e+002 -1.8340e+002
# -Range: 0-300
4.0000 F- + 1.0000 Ce+++ = CeF4-
-llnl_gamma 4.0
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+002 1.3856e-001 -1.2722e+004 -2.1112e+002 -1.9868e+002
# -Range: 0-300
1.0000 HPO4-- + 1.0000 H+ + 1.0000 Ce+++ = CeH2PO4++
-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+002 6.3771e-002 5.2908e+001 -4.9649e+001 7.9189e-001
# -Range: 0-300
1.0000 HCO3- + 1.0000 Ce+++ = CeHCO3++
-llnl_gamma 4.5
log_k +1.9190
-delta_H 8.77803 kJ/mol # Calculated enthalpy of reaction CeHCO3+2
# Enthalpy of formation: -330.2 kcal/mol
-analytic 4.4441e+001 3.2077e-002 -3.0714e+002 -2.0622e+001 -4.8060e+000
# -Range: 0-300
1.0000 HPO4-- + 1.0000 Ce+++ = CeHPO4+
-llnl_gamma 4.0
log_k +5.2000
-delta_H 0 # Not possible to calculate enthalpy of reaction CeHPO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 IO3- + 1.0000 Ce+++ = CeIO3++
-llnl_gamma 4.5
log_k +1.9000
-delta_H -21.1627 kJ/mol # Calculated enthalpy of reaction CeIO3+2
# Enthalpy of formation: -225.358 kcal/mol
-analytic 3.3756e+001 2.8528e-002 1.2847e+003 -1.8042e+001 2.0036e+001
# -Range: 0-300
1.0000 NO3- + 1.0000 Ce+++ = CeNO3++
-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+001 2.5931e-002 1.9950e+003 -1.4490e+001 3.1124e+001
# -Range: 0-300
1.0000 H2O + 1.0000 Ce+++ = CeO+ +2.0000 H+
-llnl_gamma 4.0
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+002 3.1302e-002 -1.4331e+004 -7.1323e+001 -2.2368e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Ce+++ = CeO2- +4.0000 H+
-llnl_gamma 4.0
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+002 3.4824e-003 -1.5873e+004 -3.3056e+001 -4.7656e+005
# -Range: 0-300
2.0000 H2O + 1.0000 Ce+++ = CeO2H +3.0000 H+
-llnl_gamma 3.0
log_k -26.1503
-delta_H 228.17 kJ/mol # Calculated enthalpy of reaction CeO2H
# Enthalpy of formation: -249.5 kcal/mol
-analytic 3.5650e+002 4.6708e-002 -2.4320e+004 -1.2731e+002 -3.7959e+002
# -Range: 0-300
1.0000 H2O + 1.0000 Ce+++ = CeOH++ +1.0000 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+001 1.2863e-002 -6.7244e+003 -2.6473e+001 -1.0495e+002
# -Range: 0-300
1.0000 H2O + 1.0000 Ce++++ = CeOH+++ +1.0000 H+
-llnl_gamma 5.0
log_k +3.2049
-delta_H 0 # Not possible to calculate enthalpy of reaction CeOH+3
# Enthalpy of formation: -0 kcal/mol
1.0000 HPO4-- + 1.0000 Ce+++ = CePO4 +1.0000 H+
-llnl_gamma 3.0
log_k -0.9718
-delta_H 0 # Not possible to calculate enthalpy of reaction CePO4
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Ce+++ = CeSO4+
-llnl_gamma 4.0
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+002 8.5149e-002 -1.1025e+004 -1.1866e+002 -1.7213e+002
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Co++ = Co(CH3COO)2 +2.0000 H+
-llnl_gamma 3.0
log_k -7.1468
-delta_H -22.4262 kJ/mol # Calculated enthalpy of reaction Co(CH3COO)2
# Enthalpy of formation: -251.46 kcal/mol
-analytic -2.0661e+001 2.9014e-003 -2.2146e+003 5.1702e+000 6.4968e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Co++ = Co(CH3COO)3- +3.0000 H+
-llnl_gamma 4.0
log_k -11.281
-delta_H -48.2415 kJ/mol # Calculated enthalpy of reaction Co(CH3COO)3-
# Enthalpy of formation: -373.73 kcal/mol
-analytic 6.3384e+001 -4.0669e-003 -1.4715e+004 -1.9518e+001 2.1524e+006
# -Range: 0-300
2.0000 HS- + 1.0000 Co++ = Co(HS)2
-llnl_gamma 3.0
log_k +9.0306
-delta_H 0 # Not possible to calculate enthalpy of reaction Co(HS)2
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 Co++ = Co(OH)2 +2.0000 H+
-llnl_gamma 3.0
log_k -18.8
-delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)2
# Enthalpy of formation: -0 kcal/mol
4.0000 H2O + 1.0000 Co++ = Co(OH)4-- +4.0000 H+
-llnl_gamma 4.0
log_k -45.7803
-delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)4-2
# Enthalpy of formation: -0 kcal/mol
1.0000 H2O + 2.0000 Co++ = Co2OH+++ +1.0000 H+
-llnl_gamma 5.0
log_k -11.2
-delta_H 0 # Not possible to calculate enthalpy of reaction Co2OH+3
# Enthalpy of formation: -0 kcal/mol
4.0000 H2O + 4.0000 Co++ = Co4(OH)4++++ +4.0000 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
2.0000 Br- + 1.0000 Co++ = CoBr2
-llnl_gamma 3.0
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+000 8.0908e-004 -1.8986e+002 -2.2295e+000 -3.2261e+000
# -Range: 0-200
1.0000 Co++ + 1.0000 CH3COOH = CoCH3COO+ +1.0000 H+
-llnl_gamma 4.0
log_k -3.2985
-delta_H -8.70272 kJ/mol # Calculated enthalpy of reaction CoCH3COO+
# Enthalpy of formation: -132.08 kcal/mol
-analytic -5.4858e+000 1.9147e-003 -1.1292e+003 9.0555e-001 2.8223e+005
# -Range: 0-300
1.0000 Co++ + 1.0000 Cl- = CoCl+
-llnl_gamma 4.0
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+002 5.6958e-002 -3.3258e+003 -6.3849e+001 -5.1942e+001
# -Range: 0-300
1.0000 HS- + 1.0000 Co++ = CoHS+
-llnl_gamma 4.0
log_k +5.9813
-delta_H 0 # Not possible to calculate enthalpy of reaction CoHS+
# Enthalpy of formation: -0 kcal/mol
2.0000 I- + 1.0000 Co++ = CoI2
-llnl_gamma 3.0
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+001 1.0128e-002 -1.1219e+003 -1.4301e+001 -1.9064e+001
# -Range: 0-200
1.0000 NO3- + 1.0000 Co++ = CoNO3+
-llnl_gamma 4.0
log_k +0.2000
-delta_H 0 # Not possible to calculate enthalpy of reaction CoNO3+
# Enthalpy of formation: -0 kcal/mol
1.0000 Co++ + S2O3-- = CoS2O3
-llnl_gamma 3.0
log_k 0.8063
-delta_H 0 # Not possible to calculate enthalpy of reaction CoS2O3
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Co++ = CoSO4
-llnl_gamma 3.0
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+000 1.0086e-003 -6.1450e+001 -1.0148e+000 -1.0444e+000
# -Range: 0-200
1.0000 SeO4-- + 1.0000 Co++ = CoSeO4
-llnl_gamma 3.0
log_k +2.7000
-delta_H 0 # Not possible to calculate enthalpy of reaction CoSeO4
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 Cr+++ = Cr(OH)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -9.7
-delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)2+
# Enthalpy of formation: -0 kcal/mol
3.0000 H2O + 1.0000 Cr+++ = Cr(OH)3 +3.0000 H+
-llnl_gamma 3.0
log_k -18
-delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)3
# Enthalpy of formation: -0 kcal/mol
4.0000 H2O + 1.0000 Cr+++ = Cr(OH)4- +4.0000 H+
-llnl_gamma 4.0
log_k -27.4
-delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)4-
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 2.0000 Cr+++ = Cr2(OH)2++++ +2.0000 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
2.0000 H+ + 2.0000 CrO4-- = Cr2O7-- +1.0000 H2O
-llnl_gamma 4.0
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+002 6.5773e-002 -7.9472e+002 -5.6525e+001 -1.2441e+001
# -Range: 0-300
4.0000 H2O + 3.0000 Cr+++ = Cr3(OH)4+5 +4.0000 H+
-llnl_gamma 6.0
log_k -8.15
-delta_H 0 # Not possible to calculate enthalpy of reaction Cr3(OH)4+5
# Enthalpy of formation: -0 kcal/mol
1.0000 Cr+++ + 1.0000 Br- = CrBr++
-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+001 3.4704e-002 -3.6750e+003 -3.8461e+001 -5.7373e+001
# -Range: 0-300
1.0000 Cr+++ + 1.0000 Cl- = CrCl++
-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
2.0000 Cl- + 1.0000 Cr+++ = CrCl2+
-llnl_gamma 4.0
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+002 7.3878e-002 -6.2218e+003 -8.1677e+001 -9.7144e+001
# -Range: 0-300
1.0000 Cl- + 2.000 H+ + 1.0000 CrO4-- = CrO3Cl- + 1.0000 H2O
-llnl_gamma 4.0
log_k 7.5270
-delta_H 0 # Not possible to calculate enthalpy of reaction CrO3Cl-
# Enthalpy of formation: -0 kcal/mol
-analytic 2.7423e+002 1.0013e-001 -6.0072e+003 -1.1168e+002 -9.3817e+001
# -Range: 0-300
1.0000 H2O + 1.0000 Cr+++ = CrOH++ +1.0000 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
2.0000 CH3COOH + 1.0000 Cs+ = Cs(CH3COO)2- +2.0000 H+
-llnl_gamma 4.0
log_k -9.771
-delta_H 1.2552 kJ/mol # Calculated enthalpy of reaction Cs(CH3COO)2-
# Enthalpy of formation: -293.57 kcal/mol
-analytic -1.6956e+002 -4.0378e-002 4.5773e+003 6.3241e+001 7.1475e+001
# -Range: 0-300
1.0000 Cs+ + 1.0000 Br- = CsBr
-llnl_gamma 3.0
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+002 3.2000e-002 -3.8770e+003 -4.7458e+001 -6.0533e+001
# -Range: 0-300
1.0000 Cs+ + 1.0000 CH3COOH = CsCH3COO +1.0000 H+
-llnl_gamma 3.0
log_k -4.7352
-delta_H 6.0668 kJ/mol # Calculated enthalpy of reaction CsCH3COO
# Enthalpy of formation: -176.32 kcal/mol
-analytic 2.4280e+001 -2.8642e-003 -3.1339e+003 -8.1616e+000 2.2684e+005
# -Range: 0-300
1.0000 Cs+ + 1.0000 Cl- = CsCl
-llnl_gamma 3.0
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+002 3.3730e-002 -3.9130e+003 -4.9212e+001 -6.1096e+001
# -Range: 0-300
1.0000 I- + 1.0000 Cs+ = CsI
-llnl_gamma 3.0
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+002 3.1419e-002 -3.3496e+003 -4.5828e+001 -5.2302e+001
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Cu++ = Cu(CH3COO)2 +2.0000 H+
-llnl_gamma 3.0
log_k -5.8824
-delta_H -25.899 kJ/mol # Calculated enthalpy of reaction Cu(CH3COO)2
# Enthalpy of formation: -222.69 kcal/mol
-analytic -2.6689e+001 1.8048e-003 -1.8244e+003 7.7008e+000 6.5408e+005
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Cu+ = Cu(CH3COO)2- +2.0000 H+
-llnl_gamma 4.0
log_k -9.2139
-delta_H -19.5476 kJ/mol # Calculated enthalpy of reaction Cu(CH3COO)2-
# Enthalpy of formation: -219.74 kcal/mol
-analytic -3.2712e+002 -5.9087e-002 1.1386e+004 1.2017e+002 1.7777e+002
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Cu++ = Cu(CH3COO)3- +3.0000 H+
-llnl_gamma 4.0
log_k -9.3788
-delta_H -53.2205 kJ/mol # Calculated enthalpy of reaction Cu(CH3COO)3-
# Enthalpy of formation: -345.32 kcal/mol
-analytic 3.9475e+001 -6.2867e-003 -1.3233e+004 -1.0643e+001 2.1121e+006
# -Range: 0-300
2.0000 HCO3- + 1.0000 Cu++ = Cu(CO3)2-- +2.0000 H+
-llnl_gamma 4.0
log_k -10.4757
-delta_H 0 # Not possible to calculate enthalpy of reaction Cu(CO3)2-2
# Enthalpy of formation: -0 kcal/mol
2.0000 NH3 + 1.0000 Cu++ = Cu(NH3)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+002 4.8192e-003 -2.5139e+003 -4.0733e+001 -3.9261e+001
# -Range: 0-300
3.0000 NH3 + 1.0000 Cu++ = Cu(NH3)3++
-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+002 -3.8236e-004 -2.8137e+003 -4.8336e+001 -4.3946e+001
# -Range: 0-300
2.0000 NO2- + 1.0000 Cu++ = Cu(NO2)2
-llnl_gamma 3.0
log_k +3.0300
-delta_H 0 # Not possible to calculate enthalpy of reaction Cu(NO2)2
# Enthalpy of formation: -0 kcal/mol
1.0000 Cu+ + 1.0000 CH3COOH = CuCH3COO +1.0000 H+
-llnl_gamma 3.0
log_k -4.4274
-delta_H -4.19237 kJ/mol # Calculated enthalpy of reaction CuCH3COO
# Enthalpy of formation: -99.97 kcal/mol
-analytic 6.3784e+000 -4.5464e-004 -1.9995e+003 -2.8359e+000 2.7224e+005
# -Range: 0-300
1.0000 Cu++ + 1.0000 CH3COOH = CuCH3COO+ +1.0000 H+
-llnl_gamma 4.0
log_k -2.5252
-delta_H -11.3805 kJ/mol # Calculated enthalpy of reaction CuCH3COO+
# Enthalpy of formation: -103.12 kcal/mol
-analytic -1.4930e+001 5.1278e-004 -3.4874e+002 4.3605e+000 2.3504e+005
# -Range: 0-300
2.0000 H2O + 1.0000 HCO3- + 1.0000 Cu++ = CuCO3(OH)2-- +3.0000 H+
-llnl_gamma 4.0
log_k -23.444
-delta_H 0 # Not possible to calculate enthalpy of reaction CuCO3(OH)2-2
# Enthalpy of formation: -0 kcal/mol
1.0000 HCO3- + 1.0000 Cu++ = CuCO3 +1.0000 H+
-llnl_gamma 3.0
log_k -3.3735
-delta_H 0 # Not possible to calculate enthalpy of reaction CuCO3
# Enthalpy of formation: -0 kcal/mol
1.0000 Cu++ + 1.0000 Cl- = CuCl+
-llnl_gamma 4.0
log_k +0.4370
-delta_H 0 # Not possible to calculate enthalpy of reaction CuCl+
# Enthalpy of formation: -0 kcal/mol
2.0000 Cl- + 1.0000 Cu++ = CuCl2
-llnl_gamma 3.0
log_k +0.1585
-delta_H 0 # Not possible to calculate enthalpy of reaction CuCl2
# Enthalpy of formation: -0 kcal/mol
2.0000 Cl- + 1.0000 Cu+ = CuCl2-
-llnl_gamma 4.0
log_k +4.8212
-delta_H 0 # Not possible to calculate enthalpy of reaction CuCl2-
# Enthalpy of formation: -0 kcal/mol
3.0000 Cl- + 1.0000 Cu+ = CuCl3--
-llnl_gamma 4.0
log_k +5.6289
-delta_H 0 # Not possible to calculate enthalpy of reaction CuCl3-2
# Enthalpy of formation: -0 kcal/mol
4.0000 Cl- + 1.0000 Cu++ = CuCl4--
-llnl_gamma 4.0
log_k -4.5681
-delta_H 0 # Not possible to calculate enthalpy of reaction CuCl4-2
# Enthalpy of formation: -0 kcal/mol
1.0000 F- + 1.0000 Cu++ = CuF+
-llnl_gamma 4.0
log_k +1.2000
-delta_H 0 # Not possible to calculate enthalpy of reaction CuF+
# Enthalpy of formation: -0 kcal/mol
1.0000 HPO4-- + 1.0000 H+ + 1.0000 Cu++ = CuH2PO4+
-llnl_gamma 4.0
log_k +8.9654
-delta_H 0 # Not possible to calculate enthalpy of reaction CuH2PO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 HPO4-- + 1.0000 Cu++ = CuHPO4
-llnl_gamma 3.0
log_k +4.0600
-delta_H 0 # Not possible to calculate enthalpy of reaction CuHPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 NH3 + 1.0000 Cu++ = CuNH3++
-llnl_gamma 4.5
log_k +4.0400
-delta_H 0 # Not possible to calculate enthalpy of reaction CuNH3+2
# Enthalpy of formation: -0 kcal/mol
1.0000 NO2- + 1.0000 Cu++ = CuNO2+
-llnl_gamma 4.0
log_k +2.0200
-delta_H 0 # Not possible to calculate enthalpy of reaction CuNO2+
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 Cu++ = CuO2-- +4.0000 H+
-llnl_gamma 4.0
log_k -39.4497
-delta_H 0 # Not possible to calculate enthalpy of reaction CuO2-2
# Enthalpy of formation: -0 kcal/mol
1.0000 H2O + 1.0000 Cu++ = CuOH+ +1.0000 H+
-llnl_gamma 4.0
log_k -7.2875
-delta_H 0 # Not possible to calculate enthalpy of reaction CuOH+
# Enthalpy of formation: -0 kcal/mol
1.0000 HPO4-- + 1.0000 Cu++ = CuPO4- +1.0000 H+
-llnl_gamma 4.0
log_k -2.4718
-delta_H 0 # Not possible to calculate enthalpy of reaction CuPO4-
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Cu++ = CuSO4
-llnl_gamma 0.0
log_k +2.3600
-delta_H 0 # Not possible to calculate enthalpy of reaction CuSO4
# Enthalpy of formation: -0 kcal/mol
2.0000 CH3COOH + 1.0000 Dy+++ = Dy(CH3COO)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -4.9625
-delta_H -29.3298 kJ/mol # Calculated enthalpy of reaction Dy(CH3COO)2+
# Enthalpy of formation: -405.71 kcal/mol
-analytic -2.7249e+001 2.7507e-003 -1.7500e+003 7.9356e+000 6.8668e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Dy+++ = Dy(CH3COO)3 +3.0000 H+
-llnl_gamma 3.0
log_k -8.3489
-delta_H -49.4549 kJ/mol # Calculated enthalpy of reaction Dy(CH3COO)3
# Enthalpy of formation: -526.62 kcal/mol
-analytic -2.4199e+001 6.2065e-003 -2.8937e+003 5.0176e+000 1.0069e+006
# -Range: 0-300
2.0000 HCO3- + 1.0000 Dy+++ = Dy(CO3)2- +2.0000 H+
-llnl_gamma 4.0
log_k -7.4576
-delta_H 0 # Not possible to calculate enthalpy of reaction Dy(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Dy+++ = Dy(HPO4)2-
-llnl_gamma 4.0
log_k +9.8000
-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
2.0000 HPO4-- + 1.0000 Dy+++ = Dy(PO4)2--- +2.0000 H+
-llnl_gamma 4.0
log_k -3.4437
-delta_H 0 # Not possible to calculate enthalpy of reaction Dy(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 Dy+++ = Dy(SO4)2-
-llnl_gamma 4.0
log_k +5.0000
-delta_H 0 # Not possible to calculate enthalpy of reaction Dy(SO4)2-
# Enthalpy of formation: -0 kcal/mol
1.0000 Dy+++ + 1.0000 CH3COOH = DyCH3COO++ +1.0000 H+
-llnl_gamma 4.5
log_k -2.1037
-delta_H -14.8532 kJ/mol # Calculated enthalpy of reaction DyCH3COO+2
# Enthalpy of formation: -286.15 kcal/mol
-analytic -1.3635e+001 1.7329e-003 -9.4636e+002 4.0900e+000 3.6282e+005
# -Range: 0-300
1.0000 HCO3- + 1.0000 Dy+++ = DyCO3+ +1.0000 H+
-llnl_gamma 4.0
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+002 5.4342e-002 -6.9953e+003 -9.3949e+001 -1.0922e+002
# -Range: 0-300
1.0000 Dy+++ + 1.0000 Cl- = DyCl++
-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+001 3.7129e-002 -1.3839e+003 -3.0432e+001 -2.1615e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Dy+++ = DyCl2+
-llnl_gamma 4.0
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+002 7.7901e-002 -4.3528e+003 -7.9735e+001 -6.7978e+001
# -Range: 0-300
3.0000 Cl- + 1.0000 Dy+++ = DyCl3
-llnl_gamma 3.0
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+002 1.2471e-001 -9.0651e+003 -1.5147e+002 -1.4156e+002
# -Range: 0-300
4.0000 Cl- + 1.0000 Dy+++ = DyCl4-
-llnl_gamma 4.0
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+002 1.2288e-001 -9.2351e+003 -1.6078e+002 -1.4422e+002
# -Range: 0-300
1.0000 F- + 1.0000 Dy+++ = DyF++
-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 9.1120e+001 4.1193e-002 -2.3302e+003 -3.6734e+001 -3.6388e+001
# -Range: 0-300
2.0000 F- + 1.0000 Dy+++ = DyF2+
-llnl_gamma 4.0
log_k +8.1510
-delta_H 12.552 kJ/mol # Calculated enthalpy of reaction DyF2+
# Enthalpy of formation: -323.8 kcal/mol
-analytic 2.1325e+002 8.2483e-002 -4.5864e+003 -8.6587e+001 -7.1629e+001
# -Range: 0-300
3.0000 F- + 1.0000 Dy+++ = DyF3
-llnl_gamma 3.0
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+002 1.3143e-001 -8.5607e+003 -1.6056e+002 -1.3370e+002
# -Range: 0-300
4.0000 F- + 1.0000 Dy+++ = DyF4-
-llnl_gamma 4.0
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+002 1.2922e-001 -7.4445e+003 -1.6867e+002 -1.1629e+002
# -Range: 0-300
1.0000 HPO4-- + 1.0000 H+ + 1.0000 Dy+++ = DyH2PO4++
-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+001 6.2578e-002 7.1784e+002 -4.4383e+001 1.1172e+001
# -Range: 0-300
1.0000 HCO3- + 1.0000 Dy+++ = DyHCO3++
-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+001 3.0703e-002 3.9229e+002 -1.5036e+001 6.1127e+000
# -Range: 0-300
1.0000 HPO4-- + 1.0000 Dy+++ = DyHPO4+
-llnl_gamma 4.0
log_k +5.8000
-delta_H 0 # Not possible to calculate enthalpy of reaction DyHPO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 NO3- + 1.0000 Dy+++ = DyNO3++
-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+000 2.4556e-002 2.5866e+003 -8.9975e+000 4.0359e+001
# -Range: 0-300
1.0000 H2O + 1.0000 Dy+++ = DyO+ +2.0000 H+
-llnl_gamma 4.0
log_k -16.1171
-delta_H 108.018 kJ/mol # Calculated enthalpy of reaction DyO+
# Enthalpy of formation: -209 kcal/mol
-analytic 1.9069e+002 3.0358e-002 -1.3796e+004 -6.8532e+001 -2.1532e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Dy+++ = DyO2- +4.0000 H+
-llnl_gamma 4.0
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+001 4.4204e-004 -1.3570e+004 -2.4546e+001 -4.2320e+005
# -Range: 0-300
2.0000 H2O + 1.0000 Dy+++ = DyO2H +3.0000 H+
-llnl_gamma 3.0
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+002 4.6004e-002 -2.2868e+004 -1.2027e+002 -3.5693e+002
# -Range: 0-300
1.0000 H2O + 1.0000 Dy+++ = DyOH++ +1.0000 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+001 1.2473e-002 -6.2419e+003 -2.4841e+001 -9.7420e+001
# -Range: 0-300
1.0000 HPO4-- + 1.0000 Dy+++ = DyPO4 +1.0000 H+
-llnl_gamma 3.0
log_k +0.1782
-delta_H 0 # Not possible to calculate enthalpy of reaction DyPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Dy+++ = DySO4+
-llnl_gamma 4.0
log_k +3.6430
-delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction DySO4+
# Enthalpy of formation: -379 kcal/mol
-analytic 3.0672e+002 8.6459e-002 -9.0386e+003 -1.2063e+002 -1.4113e+002
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Er+++ = Er(CH3COO)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -4.9844
-delta_H -32.8026 kJ/mol # Calculated enthalpy of reaction Er(CH3COO)2+
# Enthalpy of formation: -408.54 kcal/mol
-analytic -3.1458e+001 1.4715e-003 -1.0556e+003 9.1586e+000 6.1669e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Er+++ = Er(CH3COO)3 +3.0000 H+
-llnl_gamma 3.0
log_k -8.3783
-delta_H -55.187 kJ/mol # Calculated enthalpy of reaction Er(CH3COO)3
# Enthalpy of formation: -529.99 kcal/mol
-analytic -2.1575e+001 5.9740e-003 -2.0489e+003 3.3624e+000 8.8933e+005
# -Range: 0-300
2.0000 HCO3- + 1.0000 Er+++ = Er(CO3)2- +2.0000 H+
-llnl_gamma 4.0
log_k -7.2576
-delta_H 0 # Not possible to calculate enthalpy of reaction Er(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Er+++ = Er(HPO4)2-
-llnl_gamma 4.0
log_k +10.0000
-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
2.0000 HPO4-- + 1.0000 Er+++ = Er(PO4)2--- +2.0000 H+
-llnl_gamma 4.0
log_k -3.2437
-delta_H 0 # Not possible to calculate enthalpy of reaction Er(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 Er+++ = Er(SO4)2-
-llnl_gamma 4.0
log_k +5.0000
-delta_H 0 # Not possible to calculate enthalpy of reaction Er(SO4)2-
# Enthalpy of formation: -0 kcal/mol
1.0000 Er+++ + 1.0000 CH3COOH = ErCH3COO++ +1.0000 H+
-llnl_gamma 4.5
log_k -2.1184
-delta_H -16.4013 kJ/mol # Calculated enthalpy of reaction ErCH3COO+2
# Enthalpy of formation: -288.52 kcal/mol
-analytic -1.2519e+001 1.5558e-003 -8.5344e+002 3.5918e+000 3.4888e+005
# -Range: 0-300
1.0000 HCO3- + 1.0000 Er+++ = ErCO3+ +1.0000 H+
-llnl_gamma 4.0
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+002 5.4549e-002 -6.9433e+003 -9.4373e+001 -1.0841e+002
# -Range: 0-300
1.0000 Er+++ + 1.0000 Cl- = ErCl++
-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+001 3.7462e-002 -1.5300e+003 -3.2257e+001 -2.3896e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Er+++ = ErCl2+
-llnl_gamma 4.0
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+002 7.8907e-002 -4.8271e+003 -8.4835e+001 -7.5382e+001
# -Range: 0-300
3.0000 Cl- + 1.0000 Er+++ = ErCl3
-llnl_gamma 3.0
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+002 1.2757e-001 -1.0045e+004 -1.6244e+002 -1.5686e+002
# -Range: 0-300
4.0000 Cl- + 1.0000 Er+++ = ErCl4-
-llnl_gamma 4.0
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+002 1.2627e-001 -1.0669e+004 -1.7677e+002 -1.6660e+002
# -Range: 0-300
1.0000 F- + 1.0000 Er+++ = ErF++
-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+001 4.1707e-002 -2.6028e+003 -3.8805e+001 -4.0643e+001
# -Range: 0-300
2.0000 F- + 1.0000 Er+++ = ErF2+
-llnl_gamma 4.0
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+002 8.3842e-002 -5.2174e+003 -9.2172e+001 -8.1481e+001
# -Range: 0-300
3.0000 F- + 1.0000 Er+++ = ErF3
-llnl_gamma 3.0
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+002 1.3425e-001 -9.7064e+003 -1.7148e+002 -1.5158e+002
# -Range: 0-300
4.0000 F- + 1.0000 Er+++ = ErF4-
-llnl_gamma 4.0
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+002 1.3372e-001 -9.1895e+003 -1.8636e+002 -1.4353e+002
# -Range: 0-300
1.0000 HPO4-- + 1.0000 H+ + 1.0000 Er+++ = ErH2PO4++
-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+002 6.2786e-002 6.3590e+002 -4.6029e+001 9.8920e+000
# -Range: 0-300
1.0000 HCO3- + 1.0000 Er+++ = ErHCO3++
-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 3.2450e+001 3.0822e-002 3.1601e+002 -1.6528e+001 4.9212e+000
# -Range: 0-300
1.0000 HPO4-- + 1.0000 Er+++ = ErHPO4+
-llnl_gamma 4.0
log_k +5.9000
-delta_H 0 # Not possible to calculate enthalpy of reaction ErHPO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 NO3- + 1.0000 Er+++ = ErNO3++
-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+001 2.4710e-002 2.5752e+003 -1.0596e+001 4.0181e+001
# -Range: 0-300
1.0000 H2O + 1.0000 Er+++ = ErO+ +2.0000 H+
-llnl_gamma 4.0
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+002 2.8655e-002 -1.3134e+004 -6.3050e+001 -2.0499e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Er+++ = ErO2- +4.0000 H+
-llnl_gamma 4.0
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+002 9.1241e-003 -1.8521e+004 -4.9740e+001 -2.8905e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Er+++ = ErO2H +3.0000 H+
-llnl_gamma 3.0
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+002 4.4381e-002 -2.1821e+004 -1.1287e+002 -3.4059e+002
# -Range: 0-300
1.0000 H2O + 1.0000 Er+++ = ErOH++ +1.0000 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+001 1.0986e-002 -5.6684e+003 -1.9867e+001 -8.8467e+001
# -Range: 0-300
1.0000 HPO4-- + 1.0000 Er+++ = ErPO4 +1.0000 H+
-llnl_gamma 3.0
log_k +0.3782
-delta_H 0 # Not possible to calculate enthalpy of reaction ErPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Er+++ = ErSO4+
-llnl_gamma 4.0
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+002 8.5667e-002 -8.9667e+003 -1.1942e+002 -1.4001e+002
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Eu+++ = Eu(CH3COO)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -4.6912
-delta_H -28.3257 kJ/mol # Calculated enthalpy of reaction Eu(CH3COO)2+
# Enthalpy of formation: -383.67 kcal/mol
-analytic -2.7589e+001 1.5772e-003 -1.1008e+003 7.9899e+000 5.6652e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Eu+++ = Eu(CH3COO)3 +3.0000 H+
-llnl_gamma 3.0
log_k -7.9824
-delta_H -47.3629 kJ/mol # Calculated enthalpy of reaction Eu(CH3COO)3
# Enthalpy of formation: -504.32 kcal/mol
-analytic -3.7470e+001 1.9276e-003 -1.0318e+003 9.7078e+000 7.4558e+005
# -Range: 0-300
2.0000 HCO3- + 1.0000 Eu+++ = Eu(CO3)2- +2.0000 H+
-llnl_gamma 4.0
log_k -8.3993
-delta_H 0 # Not possible to calculate enthalpy of reaction Eu(CO3)2-
# Enthalpy of formation: -0 kcal/mol
3.0000 HCO3- + 1.0000 Eu+++ = Eu(CO3)3--- +3.0000 H+
-llnl_gamma 4.0
log_k -16.8155
-delta_H 0 # Not possible to calculate enthalpy of reaction Eu(CO3)3-3
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Eu+++ = Eu(HPO4)2-
-llnl_gamma 4.0
log_k +9.6000
-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
2.0000 H2O + 1.0000 HCO3- + 1.0000 Eu+++ = Eu(OH)2CO3- +3.0000 H+
-llnl_gamma 4.0
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
2.0000 HPO4-- + 1.0000 Eu+++ = Eu(PO4)2--- +2.0000 H+
-llnl_gamma 4.0
log_k -3.9837
-delta_H 0 # Not possible to calculate enthalpy of reaction Eu(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 Eu+++ = Eu(SO4)2-
-llnl_gamma 4.0
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+002 1.2285e-001 -1.3400e+004 -1.7697e+002 -2.0922e+002
# -Range: 0-300
2.0000 H2O + 2.0000 Eu+++ = Eu2(OH)2++++ +2.0000 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
1.0000 Eu+++ + 1.0000 Br- = EuBr++
-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
2.0000 Br- + 1.0000 Eu+++ = EuBr2+
-llnl_gamma 4.0
log_k +0.2145
-delta_H 0 # Not possible to calculate enthalpy of reaction EuBr2+
# Enthalpy of formation: -0 kcal/mol
1.0000 Eu+++ + 1.0000 BrO3- = EuBrO3++
-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
1.0000 Eu+++ + 1.0000 CH3COOH = EuCH3COO++ +1.0000 H+
-llnl_gamma 4.5
log_k -1.9571
-delta_H -14.5603 kJ/mol # Calculated enthalpy of reaction EuCH3COO+2
# Enthalpy of formation: -264.28 kcal/mol
-analytic -1.5090e+001 1.0352e-003 -6.4435e+002 4.6225e+000 3.1649e+005
# -Range: 0-300
1.0000 HCO3- + 1.0000 Eu+++ = EuCO3+ +1.0000 H+
-llnl_gamma 4.0
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+002 5.3819e-002 -6.9908e+003 -9.3137e+001 -1.0915e+002
# -Range: 0-300
1.0000 Eu++ + 1.0000 Cl- = EuCl+
-llnl_gamma 4.0
log_k +0.3819
-delta_H 8.50607 kJ/mol # Calculated enthalpy of reaction EuCl+
# Enthalpy of formation: -164 kcal/mol
-analytic 6.8695e+001 3.7619e-002 -1.0809e+003 -3.0665e+001 -1.6887e+001
# -Range: 0-300
1.0000 Eu+++ + 1.0000 Cl- = EuCl++
-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+001 3.7878e-002 -1.7895e+003 -3.4041e+001 -2.7947e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Eu++ = EuCl2
-llnl_gamma 3.0
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+002 6.7132e-002 -7.0448e+002 -4.8928e+001 -1.1024e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Eu+++ = EuCl2+
-llnl_gamma 4.0
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+002 8.0336e-002 -5.5499e+003 -9.0087e+001 -8.6665e+001
# -Range: 0-300
3.0000 Cl- + 1.0000 Eu+++ = EuCl3
-llnl_gamma 3.0
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+002 1.2890e-001 -1.1288e+004 -1.7043e+002 -1.7627e+002
# -Range: 0-300
3.0000 Cl- + 1.0000 Eu++ = EuCl3-
-llnl_gamma 4.0
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+001 6.4683e-002 3.7299e+003 -1.6672e+001 5.8196e+001
# -Range: 0-300
4.0000 Cl- + 1.0000 Eu+++ = EuCl4-
-llnl_gamma 4.0
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+002 1.3081e-001 -1.2950e+004 -1.9302e+002 -2.0222e+002
# -Range: 0-300
4.0000 Cl- + 1.0000 Eu++ = EuCl4--
-llnl_gamma 4.0
log_k +2.8470
-delta_H -19.9493 kJ/mol # Calculated enthalpy of reaction EuCl4-2
# Enthalpy of formation: -290.6 kcal/mol
-analytic -1.2842e+002 5.0789e-002 9.8815e+003 3.3565e+001 1.5423e+002
# -Range: 0-300
1.0000 F- + 1.0000 Eu++ = EuF+
-llnl_gamma 4.0
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+001 3.5839e-002 -1.3660e+003 -2.8223e+001 -2.1333e+001
# -Range: 0-300
1.0000 F- + 1.0000 Eu+++ = EuF++
-llnl_gamma 4.5
log_k +4.4420
-delta_H 23.6396 kJ/mol # Calculated enthalpy of reaction EuF+2
# Enthalpy of formation: -219.2 kcal/mol
-analytic 1.0063e+002 4.1834e-002 -2.7355e+003 -4.0195e+001 -4.2714e+001
# -Range: 0-300
2.0000 F- + 1.0000 Eu++ = EuF2
-llnl_gamma 3.0
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+002 7.1705e-002 -1.7998e+003 -5.5760e+001 -2.8121e+001
# -Range: 0-300
2.0000 F- + 1.0000 Eu+++ = EuF2+
-llnl_gamma 4.0
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+002 8.4714e-002 -5.7702e+003 -9.6640e+001 -9.0109e+001
# -Range: 0-300
3.0000 F- + 1.0000 Eu+++ = EuF3
-llnl_gamma 3.0
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+002 1.3560e-001 -1.0801e+004 -1.7951e+002 -1.6867e+002
# -Range: 0-300
3.0000 F- + 1.0000 Eu++ = EuF3-
-llnl_gamma 4.0
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+001 5.5972e-002 4.4573e+003 -2.2782e+000 6.9558e+001
# -Range: 0-300
4.0000 F- + 1.0000 Eu+++ = EuF4-
-llnl_gamma 4.0
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+002 1.3629e-001 -1.1092e+004 -1.9952e+002 -1.7323e+002
# -Range: 0-300
4.0000 F- + 1.0000 Eu++ = EuF4--
-llnl_gamma 4.0
log_k -2.8294
-delta_H -37.656 kJ/mol # Calculated enthalpy of reaction EuF4-2
# Enthalpy of formation: -455.7 kcal/mol
-analytic -1.8730e+002 3.9237e-002 1.2303e+004 5.3179e+001 1.9204e+002
# -Range: 0-300
1.0000 HPO4-- + 1.0000 H+ + 1.0000 Eu+++ = EuH2PO4++
-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+002 6.3416e-002 2.7202e+002 -4.8113e+001 4.2122e+000
# -Range: 0-300
1.0000 HCO3- + 1.0000 Eu+++ = EuHCO3++
-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+001 3.1608e-002 -9.8731e+001 -1.8875e+001 -1.5524e+000
# -Range: 0-300
1.0000 HPO4-- + 1.0000 Eu+++ = EuHPO4+
-llnl_gamma 4.0
log_k +5.7000
-delta_H 0 # Not possible to calculate enthalpy of reaction EuHPO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 IO3- + 1.0000 Eu+++ = EuIO3++
-llnl_gamma 4.5
log_k +2.1560
-delta_H 11.8314 kJ/mol # Calculated enthalpy of reaction EuIO3+2
# Enthalpy of formation: -814.927 kJ/mol
-analytic 1.4970e+002 4.7369e-002 -4.1559e+003 -5.9687e+001 -6.4893e+001
# -Range: 0-300
1.0000 NO3- + 1.0000 Eu+++ = EuNO3++
-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+001 2.5467e-002 2.2683e+003 -1.2810e+001 3.5389e+001
# -Range: 0-300
1.0000 H2O + 1.0000 Eu+++ = EuO+ +2.0000 H+
-llnl_gamma 4.0
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+002 3.0194e-002 -1.3836e+004 -6.7770e+001 -2.1595e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Eu+++ = EuO2- +4.0000 H+
-llnl_gamma 4.0
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+001 3.7089e-004 -1.3587e+004 -2.3859e+001 -4.6713e+005
# -Range: 0-300
2.0000 H2O + 1.0000 Eu+++ = EuO2H +3.0000 H+
-llnl_gamma 3.0
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+002 5.3868e-002 -2.4034e+004 -1.3272e+002 -3.7514e+002
# -Range: 0-300
2.0000 HCO3- + 1.0000 H2O + 1.0000 Eu+++ = EuOH(CO3)2-- +3.0000 H+
-llnl_gamma 4.0
log_k -15.176
-delta_H 0 # Not possible to calculate enthalpy of reaction EuOH(CO3)2-2
# Enthalpy of formation: -0 kcal/mol
1.0000 H2O + 1.0000 Eu+++ = EuOH++ +1.0000 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+001 1.2066e-002 -6.1871e+003 -2.3617e+001 -9.6563e+001
# -Range: 0-300
1.0000 HCO3- + 1.0000 H2O + 1.0000 Eu+++ = EuOHCO3 +2.0000 H+
-llnl_gamma 3.0
log_k -8.4941
-delta_H 0 # Not possible to calculate enthalpy of reaction EuOHCO3
# Enthalpy of formation: -0 kcal/mol
1.0000 HPO4-- + 1.0000 Eu+++ = EuPO4 +1.0000 H+
-llnl_gamma 3.0
log_k -0.1218
-delta_H 0 # Not possible to calculate enthalpy of reaction EuPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Eu+++ = EuSO4+
-llnl_gamma 4.0
log_k +3.6430
-delta_H 62.3416 kJ/mol # Calculated enthalpy of reaction EuSO4+
# Enthalpy of formation: -347.2 kcal/mol
-analytic 3.0587e+002 8.6208e-002 -9.0387e+003 -1.2026e+002 -1.4113e+002
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Fe++ = Fe(CH3COO)2 +2.0000 H+
-llnl_gamma 3.0
log_k -7.0295
-delta_H -20.2924 kJ/mol # Calculated enthalpy of reaction Fe(CH3COO)2
# Enthalpy of formation: -259.1 kcal/mol
-analytic -2.9862e+001 1.3901e-003 -1.6908e+003 8.6283e+000 6.0125e+005
# -Range: 0-300
2.0000 H2O + 1.0000 Fe++ = Fe(OH)2 +2.0000 H+
-llnl_gamma 3.0
log_k -20.6
-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)2
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 Fe+++ = Fe(OH)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -5.67
-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)2+
# Enthalpy of formation: -0 kcal/mol
3.0000 H2O + 1.0000 Fe+++ = Fe(OH)3 +3.0000 H+
-llnl_gamma 3.0
log_k -12
-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)3
# Enthalpy of formation: -0 kcal/mol
3.0000 H2O + 1.0000 Fe++ = Fe(OH)3- +3.0000 H+
-llnl_gamma 4.0
log_k -31
-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)3-
# Enthalpy of formation: -0 kcal/mol
4.0000 H2O + 1.0000 Fe+++ = Fe(OH)4- +4.0000 H+
-llnl_gamma 4.0
log_k -21.6
-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)4-
# Enthalpy of formation: -0 kcal/mol
4.0000 H2O + 1.0000 Fe++ = Fe(OH)4-- +4.0000 H+
-llnl_gamma 4.0
log_k -46
-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)4-2
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 Fe+++ = Fe(SO4)2-
-llnl_gamma 4.0
log_k +3.2137
-delta_H 0 # Not possible to calculate enthalpy of reaction Fe(SO4)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 2.0000 Fe+++ = Fe2(OH)2++++ +2.0000 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
4.0000 H2O + 3.0000 Fe+++ = Fe3(OH)4+5 +4.0000 H+
-llnl_gamma 6.0
log_k -6.3
-delta_H 0 # Not possible to calculate enthalpy of reaction Fe3(OH)4+5
# Enthalpy of formation: -0 kcal/mol
1.0000 Fe++ + 1.0000 CH3COOH = FeCH3COO+ +1.0000 H+
-llnl_gamma 4.0
log_k -3.4671
-delta_H -3.80744 kJ/mol # Calculated enthalpy of reaction FeCH3COO+
# Enthalpy of formation: -139.06 kcal/mol
-analytic -1.3781e+001 9.6253e-004 -7.5310e+002 4.0135e+000 2.3416e+005
# -Range: 0-300
1.0000 HCO3- + 1.0000 Fe++ = FeCO3 +1.0000 H+
-llnl_gamma 3.0
log_k -5.5988
-delta_H 0 # Not possible to calculate enthalpy of reaction FeCO3
# Enthalpy of formation: -0 kcal/mol
1.0000 HCO3- + 1.0000 Fe+++ = FeCO3+ +1.0000 H+
-llnl_gamma 4.0
log_k -0.6088
-delta_H -50.208 kJ/mol # Calculated enthalpy of reaction FeCO3+
# Enthalpy of formation: -188.748 kcal/mol
-analytic 1.7100e+002 8.0413e-002 -4.3217e+002 -7.8449e+001 -6.7948e+000
# -Range: 0-300
1.0000 Fe++ + 1.0000 Cl- = FeCl+
-llnl_gamma 4.0
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+001 3.7755e-002 -1.4765e+003 -3.5918e+001 -2.3064e+001
# -Range: 0-300
1.0000 Fe+++ + 1.0000 Cl- = FeCl++
-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+002 5.9436e-002 -5.1913e+003 -6.5852e+001 -8.1053e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Fe++ = FeCl2
-llnl_gamma 3.0
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+002 7.8070e-002 -4.1048e+003 -8.2292e+001 -6.4108e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Fe+++ = FeCl2+
-llnl_gamma 4.0
log_k +2.1300
-delta_H 0 # Not possible to calculate enthalpy of reaction FeCl2+
# Enthalpy of formation: -0 kcal/mol
4.0000 Cl- + 1.0000 Fe+++ = FeCl4-
-llnl_gamma 4.0
log_k -0.79
-delta_H 0 # Not possible to calculate enthalpy of reaction FeCl4-
# Enthalpy of formation: -0 kcal/mol
4.0000 Cl- + 1.0000 Fe++ = FeCl4--
-llnl_gamma 4.0
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+002 -6.0086e-003 9.7979e+003 8.4084e+001 1.5296e+002
# -Range: 0-300
1.0000 Fe++ + 1.0000 F- = FeF+
-llnl_gamma 4.0
log_k +1.3600
-delta_H 0 # Not possible to calculate enthalpy of reaction FeF+
# Enthalpy of formation: -0 kcal/mol
1.0000 Fe+++ + 1.0000 F- = FeF++
-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+002 6.3754e-002 -4.3166e+003 -7.1052e+001 -6.7408e+001
# -Range: 0-300
2.0000 F- + 1.0000 Fe+++ = FeF2+
-llnl_gamma 4.0
log_k +8.3498
-delta_H 23.9776 kJ/mol # Calculated enthalpy of reaction FeF2+
# Enthalpy of formation: -696.298 kJ/mol
-analytic 2.9080e+002 1.0393e-001 -7.2118e+003 -1.1688e+002 -1.1262e+002
# -Range: 0-300
1.0000 HPO4-- + 1.0000 H+ + 1.0000 Fe++ = FeH2PO4+
-llnl_gamma 4.0
log_k +2.7000
-delta_H 0 # Not possible to calculate enthalpy of reaction FeH2PO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 HPO4-- + 1.0000 H+ + 1.0000 Fe+++ = FeH2PO4++
-llnl_gamma 4.5
log_k +4.1700
-delta_H 0 # Not possible to calculate enthalpy of reaction FeH2PO4+2
# Enthalpy of formation: -0 kcal/mol
1.0000 HCO3- + 1.0000 Fe++ = FeHCO3+
-llnl_gamma 4.0
log_k +2.7200
-delta_H 0 # Not possible to calculate enthalpy of reaction FeHCO3+
# Enthalpy of formation: -0 kcal/mol
1.0000 HPO4-- + 1.0000 Fe++ = FeHPO4
-llnl_gamma 3.0
log_k +3.6000
-delta_H 0 # Not possible to calculate enthalpy of reaction FeHPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 HPO4-- + 1.0000 Fe+++ = FeHPO4+
-llnl_gamma 4.0
log_k +10.1800
-delta_H 0 # Not possible to calculate enthalpy of reaction FeHPO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 NO2- + 1.0000 Fe+++ = FeNO2++
-llnl_gamma 4.5
log_k +3.1500
-delta_H 0 # Not possible to calculate enthalpy of reaction FeNO2+2
# Enthalpy of formation: -0 kcal/mol
1.0000 NO3- + 1.0000 Fe+++ = FeNO3++
-llnl_gamma 4.5
log_k +1.0000
-delta_H 0 # Not possible to calculate enthalpy of reaction FeNO3+2
# Enthalpy of formation: -0 kcal/mol
1.0000 H2O + 1.0000 Fe++ = FeOH+ +1.0000 H+
-llnl_gamma 4.0
log_k -9.5
-delta_H 0 # Not possible to calculate enthalpy of reaction FeOH+
# Enthalpy of formation: -0 kcal/mol
1.0000 H2O + 1.0000 Fe+++ = FeOH++ +1.0000 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
1.0000 HPO4-- + 1.0000 Fe++ = FePO4- +1.0000 H+
-llnl_gamma 4.0
log_k -4.3918
-delta_H 0 # Not possible to calculate enthalpy of reaction FePO4-
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Fe++ = FeSO4
-llnl_gamma 3.0
log_k +2.2000
-delta_H 0 # Not possible to calculate enthalpy of reaction FeSO4
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Fe+++ = FeSO4+
-llnl_gamma 4.0
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+002 1.0080e-001 -6.0977e+003 -1.0483e+002 -9.5223e+001
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Gd+++ = Gd(CH3COO)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -4.9625
-delta_H -22.3426 kJ/mol # Calculated enthalpy of reaction Gd(CH3COO)2+
# Enthalpy of formation: -401.74 kcal/mol
-analytic -4.3124e+001 1.2995e-004 -4.3494e+002 1.3677e+001 5.1224e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Gd+++ = Gd(CH3COO)3 +3.0000 H+
-llnl_gamma 3.0
log_k -8.3489
-delta_H -37.9907 kJ/mol # Calculated enthalpy of reaction Gd(CH3COO)3
# Enthalpy of formation: -521.58 kcal/mol
-analytic -8.8296e+001 -5.0939e-003 1.2268e+003 2.8513e+001 6.0745e+005
# -Range: 0-300
2.0000 HCO3- + 1.0000 Gd+++ = Gd(CO3)2- +2.0000 H+
-llnl_gamma 4.0
log_k -7.5576
-delta_H 0 # Not possible to calculate enthalpy of reaction Gd(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Gd+++ = Gd(HPO4)2-
-llnl_gamma 4.0
log_k +9.6000
-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
2.0000 HPO4-- + 1.0000 Gd+++ = Gd(PO4)2--- +2.0000 H+
-llnl_gamma 4.0
log_k -3.9437
-delta_H 0 # Not possible to calculate enthalpy of reaction Gd(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 Gd+++ = Gd(SO4)2-
-llnl_gamma 4.0
log_k +5.1000
-delta_H 0 # Not possible to calculate enthalpy of reaction Gd(SO4)2-
# Enthalpy of formation: -0 kcal/mol
1.0000 Gd+++ + 1.0000 CH3COOH = GdCH3COO++ +1.0000 H+
-llnl_gamma 4.5
log_k -2.1037
-delta_H -11.7152 kJ/mol # Calculated enthalpy of reaction GdCH3COO+2
# Enthalpy of formation: -283.1 kcal/mol
-analytic -1.4118e+001 1.6660e-003 -7.5206e+002 4.2614e+000 3.1187e+005
# -Range: 0-300
1.0000 HCO3- + 1.0000 Gd+++ = GdCO3+ +1.0000 H+
-llnl_gamma 4.0
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+002 5.4100e-002 -7.0746e+003 -9.3413e+001 -1.1046e+002
# -Range: 0-300
1.0000 Gd+++ + 1.0000 Cl- = GdCl++
-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 8.0750e+001 3.8524e-002 -1.8591e+003 -3.4621e+001 -2.9034e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Gd+++ = GdCl2+
-llnl_gamma 4.0
log_k -0.0425
-delta_H 21.1961 kJ/mol # Calculated enthalpy of reaction GdCl2+
# Enthalpy of formation: -239 kcal/mol
-analytic 2.1754e+002 8.0996e-002 -5.6121e+003 -9.0067e+001 -8.7635e+001
# -Range: 0-300
3.0000 Cl- + 1.0000 Gd+++ = GdCl3
-llnl_gamma 3.0
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+002 1.2829e-001 -1.1230e+004 -1.6770e+002 -1.7535e+002
# -Range: 0-300
4.0000 Cl- + 1.0000 Gd+++ = GdCl4-
-llnl_gamma 4.0
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+002 1.3157e-001 -1.3068e+004 -1.9118e+002 -2.0405e+002
# -Range: 0-300
1.0000 Gd+++ + 1.0000 F- = GdF++
-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 1.0060e+002 4.2181e-002 -2.6024e+003 -4.0347e+001 -4.0637e+001
# -Range: 0-300
2.0000 F- + 1.0000 Gd+++ = GdF2+
-llnl_gamma 4.0
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+002 8.4732e-002 -5.4950e+003 -9.5689e+001 -8.5815e+001
# -Range: 0-300
3.0000 F- + 1.0000 Gd+++ = GdF3
-llnl_gamma 3.0
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+002 1.3500e-001 -1.0377e+004 -1.7680e+002 -1.6205e+002
# -Range: 0-300
4.0000 F- + 1.0000 Gd+++ = GdF4-
-llnl_gamma 4.0
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+002 1.3534e-001 -1.0586e+004 -1.9501e+002 -1.6533e+002
# -Range: 0-300
1.0000 HPO4-- + 1.0000 H+ + 1.0000 Gd+++ = GdH2PO4++
-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+002 6.4124e-002 1.3451e+002 -4.8758e+001 2.0660e+000
# -Range: 0-300
1.0000 HCO3- + 1.0000 Gd+++ = GdHCO3++
-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+001 3.2521e-002 -2.3475e+002 -1.9864e+001 -3.6757e+000
# -Range: 0-300
1.0000 HPO4-- + 1.0000 Gd+++ = GdHPO4+
-llnl_gamma 4.0
log_k -185.109
-delta_H 0 # Not possible to calculate enthalpy of reaction GdHPO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 NO3- + 1.0000 Gd+++ = GdNO3++
-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+001 2.6372e-002 1.8785e+003 -1.3723e+001 2.9306e+001
# -Range: 0-300
1.0000 H2O + 1.0000 Gd+++ = GdO+ +2.0000 H+
-llnl_gamma 4.0
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+002 3.2521e-002 -1.4547e+004 -7.4048e+001 -2.2705e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Gd+++ = GdO2- +4.0000 H+
-llnl_gamma 4.0
log_k -34.4333
-delta_H 283.817 kJ/mol # Calculated enthalpy of reaction GdO2-
# Enthalpy of formation: -233 kcal/mol
-analytic 1.2067e+002 6.6276e-003 -1.5531e+004 -4.0448e+001 -4.3587e+005
# -Range: 0-300
2.0000 H2O + 1.0000 Gd+++ = GdO2H +3.0000 H+
-llnl_gamma 3.0
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+002 4.7938e-002 -2.4275e+004 -1.2988e+002 -3.7889e+002
# -Range: 0-300
1.0000 H2O + 1.0000 Gd+++ = GdOH++ +1.0000 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+001 1.4153e-002 -6.8229e+003 -2.9301e+001 -1.0649e+002
# -Range: 0-300
1.0000 HPO4-- + 1.0000 Gd+++ = GdPO4 +1.0000 H+
-llnl_gamma 3.0
log_k -0.1218
-delta_H 0 # Not possible to calculate enthalpy of reaction GdPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Gd+++ = GdSO4+
-llnl_gamma 4.0
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+002 8.6798e-002 -1.1246e+004 -1.2109e+002 -1.7557e+002
# -Range: 0-300
1.0000 O_phthalate-2 + 1.0000 H+ = H(O_phthalate)-
-llnl_gamma 4.0
log_k +5.4080
-delta_H 0 # Not possible to calculate enthalpy of reaction H(O_phthalate)-
# Enthalpy of formation: -0 kcal/mol
2.0000 H+ + 1.0000 CrO4-- = H2CrO4
-llnl_gamma 3.0
log_k +5.1750
-delta_H 42.8274 kJ/mol # Calculated enthalpy of reaction H2CrO4
# Enthalpy of formation: -200.364 kcal/mol
-analytic 4.2958e+002 1.4939e-001 -1.1474e+004 -1.7396e+002 -1.9499e+002
# -Range: 0-200
2.0000 H+ + 2.0000 F- = H2F2
-llnl_gamma 3.0
log_k +6.7680
-delta_H 0 # Not possible to calculate enthalpy of reaction H2F2
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 2.0000 H+ = H2P2O7-- +1.0000 H2O
-llnl_gamma 4.0
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+002 6.7021e-002 -2.8329e+003 -5.9251e+001 -4.4248e+001
# -Range: 0-300
3.0000 H+ + 1.0000 HPO4-- + 1.0000 F- = H2PO3F +1.0000 H2O
-llnl_gamma 3.0
log_k +12.1047
-delta_H 0 # Not possible to calculate enthalpy of reaction H2PO3F
# Enthalpy of formation: -0 kcal/mol
1.0000 HPO4-- + 1.0000 H+ = H2PO4-
-llnl_gamma 4.0
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+001 3.4077e-002 -1.0431e+003 -3.2970e+001 -1.6301e+001
# -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
1.0000 HS- + 1.0000 H+ = H2S
-llnl_gamma 3.0
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+001 2.8727e-002 1.3477e+003 -1.8331e+001 2.1018e+001
# -Range: 0-300
2.0000 H+ + 1.0000 SO3-- = H2SO3
-llnl_gamma 3.0
log_k +9.2132
-delta_H 0 # Not possible to calculate enthalpy of reaction H2SO3
# Enthalpy of formation: -0 kcal/mol
2.0000 H+ + 1.0000 SO4-- = H2SO4
-llnl_gamma 3.0
log_k -1.0209
-delta_H 0 # Not possible to calculate enthalpy of reaction H2SO4
# Enthalpy of formation: -0 kcal/mol
2.0000 H+ + 1.0000 Se-- = H2Se
-llnl_gamma 3.0
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+002 1.2855e-001 -5.5900e+003 -1.4946e+002 -9.5054e+001
# -Range: 0-200
2.0000 H+ + 1.0000 SeO3-- = H2SeO3
-llnl_gamma 3.0
log_k +9.8589
-delta_H 1.7238 kJ/mol # Calculated enthalpy of reaction H2SeO3
# Enthalpy of formation: -507.469 kJ/mol
-analytic 2.7850e+002 1.0460e-001 -5.4934e+003 -1.1371e+002 -9.3383e+001
# -Range: 0-200
2.0000 H2O + 1.0000 SiO2 = H2SiO4-- +2.0000 H+
-llnl_gamma 4.0
log_k -22.96
-delta_H 0 # Not possible to calculate enthalpy of reaction H2SiO4-2
# Enthalpy of formation: -0 kcal/mol
2.0000 H+ + 1.0000 TcO4-- = H2TcO4
-llnl_gamma 3.0
log_k +9.0049
-delta_H 0 # Not possible to calculate enthalpy of reaction H2TcO4
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 VO2+ = H2VO4- + 2.0000 H+
-llnl_gamma 4.0
log_k -7.0922
-delta_H 0 # Not possible to calculate enthalpy of reaction H2VO4-
# Enthalpy of formation: -0 kcal/mol
-analytic 1.7105e+001 -1.7503e-002 -4.2671e+003 -1.8910e+000 -6.6589e+001
# -Range: 0-300
1.0000 H2AsO4- + 1.0000 H+ = H3AsO4
-llnl_gamma 3.0
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+002 4.6288e-002 -3.5868e+003 -5.6560e+001 -6.0957e+001
# -Range: 0-200
3.0000 H+ + 2.0000 HPO4-- = H3P2O7- +1.0000 H2O
-llnl_gamma 4.0
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+002 1.0161e-001 -4.3723e+003 -9.4050e+001 -6.8295e+001
# -Range: 0-300
2.0000 H+ + 1.0000 HPO4-- = H3PO4
-llnl_gamma 3.0
log_k +9.3751
-delta_H 3.74468 kJ/mol # Calculated enthalpy of reaction H3PO4
# Enthalpy of formation: -307.92 kcal/mol
-analytic 1.8380e+002 6.7320e-002 -3.7792e+003 -7.3463e+001 -5.9025e+001
# -Range: 0-300
8.0000 H2O + 4.0000 SiO2 = H4(H2SiO4)4---- +4.0000 H+
-llnl_gamma 4.0
log_k -35.94
-delta_H 0 # Not possible to calculate enthalpy of reaction H4(H2SiO4)4-4
# Enthalpy of formation: -0 kcal/mol
4.0000 H+ + 2.0000 HPO4-- = H4P2O7 +1.0000 H2O
-llnl_gamma 3.0
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+002 2.4309e-001 -1.6165e+004 -2.7989e+002 -2.7475e+002
# -Range: 0-200
8.0000 H2O + 4.0000 SiO2 = H6(H2SiO4)4-- +2.0000 H+
-llnl_gamma 4.0
log_k -13.64
-delta_H 0 # Not possible to calculate enthalpy of reaction H6(H2SiO4)4-2
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 Al+++ = HAlO2 +3.0000 H+
-llnl_gamma 3.0
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+001 1.9980e-002 -7.7847e+003 -1.5470e+001 -1.2149e+002
# -Range: 0-300
1.0000 H2AsO3- + 1.0000 H+ = HAsO2 +1.0000 H2O
-llnl_gamma 3.0
log_k 9.2792
-delta_H 0 # Not possible to calculate enthalpy of reaction HAsO2
# Enthalpy of formation: -0 kcal/mol
-analytic 3.1290e+002 9.3052e-002 -6.5052e+003 -1.2510e+002 -1.1058e+002
# -Range: 0-200
1.0000 H2AsO4- + 1.0000 H+ + 1.0000 F- = HAsO3F- +1.0000 H2O
-llnl_gamma 4.0
log_k +46.1158
-delta_H 0 # Not possible to calculate enthalpy of reaction HAsO3F-
# Enthalpy of formation: -0 kcal/mol
1.0000 H2AsO4- = HAsO4-- +1.0000 H+
-llnl_gamma 4.0
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+001 -3.4630e-002 1.1829e+003 3.3997e+001 1.8483e+001
# -Range: 0-300
3.0000 H+ + 2.0000 HS- + 1.0000 H2AsO3- = HAsS2 +3.0000 H2O
-llnl_gamma 3.0
log_k +30.4803
-delta_H 0 # Not possible to calculate enthalpy of reaction HAsS2
# Enthalpy of formation: -0 kcal/mol
1.0000 H+ + 1.0000 BrO- = HBrO
-llnl_gamma 3.0
log_k +8.3889
-delta_H 0 # Not possible to calculate enthalpy of reaction HBrO
# Enthalpy of formation: -0 kcal/mol
1.0000 H+ + 1.0000 Cyanide- = HCyanide
-llnl_gamma 3.0
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+001 2.3105e-002 3.3038e+003 -7.7786e+000 5.1550e+001
# -Range: 0-300
1.0000 H+ + 1.0000 Cl- = HCl
-llnl_gamma 3.0
log_k -0.67
-delta_H 0 # Not possible to calculate enthalpy of reaction HCl
# Enthalpy of formation: -0 kcal/mol
-analytic 4.1893e+002 1.1103e-001 -1.1784e+004 -1.6697e+002 -1.8400e+002
# -Range: 0-300
1.0000 H+ + 1.0000 ClO- = HClO
-llnl_gamma 3.0
log_k +7.5692
-delta_H 0 # Not possible to calculate enthalpy of reaction HClO
# Enthalpy of formation: -0 kcal/mol
1.0000 H+ + 1.0000 ClO2- = HClO2
-llnl_gamma 3.0
log_k +3.1698
-delta_H 0 # Not possible to calculate enthalpy of reaction HClO2
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 Co++ = HCoO2- +3.0000 H+
-llnl_gamma 4.0
log_k -21.243
-delta_H 0 # Not possible to calculate enthalpy of reaction HCoO2-
# Enthalpy of formation: -0 kcal/mol
1.0000 H+ + 1.0000 CrO4-- = HCrO4-
-llnl_gamma 4.0
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+001 3.2740e-002 1.8400e+002 -1.9722e+001 2.8578e+000
# -Range: 0-300
1.0000 H+ + 1.0000 F- = HF
-llnl_gamma 3.0
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+001 3.2861e-002 -2.3026e+003 -3.4559e+001 -3.5956e+001
# -Range: 0-300
2.0000 F- + 1.0000 H+ = HF2-
-llnl_gamma 4.0
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+002 4.0866e-002 -4.6776e+003 -5.5574e+001 -7.3032e+001
# -Range: 0-300
1.0000 IO3- + 1.0000 H+ = HIO3
-llnl_gamma 3.0
log_k +0.4915
-delta_H 0 # Not possible to calculate enthalpy of reaction HIO3
# Enthalpy of formation: -0 kcal/mol
1.0000 N3- + 1.0000 H+ = HN3
-llnl_gamma 3.0
log_k +4.7001
-delta_H -15 kJ/mol # Calculated enthalpy of reaction HN3
# Enthalpy of formation: 260.14 kJ/mol
-analytic 6.9976e+001 2.4359e-002 -7.1947e+002 -2.8339e+001 -1.2242e+001
# -Range: 0-200
1.0000 NO2- + 1.0000 H+ = HNO2
-llnl_gamma 3.0
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+000 -1.1603e-004 0.0000e+000 0.0000e+000 1.1569e+005
# -Range: 0-200
1.0000 NO3- + 1.0000 H+ = HNO3
-llnl_gamma 3.0
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+001 3.4866e-002 -3.0975e+003 -4.0830e+001 -4.8363e+001
# -Range: 0-300
2.0000 HPO4-- + 1.0000 H+ = HP2O7--- +1.0000 H2O
-llnl_gamma 4.0
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+002 1.5438e-001 -8.7071e+003 -1.6283e+002 -1.3598e+002
# -Range: 0-300
2.0000 H+ + 1.0000 HPO4-- + 1.0000 F- = HPO3F- +1.0000 H2O
-llnl_gamma 4.0
log_k +11.2988
-delta_H 0 # Not possible to calculate enthalpy of reaction HPO3F-
# Enthalpy of formation: -0 kcal/mol
1.0000 RuO4 + 1.0000 H2O = HRuO5- +1.0000 H+
-llnl_gamma 4.0
log_k -11.5244
-delta_H 0 # Not possible to calculate enthalpy of reaction HRuO5-
# Enthalpy of formation: -0 kcal/mol
1.0000 H+ + 1.0000 S2O3-- = HS2O3-
-llnl_gamma 4.0
log_k 1.0139
-delta_H 0 # Not possible to calculate enthalpy of reaction HS2O3-
# Enthalpy of formation: -0 kcal/mol
1.0000 SO3-- + 1.0000 H+ = HSO3-
-llnl_gamma 4.0
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+001 3.3623e-002 -5.0120e+002 -2.3040e+001 -7.8373e+000
# -Range: 0-300
1.0000 SO4-- + 1.0000 H+ = HSO4-
-llnl_gamma 4.0
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+001 3.0368e-002 -1.1558e+003 -2.1335e+001 -1.8051e+001
# -Range: 0-300
4.0000 HS- + 3.0000 H+ + 2.0000 Sb(OH)3 = HSb2S4- +6.0000 H2O
-llnl_gamma 4.0
log_k +50.6100
-delta_H 0 # Not possible to calculate enthalpy of reaction HSb2S4-
# Enthalpy of formation: -0 kcal/mol
-analytic 1.7540e+002 8.2177e-002 1.0786e+004 -7.4874e+001 1.6826e+002
# -Range: 0-300
1.0000 SeO3-- + 1.0000 H+ = HSeO3-
-llnl_gamma 4.0
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+001 3.2250e-002 2.9603e+002 -2.1711e+001 4.6044e+000
# -Range: 0-300
1.0000 SeO4-- + 1.0000 H+ = HSeO4-
-llnl_gamma 4.0
log_k +1.9058
-delta_H 17.5728 kJ/mol # Calculated enthalpy of reaction HSeO4-
# Enthalpy of formation: -139 kcal/mol
-analytic 1.4160e+002 3.9801e-002 -4.5392e+003 -5.5088e+001 -7.0872e+001
# -Range: 0-300
1.0000 SiO2 + 1.0000 H2O = HSiO3- +1.0000 H+
-llnl_gamma 4.0
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+001 -2.4872e-002 -1.2707e+004 -1.4681e+001 1.0853e+006
# -Range: 0-300
1.0000 TcO4-- + 1.0000 H+ = HTcO4-
-llnl_gamma 4.0
log_k +8.7071
-delta_H 0 # Not possible to calculate enthalpy of reaction HTcO4-
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 VO2+ = HVO4-- +3.0000 H+
-llnl_gamma 4.0
log_k -15.1553
-delta_H 0 # Not possible to calculate enthalpy of reaction HVO4-2
# Enthalpy of formation: -0 kcal/mol
-analytic -7.0660e+001 -5.2457e-002 -3.5380e+003 3.3534e+001 -5.5186e+001
# -Range: 0-300
5.0000 H2O + 1.0000 Hf++++ = Hf(OH)5- +5.0000 H+
-llnl_gamma 4.0
log_k -17.1754
-delta_H 0 # Not possible to calculate enthalpy of reaction Hf(OH)5-
# Enthalpy of formation: -0 kcal/mol
1.0000 Hf++++ + 1.0000 H2O = HfOH+++ +1.0000 H+
-llnl_gamma 5.0
log_k -0.2951
-delta_H 0 # Not possible to calculate enthalpy of reaction HfOH+3
# Enthalpy of formation: -0 kcal/mol
2.0000 CH3COOH + 1.0000 Hg++ = Hg(CH3COO)2 +2.0000 H+
-llnl_gamma 3.0
log_k -2.6242
-delta_H -30.334 kJ/mol # Calculated enthalpy of reaction Hg(CH3COO)2
# Enthalpy of formation: -198.78 kcal/mol
-analytic -2.1959e+001 2.7774e-003 -3.2500e+003 7.7351e+000 9.1508e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Hg++ = Hg(CH3COO)3- +3.0000 H+
-llnl_gamma 4.0
log_k -4.3247
-delta_H -59.7057 kJ/mol # Calculated enthalpy of reaction Hg(CH3COO)3-
# Enthalpy of formation: -321.9 kcal/mol
-analytic 2.1656e+001 -2.0392e-003 -1.2866e+004 -3.2932e+000 2.3073e+006
# -Range: 0-300
1.0000 Hg++ + 1.0000 CH3COOH = HgCH3COO+ +1.0000 H+
-llnl_gamma 4.0
log_k -0.4691
-delta_H -16.5686 kJ/mol # Calculated enthalpy of reaction HgCH3COO+
# Enthalpy of formation: -79.39 kcal/mol
-analytic -1.6355e+001 1.9446e-003 -2.6676e+002 5.1978e+000 2.9805e+005
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Ho+++ = Ho(CH3COO)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -4.9844
-delta_H -28.1583 kJ/mol # Calculated enthalpy of reaction Ho(CH3COO)2+
# Enthalpy of formation: -407.93 kcal/mol
-analytic -2.7925e+001 2.5599e-003 -1.4779e+003 8.0785e+000 6.3736e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Ho+++ = Ho(CH3COO)3 +3.0000 H+
-llnl_gamma 3.0
log_k -8.3783
-delta_H -47.5721 kJ/mol # Calculated enthalpy of reaction Ho(CH3COO)3
# Enthalpy of formation: -528.67 kcal/mol
-analytic -6.5547e+001 -1.1963e-004 -1.8887e+002 1.9796e+001 7.9041e+005
# -Range: 0-300
2.0000 HCO3- + 1.0000 Ho+++ = Ho(CO3)2- +2.0000 H+
-llnl_gamma 4.0
log_k -7.3576
-delta_H 0 # Not possible to calculate enthalpy of reaction Ho(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Ho+++ = Ho(HPO4)2-
-llnl_gamma 4.0
log_k +9.9000
-delta_H 0 # Not possible to calculate enthalpy of reaction Ho(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Ho+++ = Ho(PO4)2--- +2.0000 H+
-llnl_gamma 4.0
log_k -3.3437
-delta_H 0 # Not possible to calculate enthalpy of reaction Ho(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 Ho+++ = Ho(SO4)2-
-llnl_gamma 4.0
log_k +4.9000
-delta_H 0 # Not possible to calculate enthalpy of reaction Ho(SO4)2-
# Enthalpy of formation: -0 kcal/mol
1.0000 Ho+++ + 1.0000 CH3COOH = HoCH3COO++ +1.0000 H+
-llnl_gamma 4.5
log_k -2.1184
-delta_H -14.3093 kJ/mol # Calculated enthalpy of reaction HoCH3COO+2
# Enthalpy of formation: -288.52 kcal/mol
-analytic -1.8265e+001 1.0753e-003 -6.0695e+002 5.7211e+000 3.3055e+005
# -Range: 0-300
1.0000 Ho+++ + 1.0000 HCO3- = HoCO3+ +1.0000 H+
-llnl_gamma 4.0
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+002 5.4448e-002 -6.9916e+003 -9.4063e+001 -1.0917e+002
# -Range: 0-300
1.0000 Ho+++ + 1.0000 Cl- = HoCl++
-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+001 3.7733e-002 -1.5627e+003 -3.2126e+001 -2.4407e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Ho+++ = HoCl2+
-llnl_gamma 4.0
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+002 7.9025e-002 -4.7775e+003 -8.3582e+001 -7.4607e+001
# -Range: 0-300
3.0000 Cl- + 1.0000 Ho+++ = HoCl3
-llnl_gamma 3.0
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+002 1.2638e-001 -9.8339e+003 -1.5809e+002 -1.5356e+002
# -Range: 0-300
4.0000 Cl- + 1.0000 Ho+++ = HoCl4-
-llnl_gamma 4.0
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+002 1.2576e-001 -1.0495e+004 -1.7172e+002 -1.6388e+002
# -Range: 0-300
1.0000 Ho+++ + 1.0000 F- = HoF++
-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+001 4.1702e-002 -2.4460e+003 -3.8296e+001 -3.8195e+001
# -Range: 0-300
2.0000 F- + 1.0000 Ho+++ = HoF2+
-llnl_gamma 4.0
log_k +8.2976
-delta_H 11.7152 kJ/mol # Calculated enthalpy of reaction HoF2+
# Enthalpy of formation: -326.5 kcal/mol
-analytic 2.2330e+002 8.3497e-002 -4.9105e+003 -9.0272e+001 -7.6690e+001
# -Range: 0-300
3.0000 F- + 1.0000 Ho+++ = HoF3
-llnl_gamma 3.0
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+002 1.3308e-001 -9.2193e+003 -1.6717e+002 -1.4398e+002
# -Range: 0-300
4.0000 F- + 1.0000 Ho+++ = HoF4-
-llnl_gamma 4.0
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+002 1.3182e-001 -8.5485e+003 -1.7916e+002 -1.3352e+002
# -Range: 0-300
1.0000 Ho+++ + 1.0000 HPO4-- + 1.0000 H+ = HoH2PO4++
-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+002 6.3161e-002 5.5160e+002 -4.6035e+001 8.5766e+000
# -Range: 0-300
1.0000 Ho+++ + 1.0000 HCO3- = HoHCO3++
-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 3.3420e+001 3.1394e-002 1.9804e+002 -1.6859e+001 3.0801e+000
# -Range: 0-300
1.0000 Ho+++ + 1.0000 HPO4-- = HoHPO4+
-llnl_gamma 4.0
log_k +5.8000
-delta_H 0 # Not possible to calculate enthalpy of reaction HoHPO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 NO3- + 1.0000 Ho+++ = HoNO3++
-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+001 2.5142e-002 2.3943e+003 -1.0650e+001 3.7358e+001
# -Range: 0-300
1.0000 Ho+++ + 1.0000 H2O = HoO+ +2.0000 H+
-llnl_gamma 4.0
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+002 3.0627e-002 -1.3817e+004 -6.8846e+001 -2.1565e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Ho+++ = HoO2- +4.0000 H+
-llnl_gamma 4.0
log_k -33.4804
-delta_H 274.613 kJ/mol # Calculated enthalpy of reaction HoO2-
# Enthalpy of formation: -240 kcal/mol
-analytic 1.7987e+002 1.2731e-002 -2.0007e+004 -6.0642e+001 -3.1224e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Ho+++ = HoO2H +3.0000 H+
-llnl_gamma 3.0
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+002 4.6282e-002 -2.2925e+004 -1.2133e+002 -3.5782e+002
# -Range: 0-300
1.0000 Ho+++ + 1.0000 H2O = HoOH++ +1.0000 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+001 1.2657e-002 -6.2461e+003 -2.5018e+001 -9.7485e+001
# -Range: 0-300
1.0000 Ho+++ + 1.0000 HPO4-- = HoPO4 +1.0000 H+
-llnl_gamma 3.0
log_k +0.2782
-delta_H 0 # Not possible to calculate enthalpy of reaction HoPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Ho+++ = HoSO4+
-llnl_gamma 4.0
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+002 8.6579e-002 -9.0693e+003 -1.2078e+002 -1.4161e+002
# -Range: 0-300
2.0000 CH3COOH + 1.0000 K+ = K(CH3COO)2- +2.0000 H+
-llnl_gamma 4.0
log_k -10.2914
-delta_H -1.79912 kJ/mol # Calculated enthalpy of reaction K(CH3COO)2-
# Enthalpy of formation: -292.9 kcal/mol
-analytic -2.3036e+002 -4.6369e-002 7.0305e+003 8.4997e+001 1.0977e+002
# -Range: 0-300
1.0000 K+ + 1.0000 Br- = KBr
-llnl_gamma 3.0
log_k -1.7372
-delta_H 12.5102 kJ/mol # Calculated enthalpy of reaction KBr
# Enthalpy of formation: -86.32 kcal/mol
-analytic 1.1320e+002 3.4227e-002 -3.6401e+003 -4.5633e+001 -5.6833e+001
# -Range: 0-300
1.0000 K+ + 1.0000 CH3COOH = KCH3COO +1.0000 H+
-llnl_gamma 3.0
log_k -5.0211
-delta_H 4.8116 kJ/mol # Calculated enthalpy of reaction KCH3COO
# Enthalpy of formation: -175.22 kcal/mol
-analytic -2.6676e-001 -3.2675e-003 -1.7143e+003 -7.1907e-003 1.7726e+005
# -Range: 0-300
1.0000 K+ + 1.0000 Cl- = KCl
-llnl_gamma 3.0
log_k -1.4946
-delta_H 14.1963 kJ/mol # Calculated enthalpy of reaction KCl
# Enthalpy of formation: -96.81 kcal/mol
-analytic 1.3650e+002 3.8405e-002 -4.4014e+003 -5.4421e+001 -6.8721e+001
# -Range: 0-300
1.0000 K+ + 1.0000 HPO4-- = KHPO4-
-llnl_gamma 4.0
log_k +0.7800
-delta_H 0 # Not possible to calculate enthalpy of reaction KHPO4-
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 K+ + 1.0000 H+ = KHSO4
-llnl_gamma 3.0
log_k +0.8136
-delta_H 29.8319 kJ/mol # Calculated enthalpy of reaction KHSO4
# Enthalpy of formation: -270.54 kcal/mol
-analytic 1.2620e+002 5.7349e-002 -3.3670e+003 -5.3003e+001 -5.2576e+001
# -Range: 0-300
1.0000 K+ + 1.0000 I- = KI
-llnl_gamma 3.0
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+002 3.3683e-002 -3.2143e+003 -4.4054e+001 -5.0187e+001
# -Range: 0-300
1.0000 K+ + 1.0000 H2O = KOH +1.0000 H+
-llnl_gamma 3.0
log_k -14.46
-delta_H 0 # Not possible to calculate enthalpy of reaction KOH
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 K+ = KP2O7--- +1.0000 H2O
-llnl_gamma 4.0
log_k -1.4286
-delta_H 34.1393 kJ/mol # Calculated enthalpy of reaction KP2O7-3
# Enthalpy of formation: -2516.36 kJ/mol
-analytic 4.1930e+002 1.4676e-001 -1.1169e+004 -1.7255e+002 -1.7441e+002
# -Range: 0-300
1.0000 SO4-- + 1.0000 K+ = KSO4-
-llnl_gamma 4.0
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+001 3.7817e-002 -2.1628e+003 -4.1297e+001 -3.3779e+001
# -Range: 0-300
2.0000 CH3COOH + 1.0000 La+++ = La(CH3COO)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -5.3949
-delta_H -23.1375 kJ/mol # Calculated enthalpy of reaction La(CH3COO)2+
# Enthalpy of formation: -407.33 kcal/mol
-analytic -1.2805e+001 2.8482e-003 -2.2521e+003 2.9108e+000 6.1659e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 La+++ = La(CH3COO)3 +3.0000 H+
-llnl_gamma 3.0
log_k -8.5982
-delta_H -41.9237 kJ/mol # Calculated enthalpy of reaction La(CH3COO)3
# Enthalpy of formation: -527.92 kcal/mol
-analytic -3.3456e+001 1.2371e-003 -1.5978e+003 8.6343e+000 7.5717e+005
# -Range: 0-300
2.0000 HCO3- + 1.0000 La+++ = La(CO3)2- +2.0000 H+
-llnl_gamma 4.0
log_k -8.8576
-delta_H 0 # Not possible to calculate enthalpy of reaction La(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 La+++ = La(HPO4)2-
-llnl_gamma 4.0
log_k +8.4000
-delta_H 0 # Not possible to calculate enthalpy of reaction La(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 La+++ = La(PO4)2--- +2.0000 H+
-llnl_gamma 4.0
log_k -7.0437
-delta_H 0 # Not possible to calculate enthalpy of reaction La(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 La+++ = La(SO4)2-
-llnl_gamma 4.0
log_k +5.1000
-delta_H 0 # Not possible to calculate enthalpy of reaction La(SO4)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 La+++ + 2.0000 H2O = La2(OH)2++++ +2.0000 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
9.0000 H2O + 5.0000 La+++ = La5(OH)9+6 +9.0000 H+
-llnl_gamma 6.0
log_k -71.1557
-delta_H 0 # Not possible to calculate enthalpy of reaction La5(OH)9+6
# Enthalpy of formation: -0 kcal/mol
1.0000 La+++ + 1.0000 CH3COOH = LaCH3COO++ +1.0000 H+
-llnl_gamma 4.5
log_k -2.2063
-delta_H -12.5938 kJ/mol # Calculated enthalpy of reaction LaCH3COO+2
# Enthalpy of formation: -288.71 kcal/mol
-analytic -1.0803e+001 8.5239e-004 -1.1143e+003 3.3273e+000 3.4305e+005
# -Range: 0-300
1.0000 La+++ + 1.0000 HCO3- = LaCO3+ +1.0000 H+
-llnl_gamma 4.0
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+002 5.2419e-002 -7.1063e+003 -9.1109e+001 -1.1095e+002
# -Range: 0-300
1.0000 La+++ + 1.0000 Cl- = LaCl++
-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+001 3.6641e-002 -1.7234e+003 -3.2578e+001 -2.6914e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 La+++ = LaCl2+
-llnl_gamma 4.0
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+002 7.9274e-002 -5.5883e+003 -8.9400e+001 -8.7264e+001
# -Range: 0-300
3.0000 Cl- + 1.0000 La+++ = LaCl3
-llnl_gamma 3.0
log_k -0.3936
-delta_H 12.5478 kJ/mol # Calculated enthalpy of reaction LaCl3
# Enthalpy of formation: -286.4 kcal/mol
-analytic 4.2210e+002 1.2792e-001 -1.1444e+004 -1.7062e+002 -1.7869e+002
# -Range: 0-300
4.0000 Cl- + 1.0000 La+++ = LaCl4-
-llnl_gamma 4.0
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+002 1.3053e-001 -1.3344e+004 -1.9518e+002 -2.0836e+002
# -Range: 0-300
1.0000 La+++ + 1.0000 F- = LaF++
-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+001 4.0513e-002 -2.8042e+003 -3.8617e+001 -4.3785e+001
# -Range: 0-300
2.0000 F- + 1.0000 La+++ = LaF2+
-llnl_gamma 4.0
log_k +6.6850
-delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction LaF2+
# Enthalpy of formation: -325.2 kcal/mol
-analytic 2.3923e+002 8.3559e-002 -6.0536e+003 -9.5821e+001 -9.4531e+001
# -Range: 0-300
3.0000 F- + 1.0000 La+++ = LaF3
-llnl_gamma 3.0
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+002 1.3460e-001 -1.1334e+004 -1.7967e+002 -1.7699e+002
# -Range: 0-300
4.0000 F- + 1.0000 La+++ = LaF4-
-llnl_gamma 4.0
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+002 1.3563e-001 -1.1903e+004 -2.0108e+002 -1.8588e+002
# -Range: 0-300
1.0000 La+++ + 1.0000 HPO4-- + 1.0000 H+ = LaH2PO4++
-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 1.0530e+002 6.2177e-002 4.0686e+002 -4.6642e+001 6.3174e+000
# -Range: 0-300
1.0000 La+++ + 1.0000 HCO3- = LaHCO3++
-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+001 3.0405e-002 5.1281e+001 -1.7478e+001 7.8933e-001
# -Range: 0-300
1.0000 La+++ + 1.0000 HPO4-- = LaHPO4+
-llnl_gamma 4.0
log_k +5.1000
-delta_H 0 # Not possible to calculate enthalpy of reaction LaHPO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 NO3- + 1.0000 La+++ = LaNO3++
-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+001 2.4247e-002 2.1998e+003 -1.1371e+001 3.4322e+001
# -Range: 0-300
1.0000 La+++ + 1.0000 H2O = LaO+ +2.0000 H+
-llnl_gamma 4.0
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+002 2.9275e-002 -1.4385e+004 -6.6906e+001 -2.2452e+002
# -Range: 0-300
2.0000 H2O + 1.0000 La+++ = LaO2- +4.0000 H+
-llnl_gamma 4.0
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+002 1.2355e-002 -2.2472e+004 -6.1779e+001 -3.5070e+002
# -Range: 0-300
2.0000 H2O + 1.0000 La+++ = LaO2H +3.0000 H+
-llnl_gamma 3.0
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+002 4.4808e-002 -2.4083e+004 -1.2088e+002 -3.7589e+002
# -Range: 0-300
1.0000 La+++ + 1.0000 H2O = LaOH++ +1.0000 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+001 1.1104e-002 -6.3920e+003 -2.2646e+001 -9.9760e+001
# -Range: 0-300
1.0000 La+++ + 1.0000 HPO4-- = LaPO4 +1.0000 H+
-llnl_gamma 3.0
log_k -1.3618
-delta_H 0 # Not possible to calculate enthalpy of reaction LaPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 La+++ = LaSO4+
-llnl_gamma 4.0
log_k +3.6430
-delta_H 18.4096 kJ/mol # Calculated enthalpy of reaction LaSO4+
# Enthalpy of formation: -382.6 kcal/mol
-analytic 3.0657e+002 8.4093e-002 -9.1074e+003 -1.2019e+002 -1.4220e+002
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Li+ = Li(CH3COO)2- +2.0000 H+
-llnl_gamma 4.0
log_k -9.2674
-delta_H -24.7609 kJ/mol # Calculated enthalpy of reaction Li(CH3COO)2-
# Enthalpy of formation: -304.67 kcal/mol
-analytic -3.3702e+002 -6.0849e-002 1.1952e+004 1.2359e+002 1.8659e+002
# -Range: 0-300
1.0000 Li+ + 1.0000 CH3COOH = LiCH3COO +1.0000 H+
-llnl_gamma 3.0
log_k -4.4589
-delta_H -6.64419 kJ/mol # Calculated enthalpy of reaction LiCH3COO
# Enthalpy of formation: -184.24 kcal/mol
-analytic -3.8391e+000 -7.3938e-004 -1.0829e+003 3.4134e-001 2.1318e+005
# -Range: 0-300
1.0000 Li+ + 1.0000 Cl- = LiCl
-llnl_gamma 3.0
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+002 4.1941e-002 -3.2439e+003 -5.1708e+001 -5.0655e+001
# -Range: 0-300
1.0000 Li+ + 1.0000 H2O = LiOH +1.0000 H+
-llnl_gamma 3.0
log_k -13.64
-delta_H 0 # Not possible to calculate enthalpy of reaction LiOH
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Li+ = LiSO4-
-llnl_gamma 4.0
log_k +0.7700
-delta_H 0 # Not possible to calculate enthalpy of reaction LiSO4-
# Enthalpy of formation: -0 kcal/mol
2.0000 CH3COOH + 1.0000 Lu+++ = Lu(CH3COO)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -4.9625
-delta_H -38.5346 kJ/mol # Calculated enthalpy of reaction Lu(CH3COO)2+
# Enthalpy of formation: -409.31 kcal/mol
-analytic -2.7341e+001 2.5097e-003 -1.4157e+003 7.5026e+000 6.9682e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Lu+++ = Lu(CH3COO)3 +3.0000 H+
-llnl_gamma 3.0
log_k -8.3489
-delta_H -64.5173 kJ/mol # Calculated enthalpy of reaction Lu(CH3COO)3
# Enthalpy of formation: -531.62 kcal/mol
-analytic -5.0225e+001 3.3508e-003 -6.2901e+002 1.3262e+001 9.0737e+005
# -Range: 0-300
2.0000 HCO3- + 1.0000 Lu+++ = Lu(CO3)2- +2.0000 H+
-llnl_gamma 4.0
log_k -6.8576
-delta_H 0 # Not possible to calculate enthalpy of reaction Lu(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Lu+++ = Lu(HPO4)2-
-llnl_gamma 4.0
log_k +10.3000
-delta_H 0 # Not possible to calculate enthalpy of reaction Lu(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Lu+++ = Lu(PO4)2--- +2.0000 H+
-llnl_gamma 4.0
log_k -2.7437
-delta_H 0 # Not possible to calculate enthalpy of reaction Lu(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 Lu+++ = Lu(SO4)2-
-llnl_gamma 4.0
log_k +5.3000
-delta_H 0 # Not possible to calculate enthalpy of reaction Lu(SO4)2-
# Enthalpy of formation: -0 kcal/mol
1.0000 Lu+++ + 1.0000 CH3COOH = LuCH3COO++ +1.0000 H+
-llnl_gamma 4.5
log_k -2.1037
-delta_H -18.9703 kJ/mol # Calculated enthalpy of reaction LuCH3COO+2
# Enthalpy of formation: -288.534 kcal/mol
-analytic -6.5982e+000 2.4512e-003 -1.2666e+003 1.4226e+000 4.0045e+005
# -Range: 0-300
1.0000 Lu+++ + 1.0000 HCO3- = LuCO3+ +1.0000 H+
-llnl_gamma 4.0
log_k -2.0392
-delta_H 78.2324 kJ/mol # Calculated enthalpy of reaction LuCO3+
# Enthalpy of formation: -314.1 kcal/mol
-analytic 2.3840e+002 5.4774e-002 -6.8317e+003 -9.4500e+001 -1.0667e+002
# -Range: 0-300
1.0000 Lu+++ + 1.0000 Cl- = LuCl++
-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+001 3.6521e-002 -1.2938e+003 -2.9397e+001 -2.0209e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Lu+++ = LuCl2+
-llnl_gamma 4.0
log_k -0.6289
-delta_H 15.7569 kJ/mol # Calculated enthalpy of reaction LuCl2+
# Enthalpy of formation: -244 kcal/mol
-analytic 1.8608e+002 7.7283e-002 -4.2349e+003 -7.9007e+001 -6.6137e+001
# -Range: 0-300
3.0000 Cl- + 1.0000 Lu+++ = LuCl3
-llnl_gamma 3.0
log_k -1.1999
-delta_H 3.56895 kJ/mol # Calculated enthalpy of reaction LuCl3
# Enthalpy of formation: -286.846 kcal/mol
-analytic 3.7060e+002 1.2564e-001 -8.9374e+003 -1.5325e+002 -1.3957e+002
# -Range: 0-300
4.0000 Cl- + 1.0000 Lu+++ = LuCl4-
-llnl_gamma 4.0
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+002 1.2200e-001 -8.6965e+003 -1.6071e+002 -1.3582e+002
# -Range: 0-300
1.0000 Lu+++ + 1.0000 F- = LuF++
-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+001 4.0963e-002 -2.4140e+003 -3.6203e+001 -3.7694e+001
# -Range: 0-300
2.0000 F- + 1.0000 Lu+++ = LuF2+
-llnl_gamma 4.0
log_k +8.4442
-delta_H 14.2256 kJ/mol # Calculated enthalpy of reaction LuF2+
# Enthalpy of formation: -324.8 kcal/mol
-analytic 2.1440e+002 8.2559e-002 -4.7009e+003 -8.6790e+001 -7.3417e+001
# -Range: 0-300
3.0000 F- + 1.0000 Lu+++ = LuF3
-llnl_gamma 3.0
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+002 1.3233e-001 -8.6775e+003 -1.6232e+002 -1.3552e+002
# -Range: 0-300
4.0000 F- + 1.0000 Lu+++ = LuF4-
-llnl_gamma 4.0
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+002 1.3070e-001 -7.4276e+003 -1.7220e+002 -1.1603e+002
# -Range: 0-300
1.0000 Lu+++ + 1.0000 HPO4-- + 1.0000 H+ = LuH2PO4++
-llnl_gamma 4.5
log_k +9.5950
-delta_H -23.786 kJ/mol # Calculated enthalpy of reaction LuH2PO4+2
# Enthalpy of formation: -482.4 kcal/mol
-analytic 9.4223e+001 6.1797e-002 1.1102e+003 -4.3131e+001 1.7296e+001
# -Range: 0-300
1.0000 Lu+++ + 1.0000 HCO3- = LuHCO3++
-llnl_gamma 4.5
log_k +1.9190
-delta_H 1.66523 kJ/mol # Calculated enthalpy of reaction LuHCO3+2
# Enthalpy of formation: -332.4 kcal/mol
-analytic 2.3187e+001 2.9604e-002 8.1268e+002 -1.3252e+001 1.2674e+001
# -Range: 0-300
1.0000 Lu+++ + 1.0000 HPO4-- = LuHPO4+
-llnl_gamma 4.0
log_k +6.0000
-delta_H 0 # Not possible to calculate enthalpy of reaction LuHPO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 NO3- + 1.0000 Lu+++ = LuNO3++
-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+000 2.3703e-002 3.2605e+003 -7.7334e+000 5.0876e+001
# -Range: 0-300
1.0000 Lu+++ + 1.0000 H2O = LuO+ +2.0000 H+
-llnl_gamma 4.0
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+002 2.6603e-002 -1.2215e+004 -5.7276e+001 -1.9065e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Lu+++ = LuO2- +4.0000 H+
-llnl_gamma 4.0
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+002 5.0221e-003 -1.6847e+004 -3.7244e+001 -2.6292e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Lu+++ = LuO2H +3.0000 H+
-llnl_gamma 3.0
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+002 4.2338e-002 -2.0443e+004 -1.0330e+002 -3.1907e+002
# -Range: 0-300
1.0000 Lu+++ + 1.0000 H2O = LuOH++ +1.0000 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+001 9.2421e-003 -4.9953e+003 -1.4769e+001 -7.7960e+001
# -Range: 0-300
1.0000 Lu+++ + 1.0000 HPO4-- = LuPO4 +1.0000 H+
-llnl_gamma 3.0
log_k +0.6782
-delta_H 0 # Not possible to calculate enthalpy of reaction LuPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Lu+++ = LuSO4+
-llnl_gamma 4.0
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+002 8.5238e-002 -8.8411e+003 -1.1850e+002 -1.3805e+002
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Mg++ = Mg(CH3COO)2 +2.0000 H+
-llnl_gamma 3.0
log_k -7.473
-delta_H -23.8195 kJ/mol # Calculated enthalpy of reaction Mg(CH3COO)2
# Enthalpy of formation: -349.26 kcal/mol
-analytic -4.3954e+001 -3.1842e-004 -1.2033e+003 1.3556e+001 6.3058e+005
# -Range: 0-300
4.0000 Mg++ + 4.0000 H2O = Mg4(OH)4++++ +4.0000 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
1.0000 Mg++ + 1.0000 H2O + 1.0000 B(OH)3 = MgB(OH)4+ +1.0000 H+
-llnl_gamma 4.0
log_k -7.3467
-delta_H 0 # Not possible to calculate enthalpy of reaction MgB(OH)4+
# Enthalpy of formation: -0 kcal/mol
1.0000 Mg++ + 1.0000 CH3COOH = MgCH3COO+ +1.0000 H+
-llnl_gamma 4.0
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+001 -1.6071e-003 -4.2228e+002 7.7009e+000 2.5981e+005
# -Range: 0-300
1.0000 Mg++ + 1.0000 HCO3- = MgCO3 +1.0000 H+
-llnl_gamma 3.0
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+002 5.5538e-002 -8.3947e+003 -9.3104e+001 -1.3106e+002
# -Range: 0-300
1.0000 Mg++ + 1.0000 Cl- = MgCl+
-llnl_gamma 4.0
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+001 3.2858e-002 1.1878e+002 -2.1688e+001 1.8403e+000
# -Range: 0-300
1.0000 Mg++ + 1.0000 F- = MgF+
-llnl_gamma 4.0
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+001 3.5184e-002 -7.3241e+002 -2.8678e+001 -1.1448e+001
# -Range: 0-300
1.0000 Mg++ + 1.0000 HPO4-- + 1.0000 H+ = MgH2PO4+
-llnl_gamma 4.0
log_k +1.6600
-delta_H 0 # Not possible to calculate enthalpy of reaction MgH2PO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 Mg++ + 1.0000 HCO3- = MgHCO3+
-llnl_gamma 4.0
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+001 3.0076e-002 9.8068e+001 -1.8869e+001 1.5187e+000
# -Range: 0-300
1.0000 Mg++ + 1.0000 HPO4-- = MgHPO4
-llnl_gamma 3.0
log_k +2.9100
-delta_H 0 # Not possible to calculate enthalpy of reaction MgHPO4
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Mg++ = MgP2O7-- +1.0000 H2O
-llnl_gamma 4.0
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+002 1.2530e-001 -1.5175e+004 -1.8724e+002 -2.3693e+002
# -Range: 0-300
1.0000 Mg++ + 1.0000 HPO4-- = MgPO4- +1.0000 H+
-llnl_gamma 4.0
log_k -5.7328
-delta_H 0 # Not possible to calculate enthalpy of reaction MgPO4-
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Mg++ = MgSO4
-llnl_gamma 3.0
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+002 6.4715e-002 -4.7314e+003 -7.3123e+001 -8.0408e+001
# -Range: 0-200
2.0000 CH3COOH + 1.0000 Mn++ = Mn(CH3COO)2 +2.0000 H+
-llnl_gamma 3.0
log_k -7.4547
-delta_H -11.4893 kJ/mol # Calculated enthalpy of reaction Mn(CH3COO)2
# Enthalpy of formation: -287.67 kcal/mol
-analytic -9.0558e-001 5.9656e-003 -4.3531e+003 -1.1063e+000 8.0323e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Mn++ = Mn(CH3COO)3- +3.0000 H+
-llnl_gamma 4.0
log_k -11.8747
-delta_H -30.3591 kJ/mol # Calculated enthalpy of reaction Mn(CH3COO)3-
# Enthalpy of formation: -408.28 kcal/mol
-analytic -3.8531e+000 -9.9140e-003 -1.2065e+004 5.1424e+000 2.0175e+006
# -Range: 0-300
2.0000 NO3- + 1.0000 Mn++ = Mn(NO3)2
-llnl_gamma 3.0
log_k +0.6000
-delta_H 0 # Not possible to calculate enthalpy of reaction Mn(NO3)2
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 Mn++ = Mn(OH)2 +2.0000 H+
-llnl_gamma 3.0
log_k -22.2
-delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)2
# Enthalpy of formation: -0 kcal/mol
3.0000 H2O + 1.0000 Mn++ = Mn(OH)3- +3.0000 H+
-llnl_gamma 4.0
log_k -34.2278
-delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)3-
# Enthalpy of formation: -0 kcal/mol
4.0000 H2O + 1.0000 Mn++ = Mn(OH)4-- +4.0000 H+
-llnl_gamma 4.0
log_k -48.3
-delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)4-2
# Enthalpy of formation: -0 kcal/mol
3.0000 H2O + 2.0000 Mn++ = Mn2(OH)3+ +3.0000 H+
-llnl_gamma 4.0
log_k -23.9
-delta_H 0 # Not possible to calculate enthalpy of reaction Mn2(OH)3+
# Enthalpy of formation: -0 kcal/mol
2.0000 Mn++ + 1.0000 H2O = Mn2OH+++ +1.0000 H+
-llnl_gamma 5.0
log_k -10.56
-delta_H 0 # Not possible to calculate enthalpy of reaction Mn2OH+3
# Enthalpy of formation: -0 kcal/mol
1.0000 Mn++ + 1.0000 CH3COOH = MnCH3COO+ +1.0000 H+
-llnl_gamma 4.0
log_k -3.5404
-delta_H -3.07942 kJ/mol # Calculated enthalpy of reaction MnCH3COO+
# Enthalpy of formation: -169.56 kcal/mol
-analytic -1.4061e+001 1.8149e-003 -8.6438e+002 4.0354e+000 2.5831e+005
# -Range: 0-300
1.0000 Mn++ + 1.0000 HCO3- = MnCO3 +1.0000 H+
-llnl_gamma 3.0
log_k -5.8088
-delta_H 0 # Not possible to calculate enthalpy of reaction MnCO3
# Enthalpy of formation: -0 kcal/mol
1.0000 Mn++ + 1.0000 Cl- = MnCl+
-llnl_gamma 4.0
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+001 4.0361e-002 -2.1786e+003 -3.6966e+001 -3.4022e+001
# -Range: 0-300
3.0000 Cl- + 1.0000 Mn++ = MnCl3-
-llnl_gamma 4.0
log_k -0.3324
-delta_H 0 # Not possible to calculate enthalpy of reaction MnCl3-
# Enthalpy of formation: -0 kcal/mol
1.0000 Mn++ + 1.0000 F- = MnF+
-llnl_gamma 4.0
log_k +1.4300
-delta_H 0 # Not possible to calculate enthalpy of reaction MnF+
# Enthalpy of formation: -0 kcal/mol
1.0000 Mn++ + 1.0000 HPO4-- + 1.0000 H+ = MnH2PO4+
-llnl_gamma 4.0
log_k +8.5554
-delta_H 0 # Not possible to calculate enthalpy of reaction MnH2PO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 Mn++ + 1.0000 HCO3- = MnHCO3+
-llnl_gamma 4.0
log_k +0.8816
-delta_H 0 # Not possible to calculate enthalpy of reaction MnHCO3+
# Enthalpy of formation: -0 kcal/mol
1.0000 Mn++ + 1.0000 HPO4-- = MnHPO4
-llnl_gamma 3.0
log_k +3.5800
-delta_H 0 # Not possible to calculate enthalpy of reaction MnHPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 NO3- + 1.0000 Mn++ = MnNO3+
-llnl_gamma 4.0
log_k +0.2000
-delta_H 0 # Not possible to calculate enthalpy of reaction MnNO3+
# Enthalpy of formation: -0 kcal/mol
1.5000 H2O + 1.2500 O2 + 1.0000 Mn++ = MnO4- +3.0000 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+001 -1.7618e-002 -6.7332e+003 -3.3193e+000 -2.4924e+005
# -Range: 0-300
1.0000 Mn++ + 1.0000 H2O = MnOH+ +1.0000 H+
-llnl_gamma 4.0
log_k -10.59
-delta_H 0 # Not possible to calculate enthalpy of reaction MnOH+
# Enthalpy of formation: -0 kcal/mol
1.0000 Mn++ + 1.0000 HPO4-- = MnPO4- +1.0000 H+
-llnl_gamma 4.0
log_k -5.1318
-delta_H 0 # Not possible to calculate enthalpy of reaction MnPO4-
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Mn++ = MnSO4
-llnl_gamma 3.0
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+002 8.5294e-002 -8.1366e+003 -1.1729e+002 -1.2705e+002
# -Range: 0-300
1.0000 SeO4-- + 1.0000 Mn++ = MnSeO4
-llnl_gamma 3.0
log_k +2.4300
-delta_H 0 # Not possible to calculate enthalpy of reaction MnSeO4
# Enthalpy of formation: -0 kcal/mol
2.0000 CH3COOH + 1.0000 NH3 = NH4(CH3COO)2- +1.0000 H+
-llnl_gamma 4.0
log_k -0.1928
-delta_H -56.735 kJ/mol # Calculated enthalpy of reaction NH4(CH3COO)2-
# Enthalpy of formation: -265.2 kcal/mol
-analytic 3.7137e+001 -1.2242e-002 -8.4764e+003 -8.4308e+000 1.3883e+006
# -Range: 0-300
1.0000 NH3 + 1.0000 H+ = NH4+
-llnl_gamma 2.5
log_k +9.2410
-delta_H -51.9234 kJ/mol # Calculated enthalpy of reaction NH4+
# Enthalpy of formation: -31.85 kcal/mol
-analytic -1.4527e+001 -5.0518e-003 3.0447e+003 6.0865e+000 4.7515e+001
# -Range: 0-300
1.0000 NH3 + 1.0000 CH3COOH = NH4CH3COO
-llnl_gamma 3.0
log_k +4.6964
-delta_H -48.911 kJ/mol # Calculated enthalpy of reaction NH4CH3COO
# Enthalpy of formation: -147.23 kcal/mol
-analytic 1.4104e+001 -4.3664e-003 -1.0746e+003 -3.6999e+000 4.1428e+005
# -Range: 0-300
1.0000 SO4-- + 1.0000 NH3 + 1.0000 H+ = NH4SO4-
-llnl_gamma 4.0
log_k +0.9400
-delta_H 0 # Not possible to calculate enthalpy of reaction NH4SO4-
# Enthalpy of formation: -0 kcal/mol
1.0000 Sb(OH)3 + 1.0000 NH3 = NH4SbO2 +1.0000 H2O
-llnl_gamma 3.0
log_k -2.5797
-delta_H 0 # Not possible to calculate enthalpy of reaction NH4SbO2
# Enthalpy of formation: -0 kcal/mol
2.0000 CH3COOH + 1.0000 Na+ = Na(CH3COO)2- +2.0000 H+
-llnl_gamma 4.0
log_k -9.9989
-delta_H -11.5771 kJ/mol # Calculated enthalpy of reaction Na(CH3COO)2-
# Enthalpy of formation: -292.4 kcal/mol
-analytic -2.9232e+002 -5.5708e-002 9.6601e+003 1.0772e+002 1.5082e+002
# -Range: 0-300
1.0000 O_phthalate-2 + 1.0000 Na+ = Na(O_phthalate)-
-llnl_gamma 4.0
log_k +0.7000
-delta_H 0 # Not possible to calculate enthalpy of reaction Na(O_phthalate)-
# Enthalpy of formation: -0 kcal/mol
2.0000 Na+ + 2.0000 HPO4-- = Na2P2O7-- +1.0000 H2O
-llnl_gamma 4.0
log_k +0.4437
-delta_H 0 # Not possible to calculate enthalpy of reaction Na2P2O7-2
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 Na+ + 1.0000 Al+++ = NaAlO2 +4.0000 H+
-llnl_gamma 3.0
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+002 3.4921e-002 -1.2808e+004 -4.6046e+001 -1.9990e+002
# -Range: 0-300
1.0000 Na+ + 1.0000 H2O + 1.0000 B(OH)3 = NaB(OH)4 +1.0000 H+
-llnl_gamma 3.0
log_k -8.974
-delta_H 0 # Not possible to calculate enthalpy of reaction NaB(OH)4
# Enthalpy of formation: -0 kcal/mol
1.0000 Na+ + 1.0000 Br- = NaBr
-llnl_gamma 3.0
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+002 3.7271e-002 -3.4061e+003 -4.8386e+001 -5.3184e+001
# -Range: 0-300
1.0000 Na+ + 1.0000 CH3COOH = NaCH3COO +1.0000 H+
-llnl_gamma 3.0
log_k -4.8606
-delta_H -0.029288 kJ/mol # Calculated enthalpy of reaction NaCH3COO
# Enthalpy of formation: -173.54 kcal/mol
-analytic 6.4833e+000 -1.8739e-003 -2.0902e+003 -2.6121e+000 2.3990e+005
# -Range: 0-300
1.0000 Na+ + 1.0000 HCO3- = NaCO3- +1.0000 H+
-llnl_gamma 4.0
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+002 5.3122e-004 -7.6768e+003 -6.2078e+001 -1.1984e+002
# -Range: 0-300
1.0000 Na+ + 1.0000 Cl- = NaCl
-llnl_gamma 3.0
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+002 3.6386e-002 -3.0847e+003 -4.6571e+001 -4.8167e+001
# -Range: 0-300
1.0000 Na+ + 1.0000 F- = NaF
-llnl_gamma 3.0
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+002 3.8619e-002 -3.5436e+003 -5.0787e+001 -5.5332e+001
# -Range: 0-300
1.0000 Na+ + 1.0000 HCO3- = NaHCO3
-llnl_gamma 3.0
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+001 -2.9866e-002 2.7947e+003 3.6515e+001 4.7489e+001
# -Range: 0-200
2.0000 HPO4-- + 1.0000 Na+ + 1.0000 H+ = NaHP2O7-- +1.0000 H2O
-llnl_gamma 4.0
log_k +6.8498
-delta_H 0 # Not possible to calculate enthalpy of reaction NaHP2O7-2
# Enthalpy of formation: -0 kcal/mol
1.0000 Na+ + 1.0000 HPO4-- = NaHPO4-
-llnl_gamma 4.0
log_k +0.9200
-delta_H 0 # Not possible to calculate enthalpy of reaction NaHPO4-
# Enthalpy of formation: -0 kcal/mol
1.0000 SiO2 + 1.0000 Na+ + 1.0000 H2O = NaHSiO3 +1.0000 H+
-llnl_gamma 3.0
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+001 -9.0411e-003 -6.6605e+003 -1.0447e+001 5.8415e+005
# -Range: 0-300
1.0000 Na+ + 1.0000 I- = NaI
-llnl_gamma 3.0
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+001 3.2917e-002 -2.7576e+003 -4.0748e+001 -4.3058e+001
# -Range: 0-300
1.0000 Na+ + 1.0000 H2O = NaOH +1.0000 H+
-llnl_gamma 3.0
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+001 2.3555e-002 -5.4770e+003 -3.6678e+001 -8.5489e+001
# -Range: 0-300
2.0000 HPO4-- + 1.0000 Na+ = NaP2O7--- +1.0000 H2O
-llnl_gamma 4.0
log_k -1.4563
-delta_H 0 # Not possible to calculate enthalpy of reaction NaP2O7-3
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Na+ = NaSO4-
-llnl_gamma 4.0
log_k +0.8200
-delta_H 0 # Not possible to calculate enthalpy of reaction NaSO4-
# Enthalpy of formation: -0 kcal/mol
2.0000 CH3COOH + 1.0000 Nd+++ = Nd(CH3COO)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -4.9771
-delta_H -22.6354 kJ/mol # Calculated enthalpy of reaction Nd(CH3COO)2+
# Enthalpy of formation: -404.11 kcal/mol
-analytic -2.2128e+001 1.0975e-003 -7.1543e+002 5.8799e+000 4.1748e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Nd+++ = Nd(CH3COO)3 +3.0000 H+
-llnl_gamma 3.0
log_k -8.2976
-delta_H -38.8694 kJ/mol # Calculated enthalpy of reaction Nd(CH3COO)3
# Enthalpy of formation: -524.09 kcal/mol
-analytic -4.5726e+001 -2.6143e-003 5.9389e+002 1.2679e+001 4.3320e+005
# -Range: 0-300
2.0000 HCO3- + 1.0000 Nd+++ = Nd(CO3)2- +2.0000 H+
-llnl_gamma 4.0
log_k -8.0576
-delta_H 0 # Not possible to calculate enthalpy of reaction Nd(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Nd+++ = Nd(HPO4)2-
-llnl_gamma 4.0
log_k +9.1000
-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
2.0000 HPO4-- + 1.0000 Nd+++ = Nd(PO4)2--- +2.0000 H+
-llnl_gamma 4.0
log_k -5.1437
-delta_H 0 # Not possible to calculate enthalpy of reaction Nd(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 Nd+++ = Nd(SO4)2-
-llnl_gamma 4.0
log_k -255.7478
-delta_H 0 # Not possible to calculate enthalpy of reaction Nd(SO4)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 Nd+++ + 2.0000 H2O = Nd2(OH)2++++ +2.0000 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
1.0000 Nd+++ + 1.0000 CH3COOH = NdCH3COO++ +1.0000 H+
-llnl_gamma 4.5
log_k -2.0891
-delta_H -12.0081 kJ/mol # Calculated enthalpy of reaction NdCH3COO+2
# Enthalpy of formation: -285.47 kcal/mol
-analytic -1.6006e+001 4.1948e-004 -3.6469e+002 4.9280e+000 2.5187e+005
# -Range: 0-300
1.0000 Nd+++ + 1.0000 HCO3- = NdCO3+ +1.0000 H+
-llnl_gamma 4.0
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+002 5.3454e-002 -7.0513e+003 -9.2500e+001 -1.1010e+002
# -Range: 0-300
1.0000 Nd+++ + 1.0000 Cl- = NdCl++
-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+001 3.9331e-002 -2.4200e+003 -3.9550e+001 -3.7790e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Nd+++ = NdCl2+
-llnl_gamma 4.0
log_k +0.0308
-delta_H 20.3593 kJ/mol # Calculated enthalpy of reaction NdCl2+
# Enthalpy of formation: -241.5 kcal/mol
-analytic 2.5840e+002 8.4118e-002 -7.2056e+003 -1.0477e+002 -1.1251e+002
# -Range: 0-300
3.0000 Cl- + 1.0000 Nd+++ = NdCl3
-llnl_gamma 3.0
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+002 1.3485e-001 -1.4309e+004 -1.9645e+002 -2.2343e+002
# -Range: 0-300
4.0000 Cl- + 1.0000 Nd+++ = NdCl4-
-llnl_gamma 4.0
log_k -0.7447
-delta_H -3.21331 kJ/mol # Calculated enthalpy of reaction NdCl4-
# Enthalpy of formation: -327 kcal/mol
-analytic 6.0548e+002 1.4227e-001 -1.8055e+004 -2.3765e+002 -2.8191e+002
# -Range: 0-300
1.0000 Nd+++ + 1.0000 F- = NdF++
-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+002 4.3014e-002 -3.2461e+003 -4.5326e+001 -5.0687e+001
# -Range: 0-300
2.0000 F- + 1.0000 Nd+++ = NdF2+
-llnl_gamma 4.0
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+002 8.7910e-002 -7.2424e+003 -1.1046e+002 -1.1309e+002
# -Range: 0-300
3.0000 F- + 1.0000 Nd+++ = NdF3
-llnl_gamma 3.0
log_k +9.8809
-delta_H -8.1588 kJ/mol # Calculated enthalpy of reaction NdF3
# Enthalpy of formation: -408.9 kcal/mol
-analytic 5.2220e+002 1.4154e-001 -1.3697e+004 -2.0551e+002 -2.1388e+002
# -Range: 0-300
4.0000 F- + 1.0000 Nd+++ = NdF4-
-llnl_gamma 4.0
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+002 1.4620e-001 -1.5869e+004 -2.4175e+002 -2.4780e+002
# -Range: 0-300
1.0000 Nd+++ + 1.0000 HPO4-- + 1.0000 H+ = NdH2PO4++
-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 1.2450e+002 6.4953e-002 -4.0524e+002 -5.3728e+001 -6.3603e+000
# -Range: 0-300
1.0000 Nd+++ + 1.0000 HCO3- = NdHCO3++
-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 5.5530e+001 3.3254e-002 -7.3859e+002 -2.4690e+001 -1.1542e+001
# -Range: 0-300
1.0000 Nd+++ + 1.0000 HPO4-- = NdHPO4+
-llnl_gamma 4.0
log_k +5.4000
-delta_H 0 # Not possible to calculate enthalpy of reaction NdHPO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 Nd+++ + 1.0000 NO3- = NdNO3++
-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 3.3850e+001 2.7112e-002 1.4404e+003 -1.8570e+001 2.2466e+001
# -Range: 0-300
1.0000 Nd+++ + 1.0000 H2O = NdO+ +2.0000 H+
-llnl_gamma 4.0
log_k -17.0701
-delta_H 116.386 kJ/mol # Calculated enthalpy of reaction NdO+
# Enthalpy of formation: -207 kcal/mol
-analytic 1.8961e+002 3.0563e-002 -1.4153e+004 -6.8024e+001 -2.2089e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Nd+++ = NdO2- +4.0000 H+
-llnl_gamma 4.0
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+002 1.4784e-002 -2.1838e+004 -6.6399e+001 -3.4082e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Nd+++ = NdO2H +3.0000 H+
-llnl_gamma 3.0
log_k -26.3702
-delta_H 230.681 kJ/mol # Calculated enthalpy of reaction NdO2H
# Enthalpy of formation: -248 kcal/mol
-analytic 3.4617e+002 4.5955e-002 -2.3960e+004 -1.2361e+002 -3.7398e+002
# -Range: 0-300
1.0000 Nd+++ + 1.0000 H2O = NdOH++ +1.0000 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+001 1.2182e-002 -6.2797e+003 -2.3300e+001 -9.8008e+001
# -Range: 0-300
1.0000 Nd+++ + 1.0000 HPO4-- = NdPO4 +1.0000 H+
-llnl_gamma 3.0
log_k -0.5218
-delta_H 0 # Not possible to calculate enthalpy of reaction NdPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Nd+++ = NdSO4+
-llnl_gamma 4.0
log_k +3.6430
-delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction NdSO4+
# Enthalpy of formation: -379.1 kcal/mol
-analytic 3.0267e+002 8.5362e-002 -8.9211e+003 -1.1902e+002 -1.3929e+002
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Ni++ = Ni(CH3COO)2 +2.0000 H+
-llnl_gamma 3.0
log_k -7.1908
-delta_H -25.8571 kJ/mol # Calculated enthalpy of reaction Ni(CH3COO)2
# Enthalpy of formation: -251.28 kcal/mol
-analytic -2.9660e+001 1.0643e-003 -1.0060e+003 7.9358e+000 5.2562e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Ni++ = Ni(CH3COO)3- +3.0000 H+
-llnl_gamma 4.0
log_k -11.3543
-delta_H -53.6807 kJ/mol # Calculated enthalpy of reaction Ni(CH3COO)3-
# Enthalpy of formation: -374.03 kcal/mol
-analytic 5.0850e+001 -8.2435e-003 -1.3049e+004 -1.5410e+001 1.9704e+006
# -Range: 0-300
2.0000 NH3 + 1.0000 Ni++ = Ni(NH3)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+002 5.2896e-003 -2.5967e+003 -3.5485e+001 -4.0548e+001
# -Range: 0-300
6.0000 NH3 + 1.0000 Ni++ = Ni(NH3)6++
-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+002 -1.3467e-002 -5.2321e+003 -6.6168e+001 -8.1699e+001
# -Range: 0-300
2.0000 NO3- + 1.0000 Ni++ = Ni(NO3)2
-llnl_gamma 3.0
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+001 -1.0101e-002 1.3496e+003 1.6663e+001 2.2933e+001
# -Range: 0-200
2.0000 H2O + 1.0000 Ni++ = Ni(OH)2 +2.0000 H+
-llnl_gamma 3.0
log_k -19.9902
-delta_H 0 # Not possible to calculate enthalpy of reaction Ni(OH)2
# Enthalpy of formation: -0 kcal/mol
3.0000 H2O + 1.0000 Ni++ = Ni(OH)3- +3.0000 H+
-llnl_gamma 4.0
log_k -30.9852
-delta_H 0 # Not possible to calculate enthalpy of reaction Ni(OH)3-
# Enthalpy of formation: -0 kcal/mol
2.0000 Ni++ + 1.0000 H2O = Ni2OH+++ +1.0000 H+
-llnl_gamma 5.0
log_k -10.7
-delta_H 0 # Not possible to calculate enthalpy of reaction Ni2OH+3
# Enthalpy of formation: -0 kcal/mol
4.0000 Ni++ + 4.0000 H2O = Ni4(OH)4++++ +4.0000 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
1.0000 Ni++ + 1.0000 Br- = NiBr+
-llnl_gamma 4.0
log_k -0.37
-delta_H 0 # Not possible to calculate enthalpy of reaction NiBr+
# Enthalpy of formation: -0 kcal/mol
1.0000 Ni++ + 1.0000 CH3COOH = NiCH3COO+ +1.0000 H+
-llnl_gamma 4.0
log_k -3.3278
-delta_H -10.2508 kJ/mol # Calculated enthalpy of reaction NiCH3COO+
# Enthalpy of formation: -131.45 kcal/mol
-analytic -3.3110e+000 1.6895e-003 -1.0556e+003 2.7168e-002 2.6350e+005
# -Range: 0-300
1.0000 Ni++ + 1.0000 Cl- = NiCl+
-llnl_gamma 4.0
log_k -0.9962
-delta_H 5.99567 kJ/mol # Calculated enthalpy of reaction NiCl+
# Enthalpy of formation: -51.4 kcal/mol
-analytic 9.5370e+001 3.8521e-002 -2.1746e+003 -4.0629e+001 -3.3961e+001
# -Range: 0-300
2.0000 HPO4-- + 1.0000 Ni++ + 1.0000 H+ = NiHP2O7- +1.0000 H2O
-llnl_gamma 4.0
log_k +9.2680
-delta_H 0 # Not possible to calculate enthalpy of reaction NiHP2O7-
# Enthalpy of formation: -0 kcal/mol
1.0000 Ni++ + 1.0000 NO3- = NiNO3+
-llnl_gamma 4.0
log_k +0.4000
-delta_H 0 # Not possible to calculate enthalpy of reaction NiNO3+
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Ni++ = NiP2O7-- +1.0000 H2O
-llnl_gamma 4.0
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+002 1.0985e-001 -1.4310e+004 -1.8173e+002 -2.2344e+002
# -Range: 0-300
1.0000 SO4-- + 1.0000 Ni++ = NiSO4
-llnl_gamma 3.0
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+001 2.4211e-002 -1.2180e+003 -2.5130e+001 -2.0705e+001
# -Range: 0-200
1.0000 SeO4-- + 1.0000 Ni++ = NiSeO4
-llnl_gamma 3.0
log_k +2.6700
-delta_H 0 # Not possible to calculate enthalpy of reaction NiSeO4
# Enthalpy of formation: -0 kcal/mol
5.0000 HCO3- + 1.0000 Np++++ = Np(CO3)5-6 +5.0000 H+
-llnl_gamma 4.0
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+002 2.3388e-001 -1.8328e+004 -2.6334e+002 -2.8618e+002
# -Range: 0-300
2.0000 HPO4-- + 2.0000 H+ + 1.0000 Np+++ = Np(H2PO4)2+
-llnl_gamma 4.0
log_k +3.7000
-delta_H -1.55258 kJ/mol # Calculated enthalpy of reaction Np(H2PO4)2+
# Enthalpy of formation: -743.981 kcal/mol
-analytic 7.8161e+002 2.8446e-001 -1.2330e+004 -3.3194e+002 -2.1056e+002
# -Range: 25-150
3.0000 HPO4-- + 3.0000 H+ + 1.0000 Np+++ = Np(H2PO4)3
-llnl_gamma 3.0
log_k +5.6000
-delta_H -21.8575 kJ/mol # Calculated enthalpy of reaction Np(H2PO4)3
# Enthalpy of formation: -1057.65 kcal/mol
-analytic 1.5150e+003 4.4939e-001 -3.2766e+004 -6.1975e+002 -5.5934e+002
# -Range: 25-150
2.0000 HPO4-- + 1.0000 Np++++ = Np(HPO4)2
-llnl_gamma 3.0
log_k +23.7000
-delta_H -35.24 kJ/mol # Calculated enthalpy of reaction Np(HPO4)2
# Enthalpy of formation: -758.94 kcal/mol
-analytic 4.7722e+002 2.1099e-001 -4.7296e+003 -2.0229e+002 -8.0831e+001
# -Range: 25-150
3.0000 HPO4-- + 1.0000 Np++++ = Np(HPO4)3--
-llnl_gamma 4.0
log_k +33.4000
-delta_H -44.9093 kJ/mol # Calculated enthalpy of reaction Np(HPO4)3-2
# Enthalpy of formation: -1070.07 kcal/mol
-analytic -1.5951e+003 -3.6579e-001 5.1343e+004 6.3262e+002 8.7619e+002
# -Range: 25-150
4.0000 HPO4-- + 1.0000 Np++++ = Np(HPO4)4----
-llnl_gamma 4.0
log_k +43.2000
-delta_H -67.0803 kJ/mol # Calculated enthalpy of reaction Np(HPO4)4-4
# Enthalpy of formation: -1384.18 kcal/mol
-analytic 5.8359e+003 1.5194e+000 -1.6349e+005 -2.3025e+003 -2.7903e+003
# -Range: 25-150
5.0000 HPO4-- + 1.0000 Np++++ = Np(HPO4)5-6
-llnl_gamma 4.0
log_k +52.0000
-delta_H -83.5401 kJ/mol # Calculated enthalpy of reaction Np(HPO4)5-6
# Enthalpy of formation: -1696.93 kcal/mol
-analytic -1.8082e+003 -2.0018e-001 7.5155e+004 6.7400e+002 1.2824e+003
# -Range: 25-150
2.0000 H2O + 1.0000 Np++++ = Np(OH)2++ +2.0000 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+003 6.5812e-001 -9.5085e+004 -1.1356e+003 -1.6227e+003
# -Range: 25-150
3.0000 H2O + 1.0000 Np++++ = Np(OH)3+ +3.0000 H+
-llnl_gamma 4.0
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+003 -1.1810e+000 1.3545e+005 1.8850e+003 2.3117e+003
# -Range: 25-150
4.0000 H2O + 1.0000 Np++++ = Np(OH)4 +4.0000 H+
-llnl_gamma 3.0
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+003 -1.3639e+000 1.6112e+005 2.2013e+003 2.7498e+003
# -Range: 25-150
2.0000 SO4-- + 1.0000 Np++++ = Np(SO4)2
-llnl_gamma 3.0
log_k +9.9000
-delta_H 40.005 kJ/mol # Calculated enthalpy of reaction Np(SO4)2
# Enthalpy of formation: -558.126 kcal/mol
-analytic -9.0765e+002 -1.8494e-001 2.7951e+004 3.5521e+002 4.7702e+002
# -Range: 25-150
1.0000 Np++++ + 1.0000 Cl- = NpCl+++
-llnl_gamma 5.0
log_k +0.2000
-delta_H 20.3737 kJ/mol # Calculated enthalpy of reaction NpCl+3
# Enthalpy of formation: -167.951 kcal/mol
-analytic 8.3169e+002 2.6267e-001 -2.1618e+004 -3.3838e+002 -3.6898e+002
# -Range: 25-150
2.0000 Cl- + 1.0000 Np++++ = NpCl2++
-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+003 -3.8759e-001 4.2054e+004 6.2619e+002 7.1777e+002
# -Range: 25-150
1.0000 Np++++ + 1.0000 F- = NpF+++
-llnl_gamma 5.0
log_k +8.7000
-delta_H -3.43746 kJ/mol # Calculated enthalpy of reaction NpF+3
# Enthalpy of formation: -213.859 kcal/mol
-analytic 2.7613e+000 1.3498e-003 -1.6411e+003 2.9074e+000 3.4192e+005
# -Range: 25-150
2.0000 F- + 1.0000 Np++++ = NpF2++
-llnl_gamma 4.5
log_k +15.4000
-delta_H 6.03094 kJ/mol # Calculated enthalpy of reaction NpF2+2
# Enthalpy of formation: -291.746 kcal/mol
-analytic -2.6793e+002 -4.2056e-002 9.7952e+003 1.0629e+002 1.6715e+002
# -Range: 25-150
1.0000 Np+++ + 1.0000 HPO4-- + 1.0000 H+ = NpH2PO4++
-llnl_gamma 4.5
log_k +2.4000
-delta_H 6.0874 kJ/mol # Calculated enthalpy of reaction NpH2PO4+2
# Enthalpy of formation: -433.34 kcal/mol
-analytic 6.0731e+003 1.4733e+000 -1.7919e+005 -2.3880e+003 -3.0582e+003
# -Range: 25-150
1.0000 Np++++ + 1.0000 HPO4-- = NpHPO4++
-llnl_gamma 4.5
log_k +12.9000
-delta_H 7.54554 kJ/mol # Calculated enthalpy of reaction NpHPO4+2
# Enthalpy of formation: -439.899 kcal/mol
-analytic -7.2792e+003 -1.7476e+000 2.1770e+005 2.8624e+003 3.7154e+003
# -Range: 25-150
2.0000 HCO3- + 1.0000 NpO2++ = NpO2(CO3)2-- +2.0000 H+
-llnl_gamma 4.0
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+002 7.5850e-002 -9.9987e+003 -1.0576e+002 -1.5610e+002
# -Range: 0-300
2.0000 HCO3- + 1.0000 NpO2+ = NpO2(CO3)2--- +2.0000 H+
-llnl_gamma 4.0
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+002 7.3174e-002 -1.0250e+004 -1.0556e+002 -1.6002e+002
# -Range: 0-300
3.0000 HCO3- + 1.0000 NpO2+ = NpO2(CO3)3-5 +3.0000 H+
-llnl_gamma 4.0
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+002 1.2938e-001 -1.2791e+004 -1.5861e+002 -1.9970e+002
# -Range: 0-300
3.0000 HCO3- + 1.0000 NpO2++ = NpO2(CO3)3---- +3.0000 H+
-llnl_gamma 4.0
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+002 1.1163e-001 -1.0607e+004 -1.5674e+002 -1.6562e+002
# -Range: 0-300
1.0000 NpO2+ + 1.0000 HCO3- = NpO2CO3- +1.0000 H+
-llnl_gamma 4.0
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+002 2.6576e-002 -8.2036e+003 -5.3534e+001 -1.2805e+002
# -Range: 0-300
1.0000 NpO2+ + 1.0000 Cl- = NpO2Cl
-llnl_gamma 3.0
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+002 9.0437e-002 -1.5453e+004 -1.7241e+002 -2.6371e+002
# -Range: 25-150
1.0000 NpO2++ + 1.0000 Cl- = NpO2Cl+
-llnl_gamma 4.0
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+003 -2.5435e-001 3.8507e+004 4.7447e+002 6.5715e+002
# -Range: 25-150
1.0000 NpO2+ + 1.0000 F- = NpO2F
-llnl_gamma 3.0
log_k +1.0000
-delta_H 34.2521 kJ/mol # Calculated enthalpy of reaction NpO2F
# Enthalpy of formation: -305.709 kcal/mol
-analytic -1.9364e+002 -4.4083e-002 4.5602e+003 7.7791e+001 7.7840e+001
# -Range: 25-150
1.0000 NpO2++ + 1.0000 F- = NpO2F+
-llnl_gamma 4.0
log_k +4.6000
-delta_H 0.883568 kJ/mol # Calculated enthalpy of reaction NpO2F+
# Enthalpy of formation: -285.598 kcal/mol
-analytic 9.6320e+002 2.4799e-001 -2.7614e+004 -3.7985e+002 -4.7128e+002
# -Range: 25-150
2.0000 F- + 1.0000 NpO2++ = NpO2F2
-llnl_gamma 3.0
log_k +7.8000
-delta_H 2.60319 kJ/mol # Calculated enthalpy of reaction NpO2F2
# Enthalpy of formation: -365.337 kcal/mol
-analytic 1.9648e+002 6.4083e-002 -4.5601e+003 -7.7790e+001 -7.7840e+001
# -Range: 25-150
1.0000 NpO2+ + 1.0000 HPO4-- + 1.0000 H+ = NpO2H2PO4
-llnl_gamma 3.0
log_k +0.6000
-delta_H 18.717 kJ/mol # Calculated enthalpy of reaction NpO2H2PO4
# Enthalpy of formation: -538.087 kcal/mol
-analytic 1.0890e+003 2.7738e-001 -3.0654e+004 -4.3171e+002 -5.2317e+002
# -Range: 25-150
1.0000 NpO2++ + 1.0000 HPO4-- + 1.0000 H+ = NpO2H2PO4+
-llnl_gamma 4.0
log_k +2.3000
-delta_H 9.31014 kJ/mol # Calculated enthalpy of reaction NpO2H2PO4+
# Enthalpy of formation: -512.249 kcal/mol
-analytic -5.6996e+003 -1.4008e+000 1.6898e+005 2.2441e+003 2.8838e+003
# -Range: 25-150
1.0000 NpO2++ + 1.0000 HPO4-- = NpO2HPO4
-llnl_gamma 3.0
log_k +8.2000
-delta_H -6.47609 kJ/mol # Calculated enthalpy of reaction NpO2HPO4
# Enthalpy of formation: -516.022 kcal/mol
-analytic 4.8515e+003 1.2189e+000 -1.4069e+005 -1.9135e+003 -2.4011e+003
# -Range: 25-150
1.0000 NpO2+ + 1.0000 HPO4-- = NpO2HPO4-
-llnl_gamma 4.0
log_k +3.5000
-delta_H 49.8668 kJ/mol # Calculated enthalpy of reaction NpO2HPO4-
# Enthalpy of formation: -530.642 kcal/mol
-analytic -4.1705e+003 -9.9302e-001 1.2287e+005 1.6399e+003 2.0969e+003
# -Range: 25-150
1.0000 NpO2+ + 1.0000 H2O = NpO2OH +1.0000 H+
-llnl_gamma 3.0
log_k -8.9
-delta_H 43.6285 kJ/mol # Calculated enthalpy of reaction NpO2OH
# Enthalpy of formation: -291.635 kcal/mol
-analytic -4.5710e+002 -1.2286e-001 1.0640e+004 1.8151e+002 1.8163e+002
# -Range: 25-150
1.0000 NpO2++ + 1.0000 H2O = NpO2OH+ +1.0000 H+
-llnl_gamma 4.0
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+002 4.0017e-002 -7.5154e+003 -6.7399e+001 -1.2823e+002
# -Range: 25-150
1.0000 SO4-- + 1.0000 NpO2++ = NpO2SO4
-llnl_gamma 3.0
log_k +3.3000
-delta_H 19.8789 kJ/mol # Calculated enthalpy of reaction NpO2SO4
# Enthalpy of formation: -418.308 kcal/mol
-analytic -1.5624e+002 7.3296e-003 6.7555e+003 5.4435e+001 1.1527e+002
# -Range: 25-150
1.0000 SO4-- + 1.0000 NpO2+ = NpO2SO4-
-llnl_gamma 4.0
log_k +0.4000
-delta_H 19.1395 kJ/mol # Calculated enthalpy of reaction NpO2SO4-
# Enthalpy of formation: -446.571 kcal/mol
-analytic -3.1804e+002 -9.3472e-002 7.6002e+003 1.2965e+002 1.2973e+002
# -Range: 25-150
1.0000 Np+++ + 1.0000 H2O = NpOH++ +1.0000 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+002 3.2671e-002 -6.7555e+003 -5.4435e+001 -1.1526e+002
# -Range: 25-150
1.0000 Np++++ + 1.0000 H2O = NpOH+++ +1.0000 H+
-llnl_gamma 5.0
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+002 -5.2443e-002 2.7025e+003 7.6503e+001 4.6154e+001
# -Range: 25-150
1.0000 SO4-- + 1.0000 Np++++ = NpSO4++
-llnl_gamma 4.5
log_k +5.5000
-delta_H 20.7377 kJ/mol # Calculated enthalpy of reaction NpSO4+2
# Enthalpy of formation: -345.331 kcal/mol
-analytic 3.9477e+002 1.1981e-001 -1.0978e+004 -1.5687e+002 -1.8736e+002
# -Range: 25-150
1.0000 H2O = OH- +1.0000 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+001 -3.0619e-002 -1.9901e+003 2.8004e+001 -3.1033e+001
# -Range: 0-300
2.0000 HPO4-- = P2O7---- +1.0000 H2O
-llnl_gamma 4.0
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+002 1.3243e-001 -1.1373e+004 -1.6727e+002 -1.7758e+002
# -Range: 0-300
3.0000 H+ + 1.0000 HPO4-- = PH4+ +2.0000 O2
-llnl_gamma 4.0
log_k -212.7409
-delta_H 0 # Not possible to calculate enthalpy of reaction PH4+
# Enthalpy of formation: -0 kcal/mol
1.0000 HPO4-- + 1.0000 H+ + 1.0000 F- = PO3F-- +1.0000 H2O
-llnl_gamma 4.0
log_k +7.1993
-delta_H 0 # Not possible to calculate enthalpy of reaction PO3F-2
# Enthalpy of formation: -0 kcal/mol
1.0000 HPO4-- = PO4--- +1.0000 H+
-llnl_gamma 4.0
log_k -12.3218
-delta_H 14.7068 kJ/mol # Calculated enthalpy of reaction PO4-3
# Enthalpy of formation: -305.3 kcal/mol
-analytic -7.6170e+001 -3.3574e-002 1.3405e+002 2.9658e+001 2.1140e+000
# -Range: 0-300
2.0000 BrO3- + 1.0000 Pb++ = Pb(BrO3)2
-llnl_gamma 3.0
log_k +5.1939
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(BrO3)2
# Enthalpy of formation: -0 kcal/mol
2.0000 CH3COOH + 1.0000 Pb++ = Pb(CH3COO)2 +2.0000 H+
-llnl_gamma 3.0
log_k -6.1133
-delta_H 10.5437 kJ/mol # Calculated enthalpy of reaction Pb(CH3COO)2
# Enthalpy of formation: -229.46 kcal/mol
-analytic -1.7315e+001 -1.0618e-003 -3.6365e+003 6.9263e+000 5.8659e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Pb++ = Pb(CH3COO)3- +3.0000 H+
-llnl_gamma 4.0
log_k -8.972
-delta_H -2.84512 kJ/mol # Calculated enthalpy of reaction Pb(CH3COO)3-
# Enthalpy of formation: -348.76 kcal/mol
-analytic 1.2417e+001 -3.1481e-003 -9.4152e+003 -1.6846e+000 1.3623e+006
# -Range: 0-300
2.0000 HCO3- + 1.0000 Pb++ = Pb(CO3)2-- +2.0000 H+
-llnl_gamma 4.0
log_k -11.2576
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(CO3)2-2
# Enthalpy of formation: -0 kcal/mol
2.0000 ClO3- + 1.0000 Pb++ = Pb(ClO3)2
-llnl_gamma 3.0
log_k -0.5133
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(ClO3)2
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 Pb++ = Pb(OH)2 +2.0000 H+
-llnl_gamma 3.0
log_k -17.0902
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(OH)2
# Enthalpy of formation: -0 kcal/mol
3.0000 H2O + 1.0000 Pb++ = Pb(OH)3- +3.0000 H+
-llnl_gamma 4.0
log_k -28.0852
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(OH)3-
# Enthalpy of formation: -0 kcal/mol
2.0000 Thiocyanate- + 1.0000 Pb++ = Pb(Thiocyanate)2
-llnl_gamma 3.0
log_k +1.2455
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(Thiocyanate)2
# Enthalpy of formation: -0 kcal/mol
2.0000 Pb++ + 1.0000 H2O = Pb2OH+++ +1.0000 H+
-llnl_gamma 5.0
log_k -6.3951
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb2OH+3
# Enthalpy of formation: -0 kcal/mol
4.0000 H2O + 3.0000 Pb++ = Pb3(OH)4++ +4.0000 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
4.0000 Pb++ + 4.0000 H2O = Pb4(OH)4++++ +4.0000 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
8.0000 H2O + 6.0000 Pb++ = Pb6(OH)8++++ +8.0000 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
1.0000 Pb++ + 1.0000 Br- = PbBr+
-llnl_gamma 4.0
log_k +1.1831
-delta_H 0 # Not possible to calculate enthalpy of reaction PbBr+
# Enthalpy of formation: -0 kcal/mol
2.0000 Br- + 1.0000 Pb++ = PbBr2
-llnl_gamma 3.0
log_k +1.5062
-delta_H 0 # Not possible to calculate enthalpy of reaction PbBr2
# Enthalpy of formation: -0 kcal/mol
3.0000 Br- + 1.0000 Pb++ = PbBr3-
-llnl_gamma 4.0
log_k +1.2336
-delta_H 0 # Not possible to calculate enthalpy of reaction PbBr3-
# Enthalpy of formation: -0 kcal/mol
1.0000 Pb++ + 1.0000 BrO3- = PbBrO3+
-llnl_gamma 4.0
log_k +1.9373
-delta_H 0 # Not possible to calculate enthalpy of reaction PbBrO3+
# Enthalpy of formation: -0 kcal/mol
1.0000 Pb++ + 1.0000 CH3COOH = PbCH3COO+ +1.0000 H+
-llnl_gamma 4.0
log_k -2.3603
-delta_H -2.33147e-15 kJ/mol # Calculated enthalpy of reaction PbCH3COO+
# Enthalpy of formation: -115.88 kcal/mol
-analytic -2.6822e+001 1.0992e-003 7.3688e+002 8.4407e+000 7.0266e+004
# -Range: 0-300
1.0000 Pb++ + 1.0000 HCO3- = PbCO3 +1.0000 H+
-llnl_gamma 3.0
log_k -3.7488
-delta_H 0 # Not possible to calculate enthalpy of reaction PbCO3
# Enthalpy of formation: -0 kcal/mol
1.0000 Pb++ + 1.0000 Cl- = PbCl+
-llnl_gamma 4.0
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+002 4.3527e-002 -2.7666e+003 -4.9190e+001 -4.3206e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Pb++ = PbCl2
-llnl_gamma 3.0
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+002 7.7574e-002 -5.5112e+003 -9.2131e+001 -8.6064e+001
# -Range: 0-300
3.0000 Cl- + 1.0000 Pb++ = PbCl3-
-llnl_gamma 4.0
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+002 8.9159e-002 -6.0116e+003 -1.0395e+002 -9.3880e+001
# -Range: 0-300
4.0000 Cl- + 1.0000 Pb++ = PbCl4--
-llnl_gamma 4.0
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+002 7.6332e-002 -1.1507e+003 -6.3786e+001 -1.7997e+001
# -Range: 0-300
1.0000 Pb++ + 1.0000 ClO3- = PbClO3+
-llnl_gamma 4.0
log_k -0.2208
-delta_H 0 # Not possible to calculate enthalpy of reaction PbClO3+
# Enthalpy of formation: -0 kcal/mol
1.0000 Pb++ + 1.0000 F- = PbF+
-llnl_gamma 4.0
log_k +0.8284
-delta_H 0 # Not possible to calculate enthalpy of reaction PbF+
# Enthalpy of formation: -0 kcal/mol
2.0000 F- + 1.0000 Pb++ = PbF2
-llnl_gamma 3.0
log_k +1.6132
-delta_H 0 # Not possible to calculate enthalpy of reaction PbF2
# Enthalpy of formation: -0 kcal/mol
1.0000 Pb++ + 1.0000 HPO4-- + 1.0000 H+ = PbH2PO4+
-llnl_gamma 4.0
log_k +1.5000
-delta_H 0 # Not possible to calculate enthalpy of reaction PbH2PO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 Pb++ + 1.0000 HPO4-- = PbHPO4
-llnl_gamma 3.0
log_k +3.1000
-delta_H 0 # Not possible to calculate enthalpy of reaction PbHPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 Pb++ + 1.0000 I- = PbI+
-llnl_gamma 4.0
log_k +1.9597
-delta_H 0 # Not possible to calculate enthalpy of reaction PbI+
# Enthalpy of formation: -0 kcal/mol
2.0000 I- + 1.0000 Pb++ = PbI2
-llnl_gamma 3.0
log_k +2.7615
-delta_H 0 # Not possible to calculate enthalpy of reaction PbI2
# Enthalpy of formation: -0 kcal/mol
3.0000 I- + 1.0000 Pb++ = PbI3-
-llnl_gamma 4.0
log_k +3.3355
-delta_H 0 # Not possible to calculate enthalpy of reaction PbI3-
# Enthalpy of formation: -0 kcal/mol
4.0000 I- + 1.0000 Pb++ = PbI4--
-llnl_gamma 4.0
log_k +4.0672
-delta_H 0 # Not possible to calculate enthalpy of reaction PbI4-2
# Enthalpy of formation: -0 kcal/mol
1.0000 Pb++ + 1.0000 NO3- = PbNO3+
-llnl_gamma 4.0
log_k +1.2271
-delta_H 0 # Not possible to calculate enthalpy of reaction PbNO3+
# Enthalpy of formation: -0 kcal/mol
1.0000 Pb++ + 1.0000 H2O = PbOH+ +1.0000 H+
-llnl_gamma 4.0
log_k -7.6951
-delta_H 0 # Not possible to calculate enthalpy of reaction PbOH+
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Pb++ = PbP2O7-- +1.0000 H2O
-llnl_gamma 4.0
log_k +7.4136
-delta_H 0 # Not possible to calculate enthalpy of reaction PbP2O7-2
# Enthalpy of formation: -0 kcal/mol
1.0000 Thiocyanate- + 1.0000 Pb++ = PbThiocyanate+
-llnl_gamma 4.0
log_k +0.9827
-delta_H 0 # Not possible to calculate enthalpy of reaction PbThiocyanate+
# Enthalpy of formation: -0 kcal/mol
1.0000 Pd++ + 1.0000 Cl- = PdCl+
-llnl_gamma 4.0
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+001 3.6886e-002 7.3102e+002 -3.2402e+001 1.1385e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Pd++ = PdCl2
-llnl_gamma 3.0
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+002 7.9321e-002 8.2874e+002 -7.4416e+001 1.2882e+001
# -Range: 0-300
3.0000 Cl- + 1.0000 Pd++ = PdCl3-
-llnl_gamma 4.0
log_k +13.0937
-delta_H -101.592 kJ/mol # Calculated enthalpy of reaction PdCl3-
# Enthalpy of formation: -102 kcal/mol
-analytic 4.5978e+001 6.2999e-002 6.9333e+003 -3.0257e+001 1.0817e+002
# -Range: 0-300
4.0000 Cl- + 1.0000 Pd++ = PdCl4--
-llnl_gamma 4.0
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+001 5.3432e-002 1.2180e+004 -3.7814e+000 1.9006e+002
# -Range: 0-300
1.0000 Pd++ + 1.0000 H2O = PdO +2.0000 H+
-llnl_gamma 3.0
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+002 2.9292e-002 -4.6645e+003 -5.2997e+001 -7.2825e+001
# -Range: 0-300
1.0000 Pd++ + 1.0000 H2O = PdOH+ +1.0000 H+
-llnl_gamma 4.0
log_k -1.0905
-delta_H -3.19239 kJ/mol # Calculated enthalpy of reaction PdOH+
# Enthalpy of formation: -27 kcal/mol
-analytic 1.4291e+001 5.8382e-003 -1.9881e+002 -6.6475e+000 -3.1065e+000
# -Range: 0-300
2.0000 HCO3- + 1.0000 Pm+++ = Pm(CO3)2- +2.0000 H+
-llnl_gamma 4.0
log_k -7.9576
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Pm+++ = Pm(HPO4)2-
-llnl_gamma 4.0
log_k +9.2000
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 Pm+++ = Pm(OH)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -16.7902
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)2+
# Enthalpy of formation: -0 kcal/mol
3.0000 H2O + 1.0000 Pm+++ = Pm(OH)3 +3.0000 H+
-llnl_gamma 3.0
log_k -26.1852
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Pm+++ = Pm(PO4)2--- +2.0000 H+
-llnl_gamma 4.0
log_k -4.6837
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 Pm+++ = Pm(SO4)2-
-llnl_gamma 4.0
log_k +5.2000
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm(SO4)2-
# Enthalpy of formation: -0 kcal/mol
1.0000 Pm+++ + 1.0000 HCO3- = PmCO3+ +1.0000 H+
-llnl_gamma 4.0
log_k -2.6288
-delta_H 0 # Not possible to calculate enthalpy of reaction PmCO3+
# Enthalpy of formation: -0 kcal/mol
1.0000 Pm+++ + 1.0000 Cl- = PmCl++
-llnl_gamma 4.5
log_k +0.3400
-delta_H 0 # Not possible to calculate enthalpy of reaction PmCl+2
# Enthalpy of formation: -0 kcal/mol
1.0000 Pm+++ + 1.0000 F- = PmF++
-llnl_gamma 4.5
log_k +3.8000
-delta_H 0 # Not possible to calculate enthalpy of reaction PmF+2
# Enthalpy of formation: -0 kcal/mol
1.0000 Pm+++ + 1.0000 HPO4-- + 1.0000 H+ = PmH2PO4++
-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
1.0000 Pm+++ + 1.0000 HCO3- = PmHCO3++
-llnl_gamma 4.5
log_k +2.1000
-delta_H 0 # Not possible to calculate enthalpy of reaction PmHCO3+2
# Enthalpy of formation: -0 kcal/mol
1.0000 Pm+++ + 1.0000 HPO4-- = PmHPO4+
-llnl_gamma 4.0
log_k +5.5000
-delta_H 0 # Not possible to calculate enthalpy of reaction PmHPO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 Pm+++ + 1.0000 NO3- = PmNO3++
-llnl_gamma 4.5
log_k +1.1000
-delta_H 0 # Not possible to calculate enthalpy of reaction PmNO3+2
# Enthalpy of formation: -0 kcal/mol
1.0000 Pm+++ + 1.0000 H2O = PmOH++ +1.0000 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
1.0000 Pm+++ + 1.0000 HPO4-- = PmPO4 +1.0000 H+
-llnl_gamma 3.0
log_k -0.3718
-delta_H 0 # Not possible to calculate enthalpy of reaction PmPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Pm+++ = PmSO4+
-llnl_gamma 4.0
log_k +3.5000
-delta_H 0 # Not possible to calculate enthalpy of reaction PmSO4+
# Enthalpy of formation: -0 kcal/mol
2.0000 CH3COOH + 1.0000 Pr+++ = Pr(CH3COO)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -4.8525
-delta_H -23.8906 kJ/mol # Calculated enthalpy of reaction Pr(CH3COO)2+
# Enthalpy of formation: -406.71 kcal/mol
-analytic -1.6464e+001 6.2989e-004 -4.4771e+002 3.6947e+000 3.3816e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Pr+++ = Pr(CH3COO)3 +3.0000 H+
-llnl_gamma 3.0
log_k -8.2023
-delta_H -40.3756 kJ/mol # Calculated enthalpy of reaction Pr(CH3COO)3
# Enthalpy of formation: -526.75 kcal/mol
-analytic -1.2007e+001 4.9332e-004 0.0000e+000 0.0000e+000 3.2789e+005
# -Range: 0-300
2.0000 HCO3- + 1.0000 Pr+++ = Pr(CO3)2- +2.0000 H+
-llnl_gamma 4.0
log_k -8.1076
-delta_H 0 # Not possible to calculate enthalpy of reaction Pr(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Pr+++ = Pr(HPO4)2-
-llnl_gamma 4.0
log_k +8.9000
-delta_H 0 # Not possible to calculate enthalpy of reaction Pr(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Pr+++ = Pr(PO4)2--- +2.0000 H+
-llnl_gamma 4.0
log_k -5.5637
-delta_H 0 # Not possible to calculate enthalpy of reaction Pr(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 Pr+++ = Pr(SO4)2-
-llnl_gamma 4.0
log_k +4.9000
-delta_H 0 # Not possible to calculate enthalpy of reaction Pr(SO4)2-
# Enthalpy of formation: -0 kcal/mol
1.0000 Pr+++ + 1.0000 CH3COOH = PrCH3COO++ +1.0000 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+000 9.3878e-004 -5.7551e+002 2.2087e+000 2.4126e+005
# -Range: 0-300
1.0000 Pr+++ + 1.0000 HCO3- = PrCO3+ +1.0000 H+
-llnl_gamma 4.0
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+002 5.2156e-002 -6.5821e+003 -8.7701e+001 -1.0277e+002
# -Range: 0-300
1.0000 Pr+++ + 1.0000 Cl- = PrCl++
-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+001 3.7446e-002 -1.6661e+003 -3.2490e+001 -2.6020e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Pr+++ = PrCl2+
-llnl_gamma 4.0
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+002 8.1250e-002 -6.0401e+003 -9.3909e+001 -9.4318e+001
# -Range: 0-300
3.0000 Cl- + 1.0000 Pr+++ = PrCl3
-llnl_gamma 3.0
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+002 1.3095e-001 -1.2588e+004 -1.8075e+002 -1.9656e+002
# -Range: 0-300
4.0000 Cl- + 1.0000 Pr+++ = PrCl4-
-llnl_gamma 4.0
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+002 1.3647e-001 -1.5564e+004 -2.1485e+002 -2.4302e+002
# -Range: 0-300
1.0000 Pr+++ + 1.0000 F- = PrF++
-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+001 4.1115e-002 -2.5463e+003 -3.8236e+001 -3.9760e+001
# -Range: 0-300
2.0000 F- + 1.0000 Pr+++ = PrF2+
-llnl_gamma 4.0
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+002 8.5251e-002 -6.1908e+003 -9.9912e+001 -9.6675e+001
# -Range: 0-300
3.0000 F- + 1.0000 Pr+++ = PrF3
-llnl_gamma 3.0
log_k +9.6610
-delta_H -6.4852 kJ/mol # Calculated enthalpy of reaction PrF3
# Enthalpy of formation: -410.8 kcal/mol
-analytic 4.7885e+002 1.3764e-001 -1.2080e+004 -1.8980e+002 -1.8864e+002
# -Range: 0-300
4.0000 F- + 1.0000 Pr+++ = PrF4-
-llnl_gamma 4.0
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+002 1.4067e-001 -1.3523e+004 -2.1933e+002 -2.1118e+002
# -Range: 0-300
1.0000 Pr+++ + 1.0000 HPO4-- + 1.0000 H+ = PrH2PO4++
-llnl_gamma 4.5
log_k +9.5950
-delta_H -16.2548 kJ/mol # Calculated enthalpy of reaction PrH2PO4+2
# Enthalpy of formation: -481.5 kcal/mol
-analytic 1.0501e+002 6.3059e-002 3.8161e+002 -4.6656e+001 5.9234e+000
# -Range: 0-300
1.0000 Pr+++ + 1.0000 HCO3- = PrHCO3++
-llnl_gamma 4.5
log_k +1.9190
-delta_H -12.9788 kJ/mol # Calculated enthalpy of reaction PrHCO3+2
# Enthalpy of formation: -336.8 kcal/mol
-analytic 2.2010e+001 2.8541e-002 1.4574e+003 -1.3522e+001 2.2734e+001
# -Range: 0-300
1.0000 Pr+++ + 1.0000 HPO4-- = PrHPO4+
-llnl_gamma 4.0
log_k +5.4000
-delta_H 0 # Not possible to calculate enthalpy of reaction PrHPO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 Pr+++ + 1.0000 NO3- = PrNO3++
-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+001 2.5214e-002 2.1756e+003 -1.1490e+001 3.3943e+001
# -Range: 0-300
1.0000 Pr+++ + 1.0000 H2O = PrO+ +2.0000 H+
-llnl_gamma 4.0
log_k -17.29
-delta_H 117.642 kJ/mol # Calculated enthalpy of reaction PrO+
# Enthalpy of formation: -209 kcal/mol
-analytic 1.7927e+002 2.9467e-002 -1.3815e+004 -6.4259e+001 -2.1562e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Pr+++ = PrO2- +4.0000 H+
-llnl_gamma 4.0
log_k -37.5852
-delta_H 301.39 kJ/mol # Calculated enthalpy of reaction PrO2-
# Enthalpy of formation: -233.4 kcal/mol
-analytic -4.4480e+001 -1.6327e-002 -7.9031e+003 1.9348e+001 -8.5440e+005
# -Range: 0-300
2.0000 H2O + 1.0000 Pr+++ = PrO2H +3.0000 H+
-llnl_gamma 3.0
log_k -26.5901
-delta_H 231.517 kJ/mol # Calculated enthalpy of reaction PrO2H
# Enthalpy of formation: -250.1 kcal/mol
-analytic 3.3930e+002 4.4894e-002 -2.3769e+004 -1.2106e+002 -3.7099e+002
# -Range: 0-300
1.0000 Pr+++ + 1.0000 H2O = PrOH++ +1.0000 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+001 1.1073e-002 -5.9197e+003 -1.9525e+001 -9.2388e+001
# -Range: 0-300
1.0000 Pr+++ + 1.0000 HPO4-- = PrPO4 +1.0000 H+
-llnl_gamma 3.0
log_k -0.7218
-delta_H 0 # Not possible to calculate enthalpy of reaction PrPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Pr+++ = PrSO4+
-llnl_gamma 4.0
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+002 8.4671e-002 -1.0638e+004 -1.1509e+002 -1.6608e+002
# -Range: 0-300
2.0000 HPO4-- + 1.0000 Pu++++ = Pu(HPO4)2
-llnl_gamma 3.0
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+002 3.2577e-001 -2.0881e+004 -3.7466e+002 -3.5492e+002
# -Range: 0-200
3.0000 HPO4-- + 1.0000 Pu++++ = Pu(HPO4)3--
-llnl_gamma 4.0
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+002 2.3011e-001 -1.2752e+004 -2.5761e+002 -1.9917e+002
# -Range: 0-300
4.0000 HPO4-- + 1.0000 Pu++++ = Pu(HPO4)4----
-llnl_gamma 4.0
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+002 3.0730e-001 -1.3644e+004 -3.4573e+002 -2.1316e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Pu++++ = Pu(OH)2++ +2.0000 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+001 6.8394e-003 -6.3710e+003 -2.3833e+001 -9.9435e+001
# -Range: 0-300
3.0000 H2O + 1.0000 Pu++++ = Pu(OH)3+ +3.0000 H+
-llnl_gamma 4.0
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+002 1.4199e-002 -8.4954e+003 -3.6278e+001 -1.3259e+002
# -Range: 0-300
4.0000 H2O + 1.0000 Pu++++ = Pu(OH)4 +4.0000 H+
-llnl_gamma 3.0
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+002 1.0252e-001 -1.1289e+004 -1.1369e+002 -1.9181e+002
# -Range: 0-200
2.0000 SO4-- + 1.0000 Pu++++ = Pu(SO4)2
-llnl_gamma 3.0
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+002 1.9308e-001 -1.3213e+004 -2.1824e+002 -2.2457e+002
# -Range: 0-200
2.0000 SO4-- + 1.0000 Pu+++ = Pu(SO4)2-
-llnl_gamma 4.0
log_k +6.3200
-delta_H 0 # Not possible to calculate enthalpy of reaction Pu(SO4)2-
# Enthalpy of formation: -0 kcal/mol
1.0000 Pu++++ + 1.0000 F- = PuF+++
-llnl_gamma 5.0
log_k +8.4600
-delta_H 0 # Not possible to calculate enthalpy of reaction PuF+3
# Enthalpy of formation: -0 kcal/mol
2.0000 F- + 1.0000 Pu++++ = PuF2++
-llnl_gamma 4.5
log_k +15.4000
-delta_H 0 # Not possible to calculate enthalpy of reaction PuF2+2
# Enthalpy of formation: -0 kcal/mol
3.0000 F- + 1.0000 Pu++++ = PuF3+
-llnl_gamma 4.0
log_k +5.3000
-delta_H 0 # Not possible to calculate enthalpy of reaction PuF3+
# Enthalpy of formation: -0 kcal/mol
4.0000 F- + 1.0000 Pu++++ = PuF4
-llnl_gamma 3.0
log_k +4.2000
-delta_H 0 # Not possible to calculate enthalpy of reaction PuF4
# Enthalpy of formation: -0 kcal/mol
1.0000 Pu+++ + 1.0000 HPO4-- + 1.0000 H+ = PuH2PO4++
-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+002 6.4502e-002 -6.4723e+003 -8.2341e+001 -1.0106e+002
# -Range: 0-300
1.0000 Pu++++ + 1.0000 HPO4-- = PuHPO4++
-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+002 7.1073e-002 -6.9134e+003 -8.5504e+001 -1.0794e+002
# -Range: 0-300
2.0000 HCO3- + 1.0000 PuO2++ = PuO2(CO3)2-- +2.0000 H+
-llnl_gamma 4.0
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+002 7.6132e-002 -9.7187e+003 -1.0577e+002 -1.5173e+002
# -Range: 0-300
1.0000 PuO2++ + 1.0000 Cl- = PuO2Cl+
-llnl_gamma 4.0
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+001 3.8617e-002 -2.5210e+003 -4.1075e+001 -3.9367e+001
# -Range: 0-300
1.0000 PuO2++ + 1.0000 F- = PuO2F+
-llnl_gamma 4.0
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+002 4.1224e-002 -2.0503e+003 -4.6009e+001 -3.2027e+001
# -Range: 0-300
2.0000 F- + 1.0000 PuO2++ = PuO2F2
-llnl_gamma 3.0
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+002 9.1597e-002 -4.4557e+003 -1.0362e+002 -7.5752e+001
# -Range: 0-200
3.0000 F- + 1.0000 PuO2++ = PuO2F3-
-llnl_gamma 4.0
log_k +15.9160
-delta_H -29.4032 kJ/mol # Calculated enthalpy of reaction PuO2F3-
# Enthalpy of formation: -1857.02 kJ/mol
-analytic 3.6102e+002 8.6364e-002 -8.7129e+003 -1.3805e+002 -1.3606e+002
# -Range: 0-300
4.0000 F- + 1.0000 PuO2++ = PuO2F4--
-llnl_gamma 4.0
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+002 1.3649e-001 -9.8336e+003 -1.8510e+002 -1.5358e+002
# -Range: 0-300
1.0000 PuO2++ + 1.0000 HPO4-- + 1.0000 H+ = PuO2H2PO4+
-llnl_gamma 4.0
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+002 6.8671e-002 -4.3390e+003 -8.2930e+001 -6.7768e+001
# -Range: 0-300
1.0000 PuO2+ + 1.0000 H2O = PuO2OH +1.0000 H+
-llnl_gamma 3.0
log_k -9.6674
-delta_H 69.1763 kJ/mol # Calculated enthalpy of reaction PuO2OH
# Enthalpy of formation: -1130.85 kJ/mol
-analytic 7.1080e+001 2.6141e-002 -5.0337e+003 -2.8956e+001 -8.5504e+001
# -Range: 0-200
1.0000 PuO2++ + 1.0000 H2O = PuO2OH+ +1.0000 H+
-llnl_gamma 4.0
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+000 1.1645e-003 -1.1299e+003 1.3419e+000 -1.4364e+005
# -Range: 0-300
1.0000 SO4-- + 1.0000 PuO2++ = PuO2SO4
-llnl_gamma 3.0
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+002 7.3903e-002 -5.1940e+003 -8.2833e+001 -8.8273e+001
# -Range: 0-200
1.0000 Pu+++ + 1.0000 H2O = PuOH++ +1.0000 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+000 3.0278e-003 -1.9675e+003 -1.6100e+000 -1.1524e+005
# -Range: 0-300
1.0000 Pu++++ + 1.0000 H2O = PuOH+++ +1.0000 H+
-llnl_gamma 5.0
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+001 1.1119e-003 -3.9252e+003 -1.1609e+001 -6.1260e+001
# -Range: 0-300
1.0000 SO4-- + 1.0000 Pu+++ = PuSO4+
-llnl_gamma 4.0
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+002 7.7154e-002 -4.2751e+003 -7.9646e+001 -6.6765e+001
# -Range: 0-300
1.0000 SO4-- + 1.0000 Pu++++ = PuSO4++
-llnl_gamma 4.5
log_k +5.7710
-delta_H 12.3336 kJ/mol # Calculated enthalpy of reaction PuSO4+2
# Enthalpy of formation: -1433.16 kJ/mol
-analytic 1.9418e+002 7.5477e-002 -4.2767e+003 -7.9425e+001 -6.6792e+001
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Ra++ = Ra(CH3COO)2 +2.0000 H+
-llnl_gamma 3.0
log_k -7.9018
-delta_H 21.0874 kJ/mol # Calculated enthalpy of reaction Ra(CH3COO)2
# Enthalpy of formation: -353.26 kcal/mol
-analytic 2.2767e+001 3.1254e-003 -6.4558e+003 -7.2253e+000 7.0689e+005
# -Range: 0-300
1.0000 Ra++ + 1.0000 CH3COOH = RaCH3COO+ +1.0000 H+
-llnl_gamma 4.0
log_k -3.709
-delta_H 11.7989 kJ/mol # Calculated enthalpy of reaction RaCH3COO+
# Enthalpy of formation: -239.38 kcal/mol
-analytic -1.8268e+001 2.9956e-003 1.9313e+001 5.2767e+000 4.9771e+004
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Rb+ = Rb(CH3COO)2- +2.0000 H+
-llnl_gamma 4.0
log_k -9.7636
-delta_H -1.12968 kJ/mol # Calculated enthalpy of reaction Rb(CH3COO)2-
# Enthalpy of formation: -292.49 kcal/mol
-analytic -1.9198e+002 -4.2101e-002 5.5792e+003 7.1152e+001 8.7114e+001
# -Range: 0-300
1.0000 Rb+ + 1.0000 Br- = RbBr
-llnl_gamma 3.0
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+002 3.3825e-002 -3.9500e+003 -4.7920e+001 -6.1671e+001
# -Range: 0-300
1.0000 Rb+ + 1.0000 CH3COOH = RbCH3COO +1.0000 H+
-llnl_gamma 3.0
log_k -4.7279
-delta_H 4.89528 kJ/mol # Calculated enthalpy of reaction RbCH3COO
# Enthalpy of formation: -174.95 kcal/mol
-analytic 1.5661e+001 -2.4230e-003 -2.5280e+003 -5.4433e+000 2.0344e+005
# -Range: 0-300
1.0000 Rb+ + 1.0000 Cl- = RbCl
-llnl_gamma 3.0
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+002 3.5557e-002 -4.0822e+003 -5.0412e+001 -6.3736e+001
# -Range: 0-300
1.0000 Rb+ + 1.0000 F- = RbF
-llnl_gamma 3.0
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+002 3.8188e-002 -3.8677e+003 -5.5109e+001 -6.0393e+001
# -Range: 0-300
1.0000 Rb+ + 1.0000 I- = RbI
-llnl_gamma 3.0
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+002 3.3121e-002 -3.4217e+003 -4.6096e+001 -5.3426e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Ru+++ = Ru(Cl)2+
-llnl_gamma 4.0
log_k +3.7527
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(Cl)2+
# Enthalpy of formation: -0 kcal/mol
3.0000 Cl- + 1.0000 Ru+++ = Ru(Cl)3
-llnl_gamma 3.0
log_k +4.2976
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(Cl)3
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 Ru+++ = Ru(OH)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -3.5148
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2+
# Enthalpy of formation: -0 kcal/mol
1.0000 Ru(OH)2++ + 1.0000 Cl- = Ru(OH)2Cl+
-llnl_gamma 4.0
log_k +1.3858
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl+
# Enthalpy of formation: -0 kcal/mol
2.0000 Cl- + 1.0000 Ru(OH)2++ = Ru(OH)2Cl2
-llnl_gamma 3.0
log_k +1.8081
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl2
# Enthalpy of formation: -0 kcal/mol
3.0000 Cl- + 1.0000 Ru(OH)2++ = Ru(OH)2Cl3-
-llnl_gamma 4.0
log_k +1.6172
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl3-
# Enthalpy of formation: -0 kcal/mol
4.0000 Cl- + 1.0000 Ru(OH)2++ = Ru(OH)2Cl4--
-llnl_gamma 4.0
log_k +2.7052
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl4-2
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Ru(OH)2++ = Ru(OH)2SO4
-llnl_gamma 3.0
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
2H2O + Ru(OH)2++ = Ru(OH)4 + 2H+
-llnl_gamma 3.0
# 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
2.0000 SO4-- + 1.0000 Ru+++ = Ru(SO4)2-
-llnl_gamma 4.0
log_k +3.0627
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru(SO4)2-
# Enthalpy of formation: -0 kcal/mol
4.0000 Ru(OH)2++ + 4.0000 H2O = Ru4(OH)12++++ +4.0000 H+
-llnl_gamma 5.5
log_k +7.1960
-delta_H 0 # Not possible to calculate enthalpy of reaction Ru4(OH)12+4
# Enthalpy of formation: -0 kcal/mol
1.0000 Ru++ + 1.0000 Cl- = RuCl+
-llnl_gamma 4.0
log_k -0.4887
-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl+
# Enthalpy of formation: -0 kcal/mol
1.0000 Ru+++ + 1.0000 Cl- = RuCl++
-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
4.0000 Cl- + 1.0000 Ru+++ = RuCl4-
-llnl_gamma 4.0
log_k +4.1418
-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl4-
# Enthalpy of formation: -0 kcal/mol
5.0000 Cl- + 1.0000 Ru+++ = RuCl5--
-llnl_gamma 4.0
log_k +3.8457
-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl5-2
# Enthalpy of formation: -0 kcal/mol
6.0000 Cl- + 1.0000 Ru+++ = RuCl6---
-llnl_gamma 4.0
log_k +3.4446
-delta_H 0 # Not possible to calculate enthalpy of reaction RuCl6-3
# Enthalpy of formation: -0 kcal/mol
1.0000 Ru+++ + 1.0000 H2O = RuOH++ +1.0000 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
1.0000 SO4-- + 1.0000 Ru++ = RuSO4
-llnl_gamma 3.0
log_k +2.3547
-delta_H 0 # Not possible to calculate enthalpy of reaction RuSO4
# Enthalpy of formation: -0 kcal/mol
1.0000 SO4-- + 1.0000 Ru+++ = RuSO4+
-llnl_gamma 4.0
log_k +1.9518
-delta_H 0 # Not possible to calculate enthalpy of reaction RuSO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 HS- = S-- +1.0000 H+
-llnl_gamma 5.0
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+001 3.2913e-002 -5.0784e+003 -4.1812e+001 -7.9273e+001
# -Range: 0-300
2.0000 H+ + 2.0000 SO3-- = S2O5-- + H2O
-llnl_gamma 4.0
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+03 0.62883E-01 -0.18005E+04 -0.50798E+02 -0.28132E+02
# -Range: 0-300
2.0000 H+ + 1.0000 SO3-- = SO2 +1.0000 H2O
-llnl_gamma 3.0
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+001 6.2127e-002 -1.1072e+003 -4.0310e+001 -1.7305e+001
# -Range: 0-300
1.0000 Sb(OH)3 + 1.0000 H+ = Sb(OH)2+ +1.0000 H2O
-llnl_gamma 4.0
log_k +1.4900
-delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)2+
# Enthalpy of formation: -0 kcal/mol
-analytic -4.9192e+000 -1.6439e-004 1.4777e+003 6.0724e-001 2.3059e+001
# -Range: 0-300
1.0000 Sb(OH)3 + 1.0000 H+ + 1.0000 F- = Sb(OH)2F +1.0000 H2O
-llnl_gamma 3.0
log_k +7.1700
-delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)2F
# Enthalpy of formation: -0 kcal/mol
-analytic -1.6961e+002 5.7364e-002 2.7207e+004 3.7969e+001 -2.2834e+006
# -Range: 0-300
1.0000 Sb(OH)3 + 1.0000 H2O = Sb(OH)4- +1.0000 H+
-llnl_gamma 4.0
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+001 -6.7112e-003 -4.8976e+003 -1.7138e+001 -8.3725e+004
# -Range: 0-300
4.0000 HS- + 2.0000 Sb(OH)3 + 2.0000 H+ = Sb2S4-- +6.0000 H2O
-llnl_gamma 4.0
log_k +39.1100
-delta_H 0 # Not possible to calculate enthalpy of reaction Sb2S4-2
# Enthalpy of formation: -0 kcal/mol
-analytic 1.7631e+002 8.3686e-002 9.7091e+003 -7.8605e+001 1.5145e+002
# -Range: 0-300
4.0000 Cl- + 3.0000 H+ + 1.0000 Sb(OH)3 = SbCl4- +3.0000 H2O
-llnl_gamma 4.0
log_k +3.0720
-delta_H 0 # Not possible to calculate enthalpy of reaction SbCl4-
# Enthalpy of formation: -0 kcal/mol
2.0000 CH3COOH + 1.0000 Sc+++ = Sc(CH3COO)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -3.7237
-delta_H -43.1789 kJ/mol # Calculated enthalpy of reaction Sc(CH3COO)2+
# Enthalpy of formation: -389.32 kcal/mol
-analytic -4.1862e+001 -3.9443e-005 2.1444e+002 1.2616e+001 5.5442e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Sc+++ = Sc(CH3COO)3 +3.0000 H+
-llnl_gamma 3.0
log_k -6.6777
-delta_H -70.0402 kJ/mol # Calculated enthalpy of reaction Sc(CH3COO)3
# Enthalpy of formation: -511.84 kcal/mol
-analytic -5.2525e+001 1.6181e-003 7.5022e+002 1.3988e+001 7.3540e+005
# -Range: 0-300
1.0000 Sc+++ + 1.0000 CH3COOH = ScCH3COO++ +1.0000 H+
-llnl_gamma 4.5
log_k -1.4294
-delta_H -21.7568 kJ/mol # Calculated enthalpy of reaction ScCH3COO+2
# Enthalpy of formation: -268.1 kcal/mol
-analytic -2.3400e+001 1.3144e-004 1.1125e+002 7.3527e+000 3.0025e+005
# -Range: 0-300
6.0000 F- + 4.0000 H+ + 1.0000 SiO2 = SiF6-- +2.0000 H2O
-llnl_gamma 4.0
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+002 1.0685e-001 5.8428e+002 -9.6798e+001 9.0486e+000
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Sm+++ = Sm(CH3COO)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -4.7132
-delta_H -25.5224 kJ/mol # Calculated enthalpy of reaction Sm(CH3COO)2+
# Enthalpy of formation: -403.5 kcal/mol
-analytic -1.4192e+001 2.1732e-003 -1.0267e+003 2.9516e+000 4.4389e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Sm+++ = Sm(CH3COO)3 +3.0000 H+
-llnl_gamma 3.0
log_k -7.8798
-delta_H -43.5554 kJ/mol # Calculated enthalpy of reaction Sm(CH3COO)3
# Enthalpy of formation: -523.91 kcal/mol
-analytic -2.0765e+001 1.1047e-003 -5.1181e+002 3.4797e+000 5.0618e+005
# -Range: 0-300
2.0000 HCO3- + 1.0000 Sm+++ = Sm(CO3)2- +2.0000 H+
-llnl_gamma 4.0
log_k -7.8576
-delta_H 0 # Not possible to calculate enthalpy of reaction Sm(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Sm+++ = Sm(HPO4)2-
-llnl_gamma 4.0
log_k +9.4000
-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
2.0000 HPO4-- + 1.0000 Sm+++ = Sm(PO4)2--- +2.0000 H+
-llnl_gamma 4.0
log_k -4.2437
-delta_H 0 # Not possible to calculate enthalpy of reaction Sm(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 Sm+++ = Sm(SO4)2-
-llnl_gamma 4.0
log_k +5.2000
-delta_H 0 # Not possible to calculate enthalpy of reaction Sm(SO4)2-
# Enthalpy of formation: -0 kcal/mol
1.0000 Sm+++ + 1.0000 CH3COOH = SmCH3COO++ +1.0000 H+
-llnl_gamma 4.5
log_k -1.9205
-delta_H -13.598 kJ/mol # Calculated enthalpy of reaction SmCH3COO+2
# Enthalpy of formation: -284.55 kcal/mol
-analytic -1.1734e+001 1.0889e-003 -5.1061e+002 3.3317e+000 2.6395e+005
# -Range: 0-300
1.0000 Sm+++ + 1.0000 HCO3- = SmCO3+ +1.0000 H+
-llnl_gamma 4.0
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+002 5.3703e-002 -7.0193e+003 -9.2863e+001 -1.0960e+002
# -Range: 0-300
1.0000 Sm+++ + 1.0000 Cl- = SmCl++
-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+001 3.9428e-002 -2.4198e+003 -3.9718e+001 -3.7787e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Sm+++ = SmCl2+
-llnl_gamma 4.0
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+002 8.4154e-002 -7.2061e+003 -1.0493e+002 -1.1252e+002
# -Range: 0-300
3.0000 Cl- + 1.0000 Sm+++ = SmCl3
-llnl_gamma 3.0
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+002 1.3520e-001 -1.4325e+004 -1.9720e+002 -2.2367e+002
# -Range: 0-300
4.0000 Cl- + 1.0000 Sm+++ = SmCl4-
-llnl_gamma 4.0
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+002 1.4212e-001 -1.7982e+004 -2.3782e+002 -2.8077e+002
# -Range: 0-300
1.0000 Sm+++ + 1.0000 F- = SmF++
-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+002 4.3117e-002 -3.2853e+003 -4.5499e+001 -5.1297e+001
# -Range: 0-300
2.0000 F- + 1.0000 Sm+++ = SmF2+
-llnl_gamma 4.0
log_k +7.6379
-delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction SmF2+
# Enthalpy of formation: -322.2 kcal/mol
-analytic 2.8030e+002 8.8143e-002 -7.2857e+003 -1.1092e+002 -1.1377e+002
# -Range: 0-300
3.0000 F- + 1.0000 Sm+++ = SmF3
-llnl_gamma 3.0
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+002 1.4191e-001 -1.3728e+004 -2.0628e+002 -2.1436e+002
# -Range: 0-300
4.0000 F- + 1.0000 Sm+++ = SmF4-
-llnl_gamma 4.0
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+002 1.4659e-001 -1.5887e+004 -2.4275e+002 -2.4809e+002
# -Range: 0-300
1.0000 Sm+++ + 1.0000 HPO4-- + 1.0000 H+ = SmH2PO4++
-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+002 6.4959e-002 -3.9576e+002 -5.3772e+001 -6.2124e+000
# -Range: 0-300
1.0000 Sm+++ + 1.0000 HCO3- = SmHCO3++
-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 5.5520e+001 3.3265e-002 -7.3142e+002 -2.4727e+001 -1.1430e+001
# -Range: 0-300
1.0000 Sm+++ + 1.0000 HPO4-- = SmHPO4+
-llnl_gamma 4.0
log_k +5.6000
-delta_H 0 # Not possible to calculate enthalpy of reaction SmHPO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 Sm+++ + 1.0000 NO3- = SmNO3++
-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+001 2.7125e-002 1.5091e+003 -1.8632e+001 2.3537e+001
# -Range: 0-300
1.0000 Sm+++ + 1.0000 H2O = SmO+ +2.0000 H+
-llnl_gamma 4.0
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+002 3.0198e-002 -1.3791e+004 -6.6588e+001 -2.1526e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Sm+++ = SmO2- +4.0000 H+
-llnl_gamma 4.0
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+001 -8.3384e-003 -1.0325e+004 -1.5506e+000 -6.7392e+005
# -Range: 0-300
2.0000 H2O + 1.0000 Sm+++ = SmO2H +3.0000 H+
-llnl_gamma 3.0
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+002 5.3761e-002 -2.4317e+004 -1.3305e+002 -3.7956e+002
# -Range: 0-300
1.0000 Sm+++ + 1.0000 H2O = SmOH++ +1.0000 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+001 1.1977e-002 -6.0852e+003 -2.2198e+001 -9.4972e+001
# -Range: 0-300
1.0000 Sm+++ + 1.0000 HPO4-- = SmPO4 +1.0000 H+
-llnl_gamma 3.0
log_k -0.2218
-delta_H 0 # Not possible to calculate enthalpy of reaction SmPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 Sm+++ + 1.0000 SO4-- = SmSO4+
-llnl_gamma 4.0
log_k +3.6430
-delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction SmSO4+
# Enthalpy of formation: -377.8 kcal/mol
-analytic 3.0597e+002 8.6258e-002 -9.0231e+003 -1.2032e+002 -1.4089e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Sn++ = Sn(OH)2 +2.0000 H+
-llnl_gamma 3.0
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+001 -1.0893e-002 -1.2048e+003 1.5100e+001 -2.0445e+001
# -Range: 0-200
2.0000 H2O + 1.0000 Sn++++ = Sn(OH)2++ +2.0000 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+001 5.9697e-003 3.3953e+003 4.8158e+000 -3.2042e+005
# -Range: 0-300
3.0000 H2O + 1.0000 Sn++++ = Sn(OH)3+ +3.0000 H+
-llnl_gamma 4.0
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+001 8.8580e-003 5.3803e+003 7.4994e+000 -4.8389e+005
# -Range: 0-300
3.0000 H2O + 1.0000 Sn++ = Sn(OH)3- +3.0000 H+
-llnl_gamma 4.0
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+002 1.9943e-002 -1.0700e+004 -5.8031e+001 -1.6701e+002
# -Range: 0-300
4.0000 H2O + 1.0000 Sn++++ = Sn(OH)4 +4.0000 H+
-llnl_gamma 3.0
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+001 -2.2641e-002 2.6682e+003 3.1614e+001 4.5337e+001
# -Range: 0-200
2.0000 SO4-- + 1.0000 Sn++++ = Sn(SO4)2
-llnl_gamma 3.0
log_k -0.8072
-delta_H 0 # Not possible to calculate enthalpy of reaction Sn(SO4)2
# Enthalpy of formation: -0 kcal/mol
1.0000 Sn++ + 1.0000 Cl- = SnCl+
-llnl_gamma 4.0
log_k +1.0500
-delta_H 0 # Not possible to calculate enthalpy of reaction SnCl+
# Enthalpy of formation: -0 kcal/mol
-analytic 3.0558e+002 8.2458e-002 -8.9329e+003 -1.2088e+002 -1.3948e+002
# -Range: 0-300
2.0000 Cl- + 1.0000 Sn++ = SnCl2
-llnl_gamma 3.0
log_k +1.7100
-delta_H 0 # Not possible to calculate enthalpy of reaction SnCl2
# Enthalpy of formation: -0 kcal/mol
-analytic 3.6600e+002 1.0753e-001 -1.0006e+004 -1.4660e+002 -1.5624e+002
# -Range: 0-300
3.0000 Cl- + 1.0000 Sn++ = SnCl3-
-llnl_gamma 4.0
log_k +1.6900
-delta_H 0 # Not possible to calculate enthalpy of reaction SnCl3-
# Enthalpy of formation: -0 kcal/mol
-analytic 3.6019e+002 1.0602e-001 -1.0337e+004 -1.4363e+002 -1.6141e+002
# -Range: 0-300
1.0000 Sn++ + 1.0000 F- = SnF+
-llnl_gamma 4.0
log_k +4.0800
-delta_H 0 # Not possible to calculate enthalpy of reaction SnF+
# Enthalpy of formation: -0 kcal/mol
-analytic 3.0020e+002 7.5485e-002 -8.4231e+003 -1.1734e+002 -1.3152e+002
# -Range: 0-300
2.0000 F- + 1.0000 Sn++ = SnF2
-llnl_gamma 3.0
log_k +6.6800
-delta_H 0 # Not possible to calculate enthalpy of reaction SnF2
# Enthalpy of formation: -0 kcal/mol
-analytic 4.1241e+002 1.0988e-001 -1.1151e+004 -1.6207e+002 -1.7413e+002
# -Range: 0-300
3.0000 F- + 1.0000 Sn++ = SnF3-
-llnl_gamma 4.0
log_k +9.4600
-delta_H 0 # Not possible to calculate enthalpy of reaction SnF3-
# Enthalpy of formation: -0 kcal/mol
-analytic 4.1793e+002 1.0898e-001 -1.1402e+004 -1.6273e+002 -1.7803e+002
# -Range: 0-300
1.0000 Sn++ + 1.0000 H2O = SnOH+ +1.0000 H+
-llnl_gamma 4.0
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+001 1.9149e-002 -3.3745e+003 -3.0560e+001 -5.2679e+001
# -Range: 0-300
1.0000 Sn++++ + 1.0000 H2O = SnOH+++ +1.0000 H+
-llnl_gamma 5.0
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+001 2.8878e-003 1.9476e+003 2.6622e+000 -1.6274e+005
# -Range: 0-300
1.0000 Sn++++ + 1.0000 SO4-- = SnSO4++
-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
2.0000 CH3COOH + 1.0000 Sr++ = Sr(CH3COO)2 +2.0000 H+
-llnl_gamma 3.0
log_k -7.8212
-delta_H 0.54392 kJ/mol # Calculated enthalpy of reaction Sr(CH3COO)2
# Enthalpy of formation: -363.74 kcal/mol
-analytic 1.2965e+001 4.7082e-003 -5.2538e+003 -5.2337e+000 7.4721e+005
# -Range: 0-300
1.0000 Sr++ + 1.0000 CH3COOH = SrCH3COO+ +1.0000 H+
-llnl_gamma 4.0
log_k -3.6724
-delta_H 2.3012 kJ/mol # Calculated enthalpy of reaction SrCH3COO+
# Enthalpy of formation: -247.22 kcal/mol
-analytic -1.4301e+001 1.2481e-003 -7.5690e+002 4.2760e+000 1.9800e+005
# -Range: 0-300
1.0000 Sr++ + 1.0000 HCO3- = SrCO3 +1.0000 H+
-llnl_gamma 3.0
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+002 5.2582e-002 -8.4861e+003 -8.7975e+001 -1.3248e+002
# -Range: 0-300
1.0000 Sr++ + 1.0000 Cl- = SrCl+
-llnl_gamma 4.0
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+001 3.9042e-002 -2.1458e+003 -4.0105e+001 -3.3511e+001
# -Range: 0-300
1.0000 Sr++ + 1.0000 F- = SrF+
-llnl_gamma 4.0
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+001 3.7609e-002 -1.9012e+003 -3.8379e+001 -2.9693e+001
# -Range: 0-300
1.0000 Sr++ + 1.0000 HPO4-- + 1.0000 H+ = SrH2PO4+
-llnl_gamma 4.0
log_k +0.7300
-delta_H 0 # Not possible to calculate enthalpy of reaction SrH2PO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 Sr++ + 1.0000 HPO4-- = SrHPO4
-llnl_gamma 3.0
log_k +2.0600
-delta_H 0 # Not possible to calculate enthalpy of reaction SrHPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 Sr++ + 1.0000 NO3- = SrNO3+
-llnl_gamma 4.0
log_k +0.8000
-delta_H 0 # Not possible to calculate enthalpy of reaction SrNO3+
# Enthalpy of formation: -0 kcal/mol
1.0000 Sr++ + 1.0000 H2O = SrOH+ +1.0000 H+
-llnl_gamma 4.0
log_k -13.29
-delta_H 0 # Not possible to calculate enthalpy of reaction SrOH+
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Sr++ = SrP2O7-- +1.0000 H2O
-llnl_gamma 4.0
log_k +1.6537
-delta_H 0 # Not possible to calculate enthalpy of reaction SrP2O7-2
# Enthalpy of formation: -0 kcal/mol
1.0000 Sr++ + 1.0000 SO4-- = SrSO4
-llnl_gamma 3.0
log_k +2.3000
-delta_H 0 # Not possible to calculate enthalpy of reaction SrSO4
# Enthalpy of formation: -0 kcal/mol
2.0000 CH3COOH + 1.0000 Tb+++ = Tb(CH3COO)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -4.9625
-delta_H -27.9491 kJ/mol # Calculated enthalpy of reaction Tb(CH3COO)2+
# Enthalpy of formation: -405.78 kcal/mol
-analytic -2.3910e+001 1.3433e-003 -8.0800e+002 6.3895e+000 4.8619e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Tb+++ = Tb(CH3COO)3 +3.0000 H+
-llnl_gamma 3.0
log_k -8.3489
-delta_H -47.1537 kJ/mol # Calculated enthalpy of reaction Tb(CH3COO)3
# Enthalpy of formation: -526.47 kcal/mol
-analytic -1.0762e+001 4.2361e-003 -1.5620e+003 -3.9317e-001 6.5745e+005
# -Range: 0-300
2.0000 HCO3- + 1.0000 Tb+++ = Tb(CO3)2- +2.0000 H+
-llnl_gamma 4.0
log_k -7.5576
-delta_H 0 # Not possible to calculate enthalpy of reaction Tb(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Tb+++ = Tb(HPO4)2-
-llnl_gamma 4.0
log_k +9.7000
-delta_H 0 # Not possible to calculate enthalpy of reaction Tb(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Tb+++ = Tb(PO4)2--- +2.0000 H+
-llnl_gamma 4.0
log_k -3.6437
-delta_H 0 # Not possible to calculate enthalpy of reaction Tb(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 Tb+++ = Tb(SO4)2-
-llnl_gamma 4.0
log_k +5.0000
-delta_H 0 # Not possible to calculate enthalpy of reaction Tb(SO4)2-
# Enthalpy of formation: -0 kcal/mol
1.0000 Tb+++ + 1.0000 CH3COOH = TbCH3COO++ +1.0000 H+
-llnl_gamma 4.5
log_k -2.1037
-delta_H -14.2256 kJ/mol # Calculated enthalpy of reaction TbCH3COO+2
# Enthalpy of formation: -286.4 kcal/mol
-analytic -1.6817e+001 6.4290e-004 -3.4442e+002 5.0994e+000 2.7304e+005
# -Range: 0-300
1.0000 Tb+++ + 1.0000 HCO3- = TbCO3+ +1.0000 H+
-llnl_gamma 4.0
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+002 5.4185e-002 -6.4127e+003 -8.9112e+001 -1.0013e+002
# -Range: 0-300
1.0000 Tb+++ + 1.0000 Cl- = TbCl++
-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+001 3.7367e-002 -1.4676e+003 -3.1140e+001 -2.2921e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Tb+++ = TbCl2+
-llnl_gamma 4.0
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+002 7.9609e-002 -5.0958e+003 -8.6337e+001 -7.9576e+001
# -Range: 0-300
3.0000 Cl- + 1.0000 Tb+++ = TbCl3
-llnl_gamma 3.0
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+002 1.2809e-001 -1.0704e+004 -1.6583e+002 -1.6715e+002
# -Range: 0-300
4.0000 Cl- + 1.0000 Tb+++ = TbCl4-
-llnl_gamma 4.0
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+002 1.2926e-001 -1.2117e+004 -1.8639e+002 -1.8921e+002
# -Range: 0-300
1.0000 Tb+++ + 1.0000 F- = TbF++
-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+001 4.1327e-002 -2.3647e+003 -3.7293e+001 -3.6927e+001
# -Range: 0-300
2.0000 F- + 1.0000 Tb+++ = TbF2+
-llnl_gamma 4.0
log_k +8.1510
-delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction TbF2+
# Enthalpy of formation: -324.3 kcal/mol
-analytic 2.3100e+002 8.4094e-002 -5.2548e+003 -9.3051e+001 -8.2065e+001
# -Range: 0-300
3.0000 F- + 1.0000 Tb+++ = TbF3
-llnl_gamma 3.0
log_k +10.6872
-delta_H -11.9244 kJ/mol # Calculated enthalpy of reaction TbF3
# Enthalpy of formation: -410.2 kcal/mol
-analytic 4.3730e+002 1.3479e-001 -1.0128e+004 -1.7489e+002 -1.5817e+002
# -Range: 0-300
4.0000 F- + 1.0000 Tb+++ = TbF4-
-llnl_gamma 4.0
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+002 1.3511e-001 -1.0189e+004 -1.9347e+002 -1.5913e+002
# -Range: 0-300
1.0000 Tb+++ + 1.0000 HPO4-- + 1.0000 H+ = TbH2PO4++
-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+002 6.2886e-002 6.0975e+002 -4.5178e+001 9.4847e+000
# -Range: 0-300
1.0000 Tb+++ + 1.0000 HCO3- = TbHCO3++
-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+001 2.8365e-002 1.6982e+003 -1.2044e+001 2.6494e+001
# -Range: 0-300
1.0000 Tb+++ + 1.0000 HPO4-- = TbHPO4+
-llnl_gamma 4.0
log_k +5.8000
-delta_H 0 # Not possible to calculate enthalpy of reaction TbHPO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 Tb+++ + 1.0000 NO3- = TbNO3++
-llnl_gamma 4.5
log_k +0.5080
-delta_H -31.2587 kJ/mol # Calculated enthalpy of reaction TbNO3+2
# Enthalpy of formation: -223.8 kcal/mol
-analytic 8.7852e+000 2.4868e-002 2.5553e+003 -9.7944e+000 3.9871e+001
# -Range: 0-300
1.0000 Tb+++ + 1.0000 H2O = TbO+ +2.0000 H+
-llnl_gamma 4.0
log_k -16.1904
-delta_H 109.692 kJ/mol # Calculated enthalpy of reaction TbO+
# Enthalpy of formation: -209 kcal/mol
-analytic 1.7975e+002 2.9563e-002 -1.3407e+004 -6.4573e+001 -2.0926e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Tb+++ = TbO2- +4.0000 H+
-llnl_gamma 4.0
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+002 1.1804e-002 -1.9821e+004 -5.6781e+001 -3.0933e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Tb+++ = TbO2H +3.0000 H+
-llnl_gamma 3.0
log_k -25.0508
-delta_H 219.802 kJ/mol # Calculated enthalpy of reaction TbO2H
# Enthalpy of formation: -251 kcal/mol
-analytic 3.2761e+002 4.5225e-002 -2.2652e+004 -1.1727e+002 -3.5356e+002
# -Range: 0-300
1.0000 Tb+++ + 1.0000 H2O = TbOH++ +1.0000 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+001 1.1625e-002 -5.8143e+003 -2.0759e+001 -9.0744e+001
# -Range: 0-300
1.0000 Tb+++ + 1.0000 HPO4-- = TbPO4 +1.0000 H+
-llnl_gamma 3.0
log_k +0.0782
-delta_H 0 # Not possible to calculate enthalpy of reaction TbPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 Tb+++ + 1.0000 SO4-- = TbSO4+
-llnl_gamma 4.0
log_k +3.6430
-delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction TbSO4+
# Enthalpy of formation: -379.6 kcal/mol
-analytic 2.9633e+002 8.5155e-002 -8.6346e+003 -1.1682e+002 -1.3482e+002
# -Range: 0-300
2.0000 H2O + 1.0000 TcO++ = TcO(OH)2 +2.0000 H+
-llnl_gamma 3.0
log_k -3.3221
-delta_H 0 # Not possible to calculate enthalpy of reaction TcO(OH)2
# Enthalpy of formation: -0 kcal/mol
1.0000 TcO++ + 1.0000 H2O = TcOOH+ +1.0000 H+
-llnl_gamma 4.0
log_k -1.1355
-delta_H 0 # Not possible to calculate enthalpy of reaction TcOOH+
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 2.0000 H+ + 1.0000 Th++++ = Th(H2PO4)2++
-llnl_gamma 4.5
log_k +23.2070
-delta_H 0 # Not possible to calculate enthalpy of reaction Th(H2PO4)2+2
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Th++++ = Th(HPO4)2
-llnl_gamma 3.0
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+002 2.3099e-001 -1.2990e+004 -2.6457e+002 -2.2082e+002
# -Range: 0-200
3.0000 HPO4-- + 1.0000 Th++++ = Th(HPO4)3--
-llnl_gamma 4.0
log_k +31.1894
-delta_H 0 # Not possible to calculate enthalpy of reaction Th(HPO4)3-2
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 Th++++ = Th(OH)2++ +2.0000 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+001 3.4195e-003 -3.7553e+002 3.1299e+000 -2.9696e+005
# -Range: 0-300
3.0000 H2O + 1.0000 Th++++ = Th(OH)3+ +3.0000 H+
-llnl_gamma 4.0
log_k -11.8623
-delta_H 86.1318 kJ/mol # Calculated enthalpy of reaction Th(OH)3+
# Enthalpy of formation: -368.165 kcal/mol
4.0000 H2O + 1.0000 Th++++ = Th(OH)4 +4.0000 H+
-llnl_gamma 3.0
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+001 1.5550e-002 -5.6680e+003 -1.2598e+001 -9.6262e+001
# -Range: 0-200
2.0000 SO4-- + 1.0000 Th++++ = Th(SO4)2
-llnl_gamma 3.0
log_k +9.6170
-delta_H 32.2377 kJ/mol # Calculated enthalpy of reaction Th(SO4)2
# Enthalpy of formation: -610.895 kcal/mol
-analytic 4.6425e+002 1.6769e-001 -1.1195e+004 -1.8875e+002 -1.9027e+002
# -Range: 0-200
3.0000 SO4-- + 1.0000 Th++++ = Th(SO4)3--
-llnl_gamma 4.0
log_k +10.4014
-delta_H 0 # Not possible to calculate enthalpy of reaction Th(SO4)3-2
# Enthalpy of formation: -0 kcal/mol
4.0000 SO4-- + 1.0000 Th++++ = Th(SO4)4----
-llnl_gamma 4.0
log_k +8.4003
-delta_H 0 # Not possible to calculate enthalpy of reaction Th(SO4)4-4
# Enthalpy of formation: -0 kcal/mol
2.0000 Th++++ + 2.0000 H2O = Th2(OH)2+6 +2.0000 H+
-llnl_gamma 6.0
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+001 -4.1348e-003 -6.4415e+003 -2.1200e+001 -1.0053e+002
# -Range: 0-300
8.0000 H2O + 4.0000 Th++++ = Th4(OH)8+8 +8.0000 H+
-llnl_gamma 6.0
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+002 -2.3504e-003 -2.4410e+004 -8.7873e+001 -3.8097e+002
# -Range: 0-300
15.0000 H2O + 6.0000 Th++++ = Th6(OH)15+9 +15.0000 H+
-llnl_gamma 6.0
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+002 3.3015e-003 -4.5237e+004 -1.6654e+002 -7.0603e+002
# -Range: 0-300
1.0000 Th++++ + 1.0000 Cl- = ThCl+++
-llnl_gamma 5.0
log_k +0.9536
-delta_H 0.06276 kJ/mol # Calculated enthalpy of reaction ThCl+3
# Enthalpy of formation: -223.718 kcal/mol
-analytic 9.7430e+001 3.9398e-002 -1.8653e+003 -4.1202e+001 -2.9135e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Th++++ = ThCl2++
-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
3.0000 Cl- + 1.0000 Th++++ = ThCl3+
-llnl_gamma 4.0
log_k +1.4975
-delta_H 0 # Not possible to calculate enthalpy of reaction ThCl3+
# Enthalpy of formation: -0 kcal/mol
4.0000 Cl- + 1.0000 Th++++ = ThCl4
-llnl_gamma 3.0
log_k +1.0731
-delta_H 0 # Not possible to calculate enthalpy of reaction ThCl4
# Enthalpy of formation: -0 kcal/mol
1.0000 Th++++ + 1.0000 F- = ThF+++
-llnl_gamma 5.0
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+002 3.9201e-002 -2.2118e+003 -4.5736e+001 -3.4548e+001
# -Range: 0-300
2.0000 F- + 1.0000 Th++++ = ThF2++
-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 2.3200e+002 7.9567e-002 -4.4418e+003 -9.1617e+001 -6.9379e+001
# -Range: 0-300
3.0000 F- + 1.0000 Th++++ = ThF3+
-llnl_gamma 4.0
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+002 1.2149e-001 -6.5065e+003 -1.3770e+002 -1.0163e+002
# -Range: 0-300
4.0000 F- + 1.0000 Th++++ = ThF4
-llnl_gamma 3.0
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+002 2.1878e-001 -1.1938e+004 -2.4857e+002 -2.0294e+002
# -Range: 0-200
1.0000 Th++++ + 1.0000 HPO4-- + 1.0000 H+ = ThH2PO4+++
-llnl_gamma 5.0
log_k +11.7061
-delta_H 0 # Not possible to calculate enthalpy of reaction ThH2PO4+3
# Enthalpy of formation: -0 kcal/mol
2.0000 H+ + 1.0000 Th++++ + 1.0000 HPO4-- = ThH3PO4++++
-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
1.0000 Th++++ + 1.0000 HPO4-- = ThHPO4++
-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
1.0000 Th++++ + 1.0000 H2O = ThOH+++ +1.0000 H+
-llnl_gamma 5.0
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+001 5.1532e-003 -8.6396e+002 -4.8420e+000 -9.2609e+004
# -Range: 0-300
1.0000 Th++++ + 1.0000 SO4-- = ThSO4++
-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+002 7.5245e-002 -4.5010e+003 -7.9379e+001 -7.0291e+001
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Tl+ = Tl(CH3COO)2- +2.0000 H+
-llnl_gamma 4.0
log_k -10.0129
-delta_H 1.2552 kJ/mol # Calculated enthalpy of reaction Tl(CH3COO)2-
# Enthalpy of formation: -230.62 kcal/mol
-analytic -1.8123e+002 -4.0616e-002 5.0741e+003 6.7216e+001 7.9229e+001
# -Range: 0-300
1.0000 Tl+ + 1.0000 CH3COOH = TlCH3COO +1.0000 H+
-llnl_gamma 3.0
log_k -4.8672
-delta_H 6.15048 kJ/mol # Calculated enthalpy of reaction TlCH3COO
# Enthalpy of formation: -113.35 kcal/mol
-analytic 9.2977e+000 -3.4368e-003 -2.1748e+003 -3.1454e+000 1.7273e+005
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Tm+++ = Tm(CH3COO)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -4.9844
-delta_H -32.5934 kJ/mol # Calculated enthalpy of reaction Tm(CH3COO)2+
# Enthalpy of formation: -408.49 kcal/mol
-analytic -2.8983e+001 2.0256e-003 -1.1525e+003 8.2163e+000 6.1820e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Tm+++ = Tm(CH3COO)3 +3.0000 H+
-llnl_gamma 3.0
log_k -8.3783
-delta_H -54.8104 kJ/mol # Calculated enthalpy of reaction Tm(CH3COO)3
# Enthalpy of formation: -529.9 kcal/mol
-analytic -2.8900e+001 4.9633e-003 -1.6574e+003 6.0186e+000 8.6624e+005
# -Range: 0-300
2.0000 HCO3- + 1.0000 Tm+++ = Tm(CO3)2- +2.0000 H+
-llnl_gamma 4.0
log_k -7.1576
-delta_H 0 # Not possible to calculate enthalpy of reaction Tm(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Tm+++ = Tm(HPO4)2-
-llnl_gamma 4.0
log_k +10.1000
-delta_H 0 # Not possible to calculate enthalpy of reaction Tm(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Tm+++ = Tm(PO4)2--- +2.0000 H+
-llnl_gamma 4.0
log_k -3.0437
-delta_H 0 # Not possible to calculate enthalpy of reaction Tm(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 Tm+++ = Tm(SO4)2-
-llnl_gamma 4.0
log_k +5.1000
-delta_H 0 # Not possible to calculate enthalpy of reaction Tm(SO4)2-
# Enthalpy of formation: -0 kcal/mol
1.0000 Tm+++ + 1.0000 CH3COOH = TmCH3COO++ +1.0000 H+
-llnl_gamma 4.5
log_k -2.1184
-delta_H -16.3176 kJ/mol # Calculated enthalpy of reaction TmCH3COO+2
# Enthalpy of formation: -288.5 kcal/mol
-analytic -1.6068e+001 1.2043e-003 -6.2777e+002 4.8318e+000 3.3363e+005
# -Range: 0-300
1.0000 Tm+++ + 1.0000 HCO3- = TmCO3+ +1.0000 H+
-llnl_gamma 4.0
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+002 5.4733e-002 -6.9382e+003 -9.4581e+001 -1.0833e+002
# -Range: 0-300
1.0000 Tm+++ + 1.0000 Cl- = TmCl++
-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+001 3.7655e-002 -1.5701e+003 -3.2531e+001 -2.4523e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Tm+++ = TmCl2+
-llnl_gamma 4.0
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+002 7.9173e-002 -4.8574e+003 -8.5202e+001 -7.5855e+001
# -Range: 0-300
3.0000 Cl- + 1.0000 Tm+++ = TmCl3
-llnl_gamma 3.0
log_k -0.4669
-delta_H 5.43502 kJ/mol # Calculated enthalpy of reaction TmCl3
# Enthalpy of formation: -287 kcal/mol
-analytic 3.9793e+002 1.2777e-001 -1.0070e+004 -1.6272e+002 -1.5725e+002
# -Range: 0-300
4.0000 Cl- + 1.0000 Tm+++ = TmCl4-
-llnl_gamma 4.0
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+002 1.2655e-001 -1.0713e+004 -1.7716e+002 -1.6730e+002
# -Range: 0-300
1.0000 Tm+++ + 1.0000 F- = TmF++
-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+001 4.1890e-002 -2.5909e+003 -3.9059e+001 -4.0457e+001
# -Range: 0-300
2.0000 F- + 1.0000 Tm+++ = TmF2+
-llnl_gamma 4.0
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+002 8.4119e-002 -5.2144e+003 -9.2558e+001 -8.1433e+001
# -Range: 0-300
3.0000 F- + 1.0000 Tm+++ = TmF3
-llnl_gamma 3.0
log_k +10.9804
-delta_H -12.7612 kJ/mol # Calculated enthalpy of reaction TmF3
# Enthalpy of formation: -412 kcal/mol
-analytic 4.2855e+002 1.3445e-001 -9.7045e+003 -1.7177e+002 -1.5156e+002
# -Range: 0-300
4.0000 F- + 1.0000 Tm+++ = TmF4-
-llnl_gamma 4.0
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+002 1.3386e-001 -9.1790e+003 -1.8650e+002 -1.4337e+002
# -Range: 0-300
1.0000 Tm+++ + 1.0000 HPO4-- + 1.0000 H+ = TmH2PO4++
-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 1.0360e+002 6.3085e-002 6.0731e+002 -4.6456e+001 9.4456e+000
# -Range: 0-300
1.0000 Tm+++ + 1.0000 HCO3- = TmHCO3++
-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+001 3.1010e-002 2.9880e+002 -1.6791e+001 4.6524e+000
# -Range: 0-300
1.0000 Tm+++ + 1.0000 HPO4-- = TmHPO4+
-llnl_gamma 4.0
log_k +5.9000
-delta_H 0 # Not possible to calculate enthalpy of reaction TmHPO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 Tm+++ + 1.0000 NO3- = TmNO3++
-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+001 2.4898e-002 2.5664e+003 -1.0861e+001 4.0043e+001
# -Range: 0-300
1.0000 Tm+++ + 1.0000 H2O = TmO+ +2.0000 H+
-llnl_gamma 4.0
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+002 2.8756e-002 -1.3096e+004 -6.3150e+001 -2.0441e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Tm+++ = TmO2- +4.0000 H+
-llnl_gamma 4.0
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+001 -5.2802e-003 -1.1318e+004 -8.4764e+000 -4.6998e+005
# -Range: 0-300
2.0000 H2O + 1.0000 Tm+++ = TmO2H +3.0000 H+
-llnl_gamma 3.0
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+002 4.4527e-002 -2.1821e+004 -1.1345e+002 -3.4059e+002
# -Range: 0-300
1.0000 Tm+++ + 1.0000 H2O = TmOH++ +1.0000 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+001 1.1162e-002 -5.6381e+003 -2.0074e+001 -8.7994e+001
# -Range: 0-300
1.0000 Tm+++ + 1.0000 HPO4-- = TmPO4 +1.0000 H+
-llnl_gamma 3.0
log_k +0.4782
-delta_H 0 # Not possible to calculate enthalpy of reaction TmPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 Tm+++ + 1.0000 SO4-- = TmSO4+
-llnl_gamma 4.0
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+002 8.6070e-002 -8.9592e+003 -1.1979e+002 -1.3989e+002
# -Range: 0-300
4.0000 HCO3- + 1.0000 U++++ = U(CO3)4---- +4.0000 H+
-llnl_gamma 4.0
log_k -6.2534
-delta_H 0 # Not possible to calculate enthalpy of reaction U(CO3)4-4
# Enthalpy of formation: -0 kcal/mol
5.0000 HCO3- + 1.0000 U++++ = U(CO3)5-6 +5.0000 H+
-llnl_gamma 4.0
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 6.3020e+002 1.9391e-001 -1.9238e+004 -2.5912e+002 -3.0038e+002
# -Range: 0-300
2.0000 NO3- + 1.0000 U++++ = U(NO3)2++
-llnl_gamma 4.5
log_k +2.2610
-delta_H 0 # Not possible to calculate enthalpy of reaction U(NO3)2+2
# Enthalpy of formation: -0 kcal/mol
4.0000 H2O + 1.0000 U++++ = U(OH)4 +4.0000 H+
-llnl_gamma 3.0
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+002 9.8204e-002 -9.4428e+003 -1.0871e+002 -1.6045e+002
# -Range: 0-200
2.0000 Thiocyanate- + 1.0000 U++++ = U(Thiocyanate)2++
-llnl_gamma 4.5
log_k +4.2600
-delta_H 0 # Not possible to calculate enthalpy of reaction U(Thiocyanate)2+2
# Enthalpy of formation: -456.4 kJ/mol
-analytic 6.2193e+000 2.7673e-002 2.4326e+003 -7.4158e+000 3.7957e+001
# -Range: 0-300
2.0000 SO4-- + 1.0000 U++++ = U(SO4)2
-llnl_gamma 3.0
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+002 1.7832e-001 -1.1901e+004 -2.0111e+002 -2.0227e+002
# -Range: 0-200
1.0000 U++++ + 1.0000 Br- = UBr+++
-llnl_gamma 5.0
log_k +1.4240
-delta_H 0 # Not possible to calculate enthalpy of reaction UBr+3
# Enthalpy of formation: -0 kcal/mol
1.0000 U++++ + 1.0000 Cl- = UCl+++
-llnl_gamma 5.0
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+001 4.1718e-002 -7.0675e+002 -4.1532e+001 -1.1056e+001
# -Range: 0-300
1.0000 U++++ + 1.0000 F- = UF+++
-llnl_gamma 5.0
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+002 3.8097e-002 -2.2531e+003 -4.5594e+001 -3.5193e+001
# -Range: 0-300
2.0000 F- + 1.0000 U++++ = UF2++
-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+002 7.7064e-002 -4.8455e+003 -9.1296e+001 -7.5679e+001
# -Range: 0-300
3.0000 F- + 1.0000 U++++ = UF3+
-llnl_gamma 4.0
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+002 1.1714e-001 -7.4569e+003 -1.3714e+002 -1.1646e+002
# -Range: 0-300
4.0000 F- + 1.0000 U++++ = UF4
-llnl_gamma 3.0
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+002 2.7922e-001 -1.6213e+004 -3.1881e+002 -2.7559e+002
# -Range: 0-200
5.0000 F- + 1.0000 U++++ = UF5-
-llnl_gamma 4.0
log_k +26.8110
-delta_H 0 # Not possible to calculate enthalpy of reaction UF5-
# Enthalpy of formation: -0 kcal/mol
6.0000 F- + 1.0000 U++++ = UF6--
-llnl_gamma 4.0
log_k +28.8412
-delta_H 0 # Not possible to calculate enthalpy of reaction UF6-2
# Enthalpy of formation: -0 kcal/mol
1.0000 U++++ + 1.0000 I- = UI+++
-llnl_gamma 5.0
log_k +1.2151
-delta_H 0 # Not possible to calculate enthalpy of reaction UI+3
# Enthalpy of formation: -0 kcal/mol
1.0000 U++++ + 1.0000 NO3- = UNO3+++
-llnl_gamma 5.0
log_k +1.4506
-delta_H 0 # Not possible to calculate enthalpy of reaction UNO3+3
# Enthalpy of formation: -0 kcal/mol
2.0000 HCO3- + 1.0000 UO2++ = UO2(CO3)2-- +2.0000 H+
-llnl_gamma 4.0
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+002 8.1552e-002 -9.0918e+003 -1.0638e+002 -1.4195e+002
# -Range: 0-300
3.0000 HCO3- + 1.0000 UO2+ = UO2(CO3)3-5 +3.0000 H+
-llnl_gamma 4.0
log_k -23.6241
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(CO3)3-5
# Enthalpy of formation: -0 kcal/mol
3.0000 HCO3- + 1.0000 UO2++ = UO2(CO3)3---- +3.0000 H+
-llnl_gamma 4.0
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+002 1.1789e-001 -1.0233e+004 -1.5738e+002 -1.5978e+002
# -Range: 0-300
3.0000 H+ + 2.0000 HPO4-- + 1.0000 UO2++ = UO2(H2PO4)(H3PO4)+
-llnl_gamma 4.0
log_k +22.7537
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(H2PO4)(H3PO4)+
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 2.0000 H+ + 1.0000 UO2++ = UO2(H2PO4)2
-llnl_gamma 3.0
log_k +21.7437
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(H2PO4)2
# Enthalpy of formation: -0 kcal/mol
2.0000 IO3- + 1.0000 UO2++ = UO2(IO3)2
-llnl_gamma 3.0
log_k +2.9969
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(IO3)2
# Enthalpy of formation: -0 kcal/mol
2.0000 N3- + 1.0000 UO2++ = UO2(N3)2
-llnl_gamma 3.0
log_k +4.3301
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)2
# Enthalpy of formation: -0 kcal/mol
3.0000 N3- + 1.0000 UO2++ = UO2(N3)3-
-llnl_gamma 4.0
log_k +5.7401
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)3-
# Enthalpy of formation: -0 kcal/mol
4.0000 N3- + 1.0000 UO2++ = UO2(N3)4--
-llnl_gamma 4.0
log_k +4.9200
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)4-2
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 UO2++ = UO2(OH)2 +2.0000 H+
-llnl_gamma 3.0
log_k -10.3146
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)2
# Enthalpy of formation: -0 kcal/mol
3.0000 H2O + 1.0000 UO2++ = UO2(OH)3- +3.0000 H+
-llnl_gamma 4.0
log_k -19.2218
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)3-
# Enthalpy of formation: -0 kcal/mol
4.0000 H2O + 1.0000 UO2++ = UO2(OH)4-- +4.0000 H+
-llnl_gamma 4.0
log_k -33.0291
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)4-2
# Enthalpy of formation: -0 kcal/mol
2.0000 Thiocyanate- + 1.0000 UO2++ = UO2(Thiocyanate)2
-llnl_gamma 3.0
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+001 3.2840e-002 -2.4849e+003 -3.8162e+001 -4.2231e+001
# -Range: 0-200
3.0000 Thiocyanate- + 1.0000 UO2++ = UO2(Thiocyanate)3-
-llnl_gamma 4.0
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+001 2.2714e-002 4.9707e+002 -9.2785e+000 7.7512e+000
# -Range: 0-300
2.0000 SO3-- + 1.0000 UO2++ = UO2(SO3)2--
-llnl_gamma 4.0
log_k +7.9101
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2(SO3)2-2
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 UO2++ = UO2(SO4)2--
-llnl_gamma 4.0
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+002 1.3536e-001 -1.0813e+004 -1.6130e+002 -1.6884e+002
# -Range: 0-300
1.0000 UO2++ + 1.0000 Br- = UO2Br+
-llnl_gamma 4.0
log_k +0.1840
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2Br+
# Enthalpy of formation: -0 kcal/mol
1.0000 UO2++ + 1.0000 BrO3- = UO2BrO3+
-llnl_gamma 4.0
log_k +0.5510
-delta_H 0.46952 kJ/mol # Calculated enthalpy of reaction UO2BrO3+
# Enthalpy of formation: -1085.6 kJ/mol
-analytic 8.2618e+001 2.6921e-002 -2.0144e+003 -3.3673e+001 -3.1457e+001
# -Range: 0-300
1.0000 UO2++ + 1.0000 HCO3- = UO2CO3 +1.0000 H+
-llnl_gamma 3.0
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+001 2.8127e-002 -2.4347e+003 -3.0217e+001 -4.1371e+001
# -Range: 0-200
1.0000 UO2++ + 1.0000 Cl- = UO2Cl+
-llnl_gamma 4.0
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+001 3.8869e-002 -2.3178e+003 -4.1133e+001 -3.6196e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 UO2++ = UO2Cl2
-llnl_gamma 3.0
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+001 1.3840e-002 -1.3664e+003 -1.4043e+001 -2.3216e+001
# -Range: 0-200
1.0000 UO2++ + 1.0000 ClO3- = UO2ClO3+
-llnl_gamma 4.0
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+001 2.8926e-002 -2.3068e+003 -3.9057e+001 -3.6025e+001
# -Range: 0-300
1.0000 UO2++ + 1.0000 F- = UO2F+
-llnl_gamma 4.0
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+002 4.0682e-002 -2.4467e+003 -4.5914e+001 -3.8212e+001
# -Range: 0-300
2.0000 F- + 1.0000 UO2++ = UO2F2
-llnl_gamma 3.0
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+002 9.9190e-002 -5.8371e+003 -1.1242e+002 -9.9219e+001
# -Range: 0-200
3.0000 F- + 1.0000 UO2++ = UO2F3-
-llnl_gamma 4.0
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+002 9.2160e-002 -8.7975e+003 -1.2972e+002 -1.3738e+002
# -Range: 0-300
4.0000 F- + 1.0000 UO2++ = UO2F4--
-llnl_gamma 4.0
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+002 1.3808e-001 -1.0705e+004 -1.7657e+002 -1.6718e+002
# -Range: 0-300
1.0000 UO2++ + 1.0000 HPO4-- + 1.0000 H+ = UO2H2PO4+
-llnl_gamma 4.0
log_k +11.6719
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2H2PO4+
# Enthalpy of formation: -0 kcal/mol
2.0000 H+ + 1.0000 UO2++ + 1.0000 HPO4-- = UO2H3PO4++
-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
1.0000 UO2++ + 1.0000 HPO4-- = UO2HPO4
-llnl_gamma 3.0
log_k +8.4398
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2HPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 UO2++ + 1.0000 IO3- = UO2IO3+
-llnl_gamma 4.0
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+002 2.9620e-002 -3.2441e+003 -4.0618e+001 -5.0651e+001
# -Range: 0-300
1.0000 UO2++ + 1.0000 N3- = UO2N3+
-llnl_gamma 4.0
log_k +2.5799
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2N3+
# Enthalpy of formation: -0 kcal/mol
1.0000 UO2++ + 1.0000 NO3- = UO2NO3+
-llnl_gamma 4.0
log_k +0.2805
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2NO3+
# Enthalpy of formation: -0 kcal/mol
1.0000 UO2++ + 1.0000 H2O = UO2OH+ +1.0000 H+
-llnl_gamma 4.0
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+001 6.0811e-003 -3.3068e+003 -1.2252e+001 -5.1609e+001
# -Range: 0-300
1.0000 UO2++ + 1.0000 HPO4-- = UO2PO4- +1.0000 H+
-llnl_gamma 4.0
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-- + UO2++ = UO2S2O3
-llnl_gamma 3.0
# 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
1.0000 UO2++ + 1.0000 Thiocyanate- = UO2Thiocyanate+
-llnl_gamma 4.0
log_k +1.4000
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2Thiocyanate+
# Enthalpy of formation: -939.38 kJ/mol
-analytic 4.7033e+000 1.2562e-002 4.9095e+002 -3.5097e+000 7.6593e+000
# -Range: 0-300
1.0000 UO2++ + 1.0000 SO3-- = UO2SO3
-llnl_gamma 3.0
log_k +6.7532
-delta_H 0 # Not possible to calculate enthalpy of reaction UO2SO3
# Enthalpy of formation: -0 kcal/mol
1.0000 UO2++ + 1.0000 SO4-- = UO2SO4
-llnl_gamma 3.0
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+002 7.0951e-002 -4.9949e+003 -7.9394e+001 -8.4888e+001
# -Range: 0-200
1.0000 U++++ + 1.0000 H2O = UOH+++ +1.0000 H+
-llnl_gamma 5.0
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+001 1.3563e-003 -3.8441e+003 -1.1659e+001 -5.9996e+001
# -Range: 0-300
1.0000 U++++ + 1.0000 Thiocyanate- = UThiocyanate+++
-llnl_gamma 5.0
log_k +2.9700
-delta_H 0 # Not possible to calculate enthalpy of reaction UThiocyanate+3
# Enthalpy of formation: -541.8 kJ/mol
-analytic 4.0286e-001 1.5909e-002 2.3026e+003 -3.9973e+000 3.5929e+001
# -Range: 0-300
1.0000 U++++ + 1.0000 SO4-- = USO4++
-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+002 7.5458e-002 -4.0646e+003 -7.9416e+001 -6.3482e+001
# -Range: 0-300
2.0000 H2O + 1.0000 V+++ = V(OH)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -5.9193
-delta_H 0 # Not possible to calculate enthalpy of reaction V(OH)2+
# Enthalpy of formation: -0 kcal/mol
2.0000 V+++ + 2.0000 H2O = V2(OH)2++++ +2.0000 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
2.0000 H2O + 1.0000 VO2+ = VO(OH)3 +1.0000 H+
-llnl_gamma 3.0
log_k -3.3
-delta_H 0 # Not possible to calculate enthalpy of reaction VO(OH)3
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 VO2+ = VO2(HPO4)2---
-llnl_gamma 4.0
log_k +8.6000
-delta_H 0 # Not possible to calculate enthalpy of reaction VO2(HPO4)2-3
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 VO2+ = VO2(OH)2- +2.0000 H+
-llnl_gamma 4.0
log_k -7.3
-delta_H 0 # Not possible to calculate enthalpy of reaction VO2(OH)2-
# Enthalpy of formation: -0 kcal/mol
1.0000 VO2+ + 1.0000 F- = VO2F
-llnl_gamma 3.0
log_k +3.3500
-delta_H 0 # Not possible to calculate enthalpy of reaction VO2F
# Enthalpy of formation: -0 kcal/mol
2.0000 F- + 1.0000 VO2+ = VO2F2-
-llnl_gamma 4.0
log_k +5.8100
-delta_H 0 # Not possible to calculate enthalpy of reaction VO2F2-
# Enthalpy of formation: -0 kcal/mol
1.0000 VO2+ + 1.0000 HPO4-- + 1.0000 H+ = VO2H2PO4
-llnl_gamma 3.0
log_k +1.6800
-delta_H 0 # Not possible to calculate enthalpy of reaction VO2H2PO4
# Enthalpy of formation: -0 kcal/mol
1.0000 VO2+ + 1.0000 HPO4-- = VO2HPO4-
-llnl_gamma 4.0
log_k +5.8300
-delta_H 0 # Not possible to calculate enthalpy of reaction VO2HPO4-
# Enthalpy of formation: -0 kcal/mol
1.0000 VO2+ + 1.0000 SO4-- = VO2SO4-
-llnl_gamma 4.0
log_k +1.5800
-delta_H 0 # Not possible to calculate enthalpy of reaction VO2SO4-
# Enthalpy of formation: -0 kcal/mol
1.0000 VO4--- + 1.0000 H+ = VO3OH--
-llnl_gamma 4.0
log_k +14.2600
-delta_H 0 # Not possible to calculate enthalpy of reaction VO3OH-2
# Enthalpy of formation: -0 kcal/mol
1.0000 VO++ + 1.0000 F- = VOF+
-llnl_gamma 4.0
log_k +4.0000
-delta_H 0 # Not possible to calculate enthalpy of reaction VOF+
# Enthalpy of formation: -0 kcal/mol
2.0000 F- + 1.0000 VO++ = VOF2
-llnl_gamma 3.0
log_k +6.7800
-delta_H 0 # Not possible to calculate enthalpy of reaction VOF2
# Enthalpy of formation: -0 kcal/mol
1.0000 V+++ + 1.0000 H2O = VOH++ +1.0000 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
1.0000 VO++ + 1.0000 H2O = VOOH+ +1.0000 H+
-llnl_gamma 4.0
log_k -5.67
-delta_H 0 # Not possible to calculate enthalpy of reaction VOOH+
# Enthalpy of formation: -0 kcal/mol
1.0000 VO++ + 1.0000 SO4-- = VOSO4
-llnl_gamma 3.0
log_k +2.4800
-delta_H 0 # Not possible to calculate enthalpy of reaction VOSO4
# Enthalpy of formation: -0 kcal/mol
1.0000 V+++ + 1.0000 SO4-- = VSO4+
-llnl_gamma 4.0
log_k +3.3300
-delta_H 0 # Not possible to calculate enthalpy of reaction VSO4+
# Enthalpy of formation: -0 kcal/mol
2.0000 CH3COOH + 1.0000 Y+++ = Y(CH3COO)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -4.9844
-delta_H -34.8109 kJ/mol # Calculated enthalpy of reaction Y(CH3COO)2+
# Enthalpy of formation: -411.42 kcal/mol
-analytic -3.3011e+001 6.1979e-004 -7.7468e+002 9.6380e+000 5.8814e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Y+++ = Y(CH3COO)3 +3.0000 H+
-llnl_gamma 3.0
log_k -8.3783
-delta_H -58.4505 kJ/mol # Calculated enthalpy of reaction Y(CH3COO)3
# Enthalpy of formation: -533.17 kcal/mol
-analytic -3.0086e+001 4.0213e-003 -1.1444e+003 6.1794e+000 8.0827e+005
# -Range: 0-300
2.0000 HCO3- + 1.0000 Y+++ = Y(CO3)2- +2.0000 H+
-llnl_gamma 4.0
log_k -7.3576
-delta_H 0 # Not possible to calculate enthalpy of reaction Y(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Y+++ = Y(HPO4)2-
-llnl_gamma 4.0
log_k +9.9000
-delta_H 0 # Not possible to calculate enthalpy of reaction Y(HPO4)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 H2O + 1.0000 Y+++ = Y(OH)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -16.3902
-delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)2+
# Enthalpy of formation: -0 kcal/mol
3.0000 H2O + 1.0000 Y+++ = Y(OH)3 +3.0000 H+
-llnl_gamma 3.0
log_k -25.9852
-delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)3
# Enthalpy of formation: -0 kcal/mol
4.0000 H2O + 1.0000 Y+++ = Y(OH)4- +4.0000 H+
-llnl_gamma 4.0
log_k -36.4803
-delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)4-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Y+++ = Y(PO4)2--- +2.0000 H+
-llnl_gamma 4.0
log_k -3.2437
-delta_H 0 # Not possible to calculate enthalpy of reaction Y(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 Y+++ = Y(SO4)2-
-llnl_gamma 4.0
log_k +4.9000
-delta_H 0 # Not possible to calculate enthalpy of reaction Y(SO4)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 Y+++ + 2.0000 H2O = Y2(OH)2++++ +2.0000 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
1.0000 Y+++ + 1.0000 CH3COOH = YCH3COO++ +1.0000 H+
-llnl_gamma 4.5
log_k -2.1184
-delta_H -17.2799 kJ/mol # Calculated enthalpy of reaction YCH3COO+2
# Enthalpy of formation: -291.13 kcal/mol
-analytic -1.2080e+001 1.2015e-003 -8.4186e+002 3.4522e+000 3.4647e+005
# -Range: 0-300
1.0000 Y+++ + 1.0000 HCO3- = YCO3+ +1.0000 H+
-llnl_gamma 4.0
log_k -2.2788
-delta_H 0 # Not possible to calculate enthalpy of reaction YCO3+
# Enthalpy of formation: -0 kcal/mol
1.0000 Y+++ + 1.0000 Cl- = YCl++
-llnl_gamma 4.5
log_k +0.3000
-delta_H 0 # Not possible to calculate enthalpy of reaction YCl+2
# Enthalpy of formation: -0 kcal/mol
1.0000 Y+++ + 1.0000 F- = YF++
-llnl_gamma 4.5
log_k +4.3000
-delta_H 0 # Not possible to calculate enthalpy of reaction YF+2
# Enthalpy of formation: -0 kcal/mol
2.0000 F- + 1.0000 Y+++ = YF2+
-llnl_gamma 4.0
log_k +7.8000
-delta_H 0 # Not possible to calculate enthalpy of reaction YF2+
# Enthalpy of formation: -0 kcal/mol
3.0000 F- + 1.0000 Y+++ = YF3
-llnl_gamma 3.0
log_k +11.2000
-delta_H 0 # Not possible to calculate enthalpy of reaction YF3
# Enthalpy of formation: -0 kcal/mol
1.0000 Y+++ + 1.0000 HPO4-- + 1.0000 H+ = YH2PO4++
-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
1.0000 Y+++ + 1.0000 HCO3- = YHCO3++
-llnl_gamma 4.5
log_k +2.3000
-delta_H 0 # Not possible to calculate enthalpy of reaction YHCO3+2
# Enthalpy of formation: -0 kcal/mol
1.0000 Y+++ + 1.0000 HPO4-- = YHPO4+
-llnl_gamma 4.0
log_k +5.9000
-delta_H 0 # Not possible to calculate enthalpy of reaction YHPO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 Y+++ + 1.0000 NO3- = YNO3++
-llnl_gamma 4.5
log_k +0.4000
-delta_H 0 # Not possible to calculate enthalpy of reaction YNO3+2
# Enthalpy of formation: -0 kcal/mol
1.0000 Y+++ + 1.0000 H2O = YOH++ +1.0000 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
1.0000 Y+++ + 1.0000 HPO4-- = YPO4 +1.0000 H+
-llnl_gamma 3.0
log_k +0.2782
-delta_H 0 # Not possible to calculate enthalpy of reaction YPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 Y+++ + 1.0000 SO4-- = YSO4+
-llnl_gamma 4.0
log_k +3.4000
-delta_H 0 # Not possible to calculate enthalpy of reaction YSO4+
# Enthalpy of formation: -0 kcal/mol
2.0000 CH3COOH + 1.0000 Yb+++ = Yb(CH3COO)2+ +2.0000 H+
-llnl_gamma 4.0
log_k -5.131
-delta_H -30.334 kJ/mol # Calculated enthalpy of reaction Yb(CH3COO)2+
# Enthalpy of formation: -399.75 kcal/mol
-analytic -3.4286e+001 9.4069e-004 -6.5120e+002 1.0071e+001 5.4773e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Yb+++ = Yb(CH3COO)3 +3.0000 H+
-llnl_gamma 3.0
log_k -8.5688
-delta_H -51.4214 kJ/mol # Calculated enthalpy of reaction Yb(CH3COO)3
# Enthalpy of formation: -520.89 kcal/mol
-analytic -6.2211e+001 -6.1589e-004 5.9577e+002 1.7954e+001 6.6116e+005
# -Range: 0-300
2.0000 HCO3- + 1.0000 Yb+++ = Yb(CO3)2- +2.0000 H+
-llnl_gamma 4.0
log_k -7.0576
-delta_H 0 # Not possible to calculate enthalpy of reaction Yb(CO3)2-
# Enthalpy of formation: -0 kcal/mol
2.0000 HPO4-- + 1.0000 Yb+++ = Yb(HPO4)2-
-llnl_gamma 4.0
log_k +10.2000
-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
2.0000 HPO4-- + 1.0000 Yb+++ = Yb(PO4)2--- +2.0000 H+
-llnl_gamma 4.0
log_k -2.7437
-delta_H 0 # Not possible to calculate enthalpy of reaction Yb(PO4)2-3
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 Yb+++ = Yb(SO4)2-
-llnl_gamma 4.0
log_k +5.1000
-delta_H 0 # Not possible to calculate enthalpy of reaction Yb(SO4)2-
# Enthalpy of formation: -0 kcal/mol
1.0000 Yb+++ + 1.0000 CH3COOH = YbCH3COO++ +1.0000 H+
-llnl_gamma 4.5
log_k -2.199
-delta_H -15.2298 kJ/mol # Calculated enthalpy of reaction YbCH3COO+2
# Enthalpy of formation: -280.04 kcal/mol
-analytic -8.5003e+000 2.2459e-003 -9.6434e+002 2.0630e+000 3.3550e+005
# -Range: 0-300
1.0000 Yb+++ + 1.0000 HCO3- = YbCO3+ +1.0000 H+
-llnl_gamma 4.0
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+002 5.4436e-002 -6.7871e+003 -9.3280e+001 -1.0598e+002
# -Range: 0-300
1.0000 Yb+++ + 1.0000 Cl- = YbCl++
-llnl_gamma 4.5
log_k +0.1620
-delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction YbCl+2
# Enthalpy of formation: -196.9 kcal/mol
-analytic 8.0452e+001 3.8343e-002 -1.8176e+003 -3.4594e+001 -2.8386e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Yb+++ = YbCl2+
-llnl_gamma 4.0
log_k -0.2624
-delta_H 17.4305 kJ/mol # Calculated enthalpy of reaction YbCl2+
# Enthalpy of formation: -236 kcal/mol
-analytic 2.1708e+002 8.0550e-002 -5.4744e+003 -9.0101e+001 -8.5487e+001
# -Range: 0-300
3.0000 Cl- + 1.0000 Yb+++ = YbCl3
-llnl_gamma 3.0
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+002 1.2992e-001 -1.0578e+004 -1.6684e+002 -1.6518e+002
# -Range: 0-300
4.0000 Cl- + 1.0000 Yb+++ = YbCl4-
-llnl_gamma 4.0
log_k -1.1845
-delta_H -15.7653 kJ/mol # Calculated enthalpy of reaction YbCl4-
# Enthalpy of formation: -323.8 kcal/mol
-analytic 4.7560e+002 1.3032e-001 -1.2452e+004 -1.9149e+002 -1.9444e+002
# -Range: 0-300
1.0000 Yb+++ + 1.0000 F- = YbF++
-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+002 4.2493e-002 -2.7637e+003 -4.1008e+001 -4.3156e+001
# -Range: 0-300
2.0000 F- + 1.0000 Yb+++ = YbF2+
-llnl_gamma 4.0
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+002 8.5385e-002 -5.6900e+003 -9.7299e+001 -8.8859e+001
# -Range: 0-300
3.0000 F- + 1.0000 Yb+++ = YbF3
-llnl_gamma 3.0
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+002 1.3659e-001 -1.0595e+004 -1.8038e+002 -1.6546e+002
# -Range: 0-300
4.0000 F- + 1.0000 Yb+++ = YbF4-
-llnl_gamma 4.0
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+002 1.3726e-001 -1.0671e+004 -2.0026e+002 -1.6666e+002
# -Range: 0-300
1.0000 Yb+++ + 1.0000 HPO4-- + 1.0000 H+ = YbH2PO4++
-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+002 6.3749e-002 3.8909e+002 -4.8469e+001 6.0389e+000
# -Range: 0-300
1.0000 Yb+++ + 1.0000 HCO3- = YbHCO3++
-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+001 3.1796e-002 6.9728e+001 -1.9002e+001 1.0762e+000
# -Range: 0-300
1.0000 Yb+++ + 1.0000 HPO4-- = YbHPO4+
-llnl_gamma 4.0
log_k +6.0000
-delta_H 0 # Not possible to calculate enthalpy of reaction YbHPO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 Yb+++ + 1.0000 NO3- = YbNO3++
-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+001 2.5684e-002 2.2806e+003 -1.3055e+001 3.5581e+001
# -Range: 0-300
1.0000 Yb+++ + 1.0000 H2O = YbO+ +2.0000 H+
-llnl_gamma 4.0
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+002 2.9078e-002 -1.3106e+004 -6.3534e+001 -2.0456e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Yb+++ = YbO2- +4.0000 H+
-llnl_gamma 4.0
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+002 1.0053e-002 -1.8749e+004 -5.1764e+001 -2.9260e+002
# -Range: 0-300
2.0000 H2O + 1.0000 Yb+++ = YbO2H +3.0000 H+
-llnl_gamma 3.0
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+002 4.4821e-002 -2.1971e+004 -1.1519e+002 -3.4293e+002
# -Range: 0-300
1.0000 Yb+++ + 1.0000 H2O = YbOH++ +1.0000 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+001 1.1402e-002 -5.6488e+003 -2.0289e+001 -8.8160e+001
# -Range: 0-300
1.0000 Yb+++ + 1.0000 HPO4-- = YbPO4 +1.0000 H+
-llnl_gamma 3.0
log_k +0.5782
-delta_H 0 # Not possible to calculate enthalpy of reaction YbPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 Yb+++ + 1.0000 SO4-- = YbSO4+
-llnl_gamma 4.0
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+002 8.6527e-002 -9.0298e+003 -1.2069e+002 -1.4099e+002
# -Range: 0-300
2.0000 CH3COOH + 1.0000 Zn++ = Zn(CH3COO)2 +2.0000 H+
-llnl_gamma 3.0
log_k -6.062
-delta_H -11.0458 kJ/mol # Calculated enthalpy of reaction Zn(CH3COO)2
# Enthalpy of formation: -271.5 kcal/mol
-analytic -2.2038e+001 2.6133e-003 -2.7652e+003 6.8501e+000 6.7086e+005
# -Range: 0-300
3.0000 CH3COOH + 1.0000 Zn++ = Zn(CH3COO)3- +3.0000 H+
-llnl_gamma 4.0
log_k -10.0715
-delta_H 25.355 kJ/mol # Calculated enthalpy of reaction Zn(CH3COO)3-
# Enthalpy of formation: -378.9 kcal/mol
-analytic 3.5104e+001 -6.1568e-003 -1.3379e+004 -8.7697e+000 2.0670e+006
# -Range: 0-300
4.0000 Cyanide- + 1.0000 Zn++ = Zn(Cyanide)4--
-llnl_gamma 4.0
log_k +16.7040
-delta_H -107.305 kJ/mol # Calculated enthalpy of reaction Zn(Cyanide)4-2
# Enthalpy of formation: 341.806 kJ/mol
-analytic 3.6586e+002 1.2655e-001 -2.9546e+003 -1.5232e+002 -4.6213e+001
# -Range: 0-300
2.0000 N3- + 1.0000 Zn++ = Zn(N3)2
-llnl_gamma 3.0
log_k +1.1954
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(N3)2
# Enthalpy of formation: -0 kcal/mol
1.0000 Zn++ + 1.0000 NH3 = Zn(NH3)++
-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
2.0000 NH3 + 1.0000 Zn++ = Zn(NH3)2++
-llnl_gamma 4.5
log_k +4.2590
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)2+2
# Enthalpy of formation: -0 kcal/mol
3.0000 NH3 + 1.0000 Zn++ = Zn(NH3)3++
-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
4.0000 NH3 + 1.0000 Zn++ = Zn(NH3)4++
-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+002 -6.3376e-003 -4.6783e+003 -5.3560e+001 -7.3047e+001
# -Range: 0-300
2.0000 H2O + 1.0000 Zn++ = Zn(OH)2 +2.0000 H+
-llnl_gamma 3.0
log_k -17.3282
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)2
# Enthalpy of formation: -0 kcal/mol
3.0000 H2O + 1.0000 Zn++ = Zn(OH)3- +3.0000 H+
-llnl_gamma 4.0
log_k -28.8369
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)3-
# Enthalpy of formation: -0 kcal/mol
4.0000 H2O + 1.0000 Zn++ = Zn(OH)4-- +4.0000 H+
-llnl_gamma 4.0
log_k -41.6052
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)4-2
# Enthalpy of formation: -0 kcal/mol
1.0000 Zn++ + 1.0000 H2O + 1.0000 Cl- = Zn(OH)Cl +1.0000 H+
-llnl_gamma 3.0
log_k -7.5417
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)Cl
# Enthalpy of formation: -0 kcal/mol
2.0000 Thiocyanate- + 1.0000 Zn++ = Zn(Thiocyanate)2
-llnl_gamma 3.0
log_k +0.8800
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(Thiocyanate)2
# Enthalpy of formation: -0 kcal/mol
4.0000 Thiocyanate- + 1.0000 Zn++ = Zn(Thiocyanate)4--
-llnl_gamma 4.0
log_k +1.2479
-delta_H 0 # Not possible to calculate enthalpy of reaction Zn(Thiocyanate)4-2
# Enthalpy of formation: -0 kcal/mol
1.0000 Zn++ + 1.0000 Br- = ZnBr+
-llnl_gamma 4.0
log_k -0.6365
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr+
# Enthalpy of formation: -0 kcal/mol
2.0000 Br- + 1.0000 Zn++ = ZnBr2
-llnl_gamma 3.0
log_k -1.0492
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr2
# Enthalpy of formation: -0 kcal/mol
3.0000 Br- + 1.0000 Zn++ = ZnBr3-
-llnl_gamma 4.0
log_k -1.8474
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr3-
# Enthalpy of formation: -0 kcal/mol
1.0000 Zn++ + 1.0000 CH3COOH = ZnCH3COO+ +1.0000 H+
-llnl_gamma 4.0
log_k -3.1519
-delta_H -9.87424 kJ/mol # Calculated enthalpy of reaction ZnCH3COO+
# Enthalpy of formation: -155.12 kcal/mol
-analytic -7.9367e+000 2.8564e-003 -1.4514e+003 2.5010e+000 2.3343e+005
# -Range: 0-300
1.0000 Zn++ + 1.0000 HCO3- = ZnCO3 +1.0000 H+
-llnl_gamma 3.0
log_k -6.4288
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnCO3
# Enthalpy of formation: -0 kcal/mol
1.0000 Zn++ + 1.0000 Cl- = ZnCl+
-llnl_gamma 4.0
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+002 4.4461e-002 -4.1662e+003 -4.5023e+001 -6.5042e+001
# -Range: 0-300
2.0000 Cl- + 1.0000 Zn++ = ZnCl2
-llnl_gamma 3.0
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+002 7.5733e-002 -4.6251e+003 -7.4770e+001 -7.2224e+001
# -Range: 0-300
3.0000 Cl- + 1.0000 Zn++ = ZnCl3-
-llnl_gamma 4.0
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+002 7.4712e-002 -2.1527e+003 -6.2200e+001 -3.3633e+001
# -Range: 0-300
4.0000 Cl- + 1.0000 Zn++ = ZnCl4--
-llnl_gamma 4.0
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+001 7.0021e-002 3.9150e+002 -4.2664e+001 6.0834e+000
# -Range: 0-300
1.0000 Zn++ + 1.0000 ClO4- = ZnClO4+
-llnl_gamma 4.0
log_k +1.2768
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnClO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 Zn++ + 1.0000 F- = ZnF+
-llnl_gamma 4.0
log_k +1.1500
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnF+
# Enthalpy of formation: -0 kcal/mol
1.0000 Zn++ + 1.0000 HPO4-- + 1.0000 H+ = ZnH2PO4+
-llnl_gamma 4.0
log_k +0.4300
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnH2PO4+
# Enthalpy of formation: -0 kcal/mol
1.0000 Zn++ + 1.0000 HCO3- = ZnHCO3+
-llnl_gamma 4.0
log_k +1.4200
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnHCO3+
# Enthalpy of formation: -0 kcal/mol
-analytic 5.1115e+002 1.2911e-001 -1.5292e+004 -2.0083e+002 -2.2721e+002
# -Range: 25-300
1.0000 Zn++ + 1.0000 HPO4-- = ZnHPO4
-llnl_gamma 3.0
log_k +3.2600
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnHPO4
# Enthalpy of formation: -0 kcal/mol
1.0000 Zn++ + 1.0000 I- = ZnI+
-llnl_gamma 4.0
log_k -3.0134
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnI+
# Enthalpy of formation: -0 kcal/mol
2.0000 I- + 1.0000 Zn++ = ZnI2
-llnl_gamma 3.0
log_k -1.8437
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnI2
# Enthalpy of formation: -0 kcal/mol
3.0000 I- + 1.0000 Zn++ = ZnI3-
-llnl_gamma 4.0
log_k -2.0054
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnI3-
# Enthalpy of formation: -0 kcal/mol
4.0000 I- + 1.0000 Zn++ = ZnI4--
-llnl_gamma 4.0
log_k -2.6052
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnI4-2
# Enthalpy of formation: -0 kcal/mol
1.0000 Zn++ + 1.0000 N3- = ZnN3+
-llnl_gamma 4.0
log_k +0.4420
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnN3+
# Enthalpy of formation: -0 kcal/mol
1.0000 Zn++ + 1.0000 H2O = ZnOH+ +1.0000 H+
-llnl_gamma 4.0
log_k -8.96
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnOH+
# Enthalpy of formation: -0 kcal/mol
-analytic -7.8600e-001 -2.9499e-004 -2.8673e+003 6.1892e-001 -4.2576e+001
# -Range: 25-300
1.0000 Zn++ + 1.0000 HPO4-- = ZnPO4- +1.0000 H+
-llnl_gamma 4.0
log_k -4.3018
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnPO4-
# Enthalpy of formation: -0 kcal/mol
1.0000 Zn++ + 1.0000 SO4-- = ZnSO4
-llnl_gamma 3.0
log_k +2.3062
-delta_H 15.277 kJ/mol # Calculated enthalpy of reaction ZnSO4
# Enthalpy of formation: -1047.71 kJ/mol
-analytic 1.3640e+002 5.1256e-002 -3.4422e+003 -5.5695e+001 -5.8501e+001
# -Range: 0-200
1.0000 Zn++ + 1.0000 SeO4-- = ZnSeO4
-llnl_gamma 3.0
log_k +2.1900
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnSeO4
# Enthalpy of formation: -0 kcal/mol
3.0000 H2O + 1.0000 Zr++++ = Zr(OH)3+ +3.0000 H+
-llnl_gamma 4.0
log_k -0.6693
-delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)3+
# Enthalpy of formation: -0 kcal/mol
4.0000 H2O + 1.0000 Zr++++ = Zr(OH)4 +4.0000 H+
-llnl_gamma 3.0
log_k -1.4666
-delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)4
# Enthalpy of formation: -0 kcal/mol
5.0000 H2O + 1.0000 Zr++++ = Zr(OH)5- +5.0000 H+
-llnl_gamma 4.0
log_k -15.9754
-delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)5-
# Enthalpy of formation: -0 kcal/mol
2.0000 SO4-- + 1.0000 Zr++++ = Zr(SO4)2
-llnl_gamma 3.0
log_k +6.2965
-delta_H 0 # Not possible to calculate enthalpy of reaction Zr(SO4)2
# Enthalpy of formation: -0 kcal/mol
3.0000 SO4-- + 1.0000 Zr++++ = Zr(SO4)3--
-llnl_gamma 4.0
log_k +7.3007
-delta_H 0 # Not possible to calculate enthalpy of reaction Zr(SO4)3-2
# Enthalpy of formation: -0 kcal/mol
4.0000 H2O + 3.0000 Zr++++ = Zr3(OH)4+8 +4.0000 H+
-llnl_gamma 6.0
log_k -0.5803
-delta_H 0 # Not possible to calculate enthalpy of reaction Zr3(OH)4+8
# Enthalpy of formation: -0 kcal/mol
8.0000 H2O + 4.0000 Zr++++ = Zr4(OH)8+8 +8.0000 H+
-llnl_gamma 6.0
log_k -5.9606
-delta_H 0 # Not possible to calculate enthalpy of reaction Zr4(OH)8+8
# Enthalpy of formation: -0 kcal/mol
1.0000 Zr++++ + 1.0000 F- = ZrF+++
-llnl_gamma 5.0
log_k +8.5835
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF+3
# Enthalpy of formation: -0 kcal/mol
2.0000 F- + 1.0000 Zr++++ = ZrF2++
-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
3.0000 F- + 1.0000 Zr++++ = ZrF3+
-llnl_gamma 4.0
log_k +21.2792
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF3+
# Enthalpy of formation: -0 kcal/mol
4.0000 F- + 1.0000 Zr++++ = ZrF4
-llnl_gamma 3.0
log_k +25.9411
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4
# Enthalpy of formation: -0 kcal/mol
5.0000 F- + 1.0000 Zr++++ = ZrF5-
-llnl_gamma 4.0
log_k +30.3098
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF5-
# Enthalpy of formation: -0 kcal/mol
6.0000 F- + 1.0000 Zr++++ = ZrF6--
-llnl_gamma 4.0
log_k +34.0188
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrF6-2
# Enthalpy of formation: -0 kcal/mol
1.0000 Zr++++ + 1.0000 H2O = ZrOH+++ +1.0000 H+
-llnl_gamma 5.0
log_k +0.0457
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrOH+3
# Enthalpy of formation: -0 kcal/mol
1.0000 Zr++++ + 1.0000 SO4-- = ZrSO4++
-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
2.0000 H+ + 1.0000 O_phthalate-2 = H2O_phthalate
-llnl_gamma 3.0
log_k +8.3580
-delta_H 0 # Not possible to calculate enthalpy of reaction H2O_phthalate
# Enthalpy of formation: -0 kcal/mol
######################
#Start of organic species added Feb. 4, 2011
#######################
# 1-Butanamine, C4H9NH2
+ 2.0000 C2H5NH2 = C4H9NH2 + 1.0000 NH3
-llnl_gamma 3.0
log_k +7.0171
-delta_h +36.110 kcal/mol
-analytic 2.6628e+000 1.4357e-003 1.7062e+003 -7.5117e-001 5.7612e+003
# -Range: 0-300
# 1-Butanol, C4H9OH
+ 2.0000 C2H5OH = C4H9OH + 1.0000 H2O
-llnl_gamma 3.0
log_k +6.5001
-delta_h +80.320 kcal/mol
-analytic -2.4958e+000 -1.9919e-003 2.3794e+003 6.5075e-001 3.7130e+001
# -Range: 0-300
# 1-Butene, C4H8
+ 2.0000 C2H4 = C4H8
-llnl_gamma 3.0
log_k +13.6266
-delta_h +5.635 kcal/mol
-analytic -6.9511e+000 -5.1950e-003 5.3537e+003 2.0720e+000 -8.5186e+004
# -Range: 0-300
# 1-Butyne, C4H6
+ 2.0000 C2H2 + 1.0000 H2O = C4H6 + 0.5000 O2
-llnl_gamma 3.0
log_k -422.3711
-delta_h -33.4 kcal/mol
-analytic 8.0147e+000 -1.9434e-003 -9.6752e+002 -3.5459e+000 8.7444e+004
# -Range: 0-300
# 1-Heptanamine, C7H15NH2
+ 3.5000 C2H5NH2 = C7H15NH2 + 2.5000 NH3
-llnl_gamma 3.0
log_k +15.4646
-delta_h +51.990 kcal/mol
-analytic 8.1328e+000 2.9346e-003 3.6672e+003 -2.3594e+000 5.7222e+001
# -Range: 0-300
# 1-Heptanol, C7H15OH
+ 3.5000 C2H5OH = C7H15OH + 2.5000 H2O
-llnl_gamma 3.0
log_k +16.1733
-delta_h +97.270 kcal/mol
-analytic 1.1253e+000 -1.4421e-003 5.3337e+003 -9.7252e-001 8.3227e+001
# -Range: 0-300
# 1-Heptene, C7H14
+ 3.5000 C2H4 = C7H14
-llnl_gamma 3.0
log_k +30.5114
-delta_h +22.670 kcal/mol
-analytic -1.1457e+001 -1.3165e-002 1.1832e+004 3.2374e+000 -1.6063e+005
# -Range: 0-300
# 1-Heptyne, C7H12
+ 3.5000 C2H2 + 2.5000 H2O = C7H12 + 1.2500 O2
-llnl_gamma 3.0
log_k -748.8076
-delta_h -16.98 kcal/mol
-analytic 6.8635e+000 -6.7966e-003 -3.7961e+003 -4.0767e+000 1.8009e+005
# -Range: 0-300
# 1-Hexanamine, C6H13NH2
+ 3.0000 C2H5NH2 = C6H13NH2 + 2.0000 NH3
-llnl_gamma 3.0
log_k +12.3189
-delta_h +46.320 kcal/mol
-analytic 2.7655e+000 2.2270e-003 3.0793e+003 -5.7977e-001 4.8049e+001
# -Range: 0-300
# 1-Hexanol, C6H13OH
+ 3.0000 C2H5OH = C6H13OH + 2.0000 H2O
-llnl_gamma 3.0
log_k +13.8358
-delta_h +92.690 kcal/mol
-analytic 1.2093e+001 -8.5858e-004 4.0578e+003 -4.6909e+000 6.3315e+001
# -Range: 0-300
# 1-Hexene, C6H12
+ 3.0000 C2H4 = C6H12
-llnl_gamma 3.0
log_k +24.9076
-delta_h +17.025 kcal/mol
-analytic -1.8354e+001 -1.1761e-002 1.0127e+004 5.8975e+000 -1.5953e+005
# -Range: 0-300
# 1-Hexyne, C6H10
+ 3.0000 C2H2 + 2.0000 H2O = C6H10 + 1.0000 O2
-llnl_gamma 3.0
log_k -639.9392
-delta_h -22.34 kcal/mol
-analytic 2.6448e+001 -2.4295e-003 -3.8892e+003 -1.0837e+001 2.0944e+005
# -Range: 0-300
# 1-Octanamine, C8H17NH2
+ 4.0000 C2H5NH2 = C8H17NH2 + 3.0000 NH3
-llnl_gamma 3.0
log_k +18.6103
-delta_h +57.660 kcal/mol
-analytic 9.9090e+000 3.5563e-003 4.4097e+003 -2.8869e+000 6.8807e+001
# -Range: 0-300
# 1-Octanol, C8H12OH
# + 4.0000 C2H5OH = C8H12OH + 3.0000 H2O
# does not balance
# -llnl_gamma 3.0
# log_k +19.7862
# -delta_h +103.060 kcal/mol
# -analytic -1.0628e+001 -4.8545e-003 7.2441e+003 3.0590e+000 1.1304e+002
# -Range: 0-300
# 1-Octene, C8H16
+ 4.0000 C2H4 = C8H16
-llnl_gamma 3.0
log_k +35.9760
-delta_h +28.120 kcal/mol
-analytic -3.3408e+001 -1.8810e-002 1.5052e+004 1.1026e+001 -2.4723e+005
# -Range: 0-300
# 1-Octyne, C8H14
+ 4.0000 C2H2 + 3.0000 H2O = C8H14 + 1.5000 O2
-llnl_gamma 3.0
log_k -857.5439
-delta_h -11.33 kcal/mol
-analytic 4.5356e+001 -2.9242e-003 -6.8742e+003 -1.8272e+001 3.3648e+005
# -Range: 0-300
# 1-Pentanamine, C5H11NH2
+ 2.5000 C2H5NH2 = C5H11NH2 + 1.5000 NH3
-llnl_gamma 3.0
log_k +9.1805
-delta_h +40.650 kcal/mol
-analytic 8.4037e+000 2.7132e-003 1.9292e+003 -2.7349e+000 2.3844e+004
# -Range: 0-300
# 1-Pentanol, C5H11OH
+ 2.5000 C2H5OH = C5H11OH + 1.5000 H2O
-llnl_gamma 3.0
log_k +11.1245
-delta_h +87.730 kcal/mol
-analytic -9.8673e-001 -2.4789e-003 3.8322e+003 0.0000e+000 0.0000e+000
# -Range: 0-300
# 1-Pentene, C5H10
+ 2.5000 C2H4 = C5H10
-llnl_gamma 3.0
log_k +19.1718
-delta_h +11.200 kcal/mol
-analytic -5.8469e+001 -1.4970e-002 1.0267e+004 2.0489e+001 -2.6977e+005
# -Range: 0-300
# 1-Pentyne, C5H8
+ 2.5000 C2H2 + 1.5000 H2O = C5H8 + 0.7500 O2
-llnl_gamma 3.0
log_k -531.1075
-delta_h -27.8 kcal/mol
-analytic 5.0924e+000 -3.9604e-003 -1.7557e+003 -2.7988e+000 1.1194e+005
# -Range: 0-300
# 1-Propanamine, C3H7NH2
+ 1.5000 C2H5NH2 = C3H7NH2 + 0.5000 NH3
-llnl_gamma 3.0
log_k +4.1279
-delta_h +30.680 kcal/mol
-analytic 2.8174e+000 8.5281e-004 9.7545e+002 -8.9491e-001 1.5220e+001
# -Range: 0-300
# 1-Propanol, C3H7OH
+ 1.5000 C2H5OH = C3H7OH + 0.5000 H2O
-llnl_gamma 3.0
log_k +3.8548
-delta_h +75.320 kcal/mol
-analytic -2.8360e+000 -1.0577e-003 1.4368e+003 8.8413e-001 2.2421e+001
# -Range: 0-300
# 1-Propene, C3H6
+ 1.5000 C2H4 = C3H6
-llnl_gamma 3.0
log_k +8.2573
-delta_h +0.290 kcal/mol
-analytic 1.1038e+001 -3.4869e-004 2.3006e+003 -4.2007e+000 3.5895e+001
# -Range: 0-300
# 1-Propyne, C3H4
+ 1.5000 C2H2 + 0.5000 H2O = C3H4 + 0.2500 O2
-llnl_gamma 3.0
log_k -313.6201
-delta_h -38.97 kcal/mol
-analytic 2.4860e-002 -1.5316e-003 4.1336e+002 -3.4011e-001 3.0624e+004
# -Range: 0-300
# # 2-Butanone, C4H8O CH3C(O)CH2CH3
# + 4.0000 CH3COCH3 = C4H8O + 0.5000 O2
# does not balance
# -llnl_gamma 3.0
# log_k -1200.9839
# -delta_h +67.880 kcal/mol
# -analytic -2.1942e+001 9.8502e-004 -9.1936e+003 6.9213e+000 1.6006e+005
# -Range: 0-300
# 2-Heptanone, C7H14O correct formula
# + 7.0000 CH3COCH3 = C7H14O + 2.0000 O2
# does not balance
# -llnl_gamma 3.0
# log_k -2179.4136
# -delta_h +84.890 kcal/mol
# -analytic -1.8734e+002 -6.9923e-003 -3.0077e+004 6.2205e+001 -4.6928e+002
# -Range: 0-300
# 2-Hexanone, C6H12O
# + 6.0000 CH3COCH3 = C6H12O + 1.5000 O2
# does not balance
# -llnl_gamma 3.0
# log_k -1853.3802
# -delta_h +79.220 kcal/mol
# -analytic 3.3773e+002 5.9197e-002 -5.0406e+004 -1.2439e+002 1.7107e+006
# -Range: 0-300
# 2-Hydroxybutanoate, C4H7O3-
+ 1.0000 C3H7COOH + 0.5000 O2 = C4H7O3- + 1.0000 H+
-llnl_gamma 4.0
log_k -3.8116
-delta_h +169.810 kcal/mol
-analytic -5.4902e+001 -2.9840e-002 9.1382e+003 2.2664e+001 1.4261e+002
# -Range: 0-300
# 2-Hydroxybutanoic, C4H8O3
+ 1.0000 C3H7COOH + 0.5000 O2 = C4H8O3
-llnl_gamma 3.0
log_k -332.1774
-delta_h +169.670 kcal/mol
-analytic -3.0810e+001 -8.1378e-003 1.0507e+004 1.0709e+001 -1.5474e+005
# -Range: 0-300
# 2-Hydroxydecanoate, C10H19O3-
+ 5.0000 CH3COOH = C10H19O3- + 3.5000 O2 + 1.0000 H+
-llnl_gamma 4.0
log_k -3.7383
-delta_h +203.930 kcal/mol
-analytic -2.8008e+002 -1.9653e-002 -6.9199e+004 9.7024e+001 -1.0797e+003
# -Range: 0-300
# 2-Hydroxydecanoic, C10H20O3
+ 5.0000 CH3COOH = C10H20O3 + 3.5000 O2
-llnl_gamma 3.0
log_k -984.2221
-delta_h +203.690 kcal/mol
-analytic -3.2602e+002 -2.4822e-002 -6.7352e+004 1.1523e+002 -1.0509e+003
# -Range: 0-300
# 2-Hydroxyheptanoate, C7H13O3-
+ 3.5000 CH3COOH = C7H13O3- + 2.0000 O2 + 1.0000 H+
-llnl_gamma 4.0
log_k -3.7383
-delta_h +186.900 kcal/mol
-analytic -2.0491e+002 -2.6664e-002 -3.9557e+004 7.2979e+001 -6.1720e+002
# -Range: 0-300
# 2-Hydroxyheptanoic, C7H14O3
+ 3.5000 CH3COOH = C7H14O3 + 2.0000 O2
-llnl_gamma 3.0
log_k -658.2107
-delta_h +186.680 kcal/mol
-analytic -1.9142e+002 -1.4836e-002 -3.9307e+004 6.7281e+001 -6.1330e+002
# -Range: 0-300
# 2-Hydroxyhexanoate, C6H11O3-
+ 3.0000 CH3COOH = C6H11O3- + 1.5000 O2 + 1.0000 H+
-llnl_gamma 4.0
log_k -3.7384
-delta_h +181.240 kcal/mol
-analytic -1.7865e+002 -2.8722e-002 -2.9711e+004 6.4493e+001 -4.6357e+002
# -Range: 0-300
# 2-Hydroxyhexanoic, C6H12O3
+ 3.0000 CH3COOH = C6H12O3 + 1.5000 O2
-llnl_gamma 3.0
log_k -549.5329
-delta_h +181.010 kcal/mol
-analytic 4.5831e+000 5.4145e-003 -3.9948e+004 -1.4677e+000 6.9991e+005
# -Range: 0-300
# 2-Hydroxynonanoate, C9H17O3-
+ 4.5000 CH3COOH = C9H17O3- + 3.0000 O2 + 1.0000 H+
-llnl_gamma 4.0
log_k -3.7383
-delta_h +198.250 kcal/mol
-analytic -2.5572e+002 -2.2155e-002 -5.9298e+004 8.9284e+001 -9.2521e+002
# -Range: 0-300
# 2-Hydroxynonanoic, C9H18O3
+ 4.5000 CH3COOH = C9H18O3 + 3.0000 O2
-llnl_gamma 3.0
log_k -875.5516
-delta_h +198.020 kcal/mol
-analytic -1.1226e+002 -3.7272e-003 -6.9576e+004 4.0711e+001 8.3790e+005
# -Range: 0-300
# 2-Hydroxyoctanoate, C8H15O3-
+ 4.0000 CH3COOH = C8H15O3- + 2.5000 O2 + 1.0000 H+
-llnl_gamma 4.0
log_k -3.7383
-delta_h +192.570 kcal/mol
-analytic 6.7477e+001 1.2723e-002 -6.7802e+004 -2.4249e+001 1.1992e+006
# -Range: 0-300
# 2-Hydroxyoctanoic, C8H16O3
+ 4.0000 CH3COOH = C8H16O3 + 2.5000 O2
-llnl_gamma 3.0
log_k -766.8885
-delta_h +192.350 kcal/mol
-analytic 1.8003e+002 3.4449e-002 -7.4099e+004 -6.4322e+001 1.6435e+006
# -Range: 0-300
# 2-Hydroxypentanoate, C5H9O3-
+ 1.0000 C4H9COOH + 0.5000 O2 = C5H9O3- + 1.0000 H+
-llnl_gamma 4.0
log_k -3.5918
-delta_h +175.770 kcal/mol
-analytic -3.4964e+001 -2.4619e-002 8.6213e+003 1.4743e+001 1.3454e+002
# -Range: 0-300
# 2-Hydroxypentanoic, C5H10O3
+ 1.0000 C4H9COOH + 0.5000 O2 = C5H10O3
-llnl_gamma 3.0
log_k -440.8552
-delta_h +175.340 kcal/mol
-analytic -4.8323e+001 -1.0534e-002 1.1616e+004 1.6913e+001 -2.3478e+005
# -Range: 0-300
# 2-Octanone, C8H16O
# + 8.0000 CH3COCH3 = C8H16O + 2.5000 O2
# does not balance
# -llnl_gamma 3.0
# log_k -2505.4468
# -delta_h +90.560 kcal/mol
# -analytic 3.9776e+002 7.5718e-002 -7.4592e+004 -1.4798e+002 2.2610e+006
# -Range: 0-300
# 2-Pentanone, C5H10O
# + 5.0000 CH3COCH3 = C5H10O + 1.0000 O2
# does not balance
# -llnl_gamma 3.0
# log_k -1527.6549
# -delta_h +73.460 kcal/mol
# -analytic 2.2603e+002 3.9343e-002 -3.3782e+004 -8.3253e+001 1.1722e+006
# -Range: 0-300
# Acetaldehyde, CH3CHO
+ 1.0000 CH3COOH = CH3CHO + 0.5000 O2
-llnl_gamma 3.0
log_k -188.3673
-delta_h +50.380 kcal/mol
-analytic 2.3139e+001 9.8759e-003 -1.4924e+004 -9.4191e+000 8.0783e+004
# -Range: 0-300
# Acetamide, CH3CONH2
+ 1.0000 NH3 + 1.0000 CH3COOH = CH3CONH2 + 1.0000 H2O
-llnl_gamma 3.0
log_k +4.6947
-delta_h +77.290 kcal/mol
-analytic 2.4852e+001 5.3426e-003 1.3023e+003 -1.0554e+001 2.0315e+001
# -Range: 0-300
# CH3COCH3, CH3COCH3
+ 3.0000 HCO3- + 3.0000 H+ = CH3COCH3 + 4.0000 O2
-llnl_gamma 3.0
log_k -291.8554
-delta_h +61.720 kcal/mol
-analytic -2.5990E+03 -4.4302E-01 -5.7126E+02 9.8637E+02 -1.6901E-01
# -Range: 0-300
# Adipate, C6H8O4-2
+ 3.0000 CH3COOH = C6H8O4-2 + 2.0000 H+ + 1.0000 H2O + 0.5000 O2
-llnl_gamma 4.0
log_k -9.8223
-delta_h +227.780 kcal/mol
-analytic -1.6044e+002 -7.4583e-002 -9.1669e+003 6.5454e+001 -1.4299e+002
# -Range: 0-300
# Adipic_acid, C6H10O4
+ 3.0000 CH3COOH = C6H10O4 + 1.0000 H2O + 0.5000 O2
-llnl_gamma 3.0
log_k -467.5962
-delta_h +229.750 kcal/mol
-analytic -4.7527e+001 -1.3717e-002 -1.0191e+004 1.7857e+001 -1.5900e+002
# -Range: 0-300
# Alanine, C3H7NO2
+ 1.0000 NH3 + 3.0000 HCO3- + 3.0000 H+ = C3H7NO2 + 1.0000 H2O + 3.0000 O2
-llnl_gamma 3.0
log_k -215.2132
-delta_h +132.130 kcal/mol
-analytic -1.8686E+03 -3.1237E-01 -5.4608E+02 7.0646E+02 -8.7774E-03
# -Range 0-300
# Alanylglycine, C5H10N2O3
+ 2.5000 C2H5NO2 = C5H10N2O3 + 0.7500 O2 + 0.5000 H2O + 0.5000 NH3
-llnl_gamma 3.0
log_k -326.317
-delta_h +186.110 kcal/mol
-analytic 1.4154e+001 1.2917e-002 -2.0305e+004 -5.2689e+000 6.4481e+005
# -Range: 0-300
# Asparagine, C4H8N2O3
+ 2.0000 C2H5NO2 = C4H8N2O3 + 1.0000 H2O
-llnl_gamma 3.0
log_k +5.9386
-delta_h +186.660 kcal/mol
-analytic -1.7915e+001 8.7354e-004 2.1119e+003 6.1432e+000 1.1658e+005
# -Range: 0-300
# Aspartic_acid, C4H7NO4
+ 2.0000 C2H5NO2 = C4H7NO4 + 1.0000 NH3
-llnl_gamma 3.0
log_k +1.1340
-delta_h +226.370 kcal/mol
-analytic -1.6456e+001 1.7980e-003 2.4086e+002 6.0721e+000 1.0866e+005
# -Range: 0-300
# Azelaic_acid, C9H16O4
+ 4.5000 CH3COOH = C9H16O4 + 2.0000 O2 + 1.0000 H2O
-llnl_gamma 3.0
log_k -795.8139
-delta_h +240.700 kcal/mol
-analytic 2.0346e+002 2.5843e-002 -6.2187e+004 -7.1175e+001 1.4838e+006
# -Range: 0-300
# Azelate, C9H14O4-2
+ 4.5000 CH3COOH = C9H14O4-2 + 2.0000 H+ + 2.0000 O2 + 1.0000 H2O
-llnl_gamma 4.0
log_k -9.9176
-delta_h +241.660 kcal/mol
-analytic -2.5031e+002 -7.0995e-002 -3.9050e+004 9.5249e+001 -6.0927e+002
# -Range: 0-300
# Ba(Ala)+, Ba(C3H6NO2)+
+ 1.0000 Ba+2 + 1.0000 C3H7NO2 = Ba(C3H6NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -9.3949
-delta_h +243.703 kcal/mol
-analytic -1.9975e+001 5.8683e-003 -3.7242e+003 7.5785e+000 2.2969e+005
# -Range: 0-300
# Ba(Ala)2, Ba(C3H6NO2)2
+ 2.0000 C3H7NO2 + 1.0000 Ba+2 = Ba(C3H6NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -19.3096
-delta_h +359.051 kcal/mol
-analytic 1.0973e+002 1.7563e-002 -2.0507e+004 -3.3504e+001 1.5490e+006
# -Range: 0-300
# Ba(But)+, Ba(CH3(CH2)2CO2)+
+ 1.0000 C3H7COOH + 1.0000 Ba+2 = Ba(CH3(CH2)2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -4.8378
-delta_h +253.285 kcal/mol
-analytic -1.6992e+001 3.8062e-003 -1.7104e+003 5.2858e+000 3.2839e+005
# -Range: 0-300
# Ba(But)2, Ba(CH3(CH2)2CO2)2
+ 2.0000 C3H7COOH + 1.0000 Ba+2 = Ba(CH3(CH2)2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -9.9857
-delta_h +378.066 kcal/mol
-analytic -2.9726e+000 1.9119e-003 -9.5963e+003 3.7172e+000 1.3721e+006
# -Range: 0-300
# Ba(For)+, Ba(CHO2)+
+ 1.0000 HCOOH + 1.0000 Ba+2 = Ba(CHO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.3727
-delta_h +228.918 kcal/mol
-analytic 8.0004e-001 1.5487e-003 -2.7467e+002 -1.0939e+000 -4.2863e+000
# -Range: 0-300
# Ba(For)2, Ba(CHO2)2
+ 2.0000 HCOOH + 1.0000 Ba+2 = Ba(CHO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -5.296
-delta_h +329.933 kcal/mol
-analytic 3.4358e+001 -2.1439e-003 -4.0534e+003 -1.1596e+001 2.9161e+005
# -Range: 0-300
# Ba(Gly)+, Ba(C2H4NO2)+
+ 1.0000 C2H5NO2 + 1.0000 Ba+2 = Ba(C2H4NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -8.2881
-delta_h +235.808 kcal/mol
-analytic -4.3238e+000 8.7896e-003 -3.1933e+003 1.1733e+000 1.0974e+005
# -Range: 0-300
# Ba(Gly)2, Ba(C2H4NO2)2
+ 2.0000 C2H5NO2 + 1.0000 Ba+2 = Ba(C2H4NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -17.1868
-delta_h +343.302 kcal/mol
-analytic 3.6958e+001 8.4550e-003 -1.2694e+004 -9.4136e+000 8.1935e+005
# -Range: 0-300
# Ba(Glyc)+, Ba(CH3OCO2)+
+ 1.0000 C2H4O3 + 1.0000 Ba+2 = Ba(CH3OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.8338
-delta_h +282.924 kcal/mol
-analytic -1.6504e+001 4.4210e-004 -4.2741e+002 5.3311e+000 1.5913e+005
# -Range: 0-300
# Ba(Glyc)2, Ba(CH3OCO2)2
+ 2.0000 C2H4O3 + 1.0000 Ba+2 = Ba(CH3OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -5.9674
-delta_h +436.833 kcal/mol
-analytic 5.7805e+000 -1.9337e-003 -5.5632e+003 -3.9310e-001 7.5344e+005
# -Range: 0-300
# Ba(Lac)+, Ba(CH3CH2OCO2)+
+ 1.0000 C3H6O3 + 1.0000 Ba+2 = Ba(CH3CH2OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.223
-delta_h +291.416 kcal/mol
-analytic -1.3618e+001 2.4575e-003 -1.0433e+003 4.2488e+000 2.3666e+005
# -Range: 0-300
# Ba(Lac)2, Ba(CH3CH2OCO2)2
+ 2.0000 C3H6O3 + 1.0000 Ba+2 = Ba(CH3CH2OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -6.6762
-delta_h +453.654 kcal/mol
-analytic 1.1971e+001 8.0125e-004 -7.9857e+003 -1.7124e+000 1.0808e+006
# -Range: 0-300
# Ba(Pent)+, Ba(CH3(CH2)3CO2)+
+ 1.0000 C4H9COOH + 1.0000 Ba+2 = Ba(CH3(CH2)3CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -5.0673
-delta_h +259.492 kcal/mol
-analytic -3.4714e+001 4.4831e-003 -2.0568e+003 1.1920e+001 5.1000e+005
# -Range: 0-300
# Ba(Pent)2, Ba(CH3(CH2)3CO2)2
+ 2.0000 C4H9COOH + 1.0000 Ba+2 = Ba(CH3(CH2)3CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -10.4241
-delta_h +389.909 kcal/mol
-analytic -3.2583e+001 3.5113e-003 -1.2204e+004 1.6052e+001 1.9881e+006
# -Range: 0-300
# Ba(Prop)+, Ba(CH3CH2CO2)+
+ 1.0000 C2H5COOH + 1.0000 Ba+2 = Ba(CH3CH2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -4.7462
-delta_h +248.190 kcal/mol
-analytic -5.3032e+000 4.7638e-003 -2.1690e+003 1.1454e+000 3.1960e+005
# -Range: 0-300
# Ba(Prop)2, Ba(CH3CH2CO2)2
+ 2.0000 C2H5COOH + 1.0000 Ba+2 = Ba(CH3CH2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -9.823
-delta_h +368.336 kcal/mol
-analytic -1.3636e+001 2.7509e-004 -7.6760e+003 6.8362e+000 1.1194e+006
# -Range: 0-300
# Benzene, C6H6
+ 6.0000 HCO3- + 6.0000 H+ = C6H6 + 3.0000 H2O + 7.5 O2
-llnl_gamma 3.0
log_k -537.502
-delta_h -12.23 kcal/mol
-analytic -4.7749E+03 -8.0212E-01 -6.4755E+02 1.8097E+03 -7.4941E-01
# -Range: 0-300
# Benzoate, C7H5O2-
+ 3.5000 CH3COOH = C7H5O2- + 4.0000 H2O + 1.0000 H+ + 0.5000 O2
-llnl_gamma 6.0
log_k -4.2001
-delta_h +84.990 kcal/mol
-analytic -1.6676e+002 -3.8444e-002 -5.4403e+003 6.2663e+001 -8.4843e+001
# -Range: 0-300
# Benzoic_acid, C7H6O2
+ 3.5000 CH3COOH = C7H6O2 + 4.0000 H2O + 0.5000 O2
-llnl_gamma 3.0
log_k -534.1773
-delta_h +85.070 kcal/mol
-analytic 1.5144e+001 3.5834e-003 -1.3334e+004 -5.4195e+000 4.1964e+005
# -Range: 0-300
# Butanal, CH3(CH2)2CHO
+ 1.0000 C2H4 + 1.0000 CH3COOH = CH3(CH2)2CHO + 0.5000 O2
-llnl_gamma 3.0
log_k -406.1993
-delta_h +61.070 kcal/mol
-analytic -1.2090e+001 -8.7356e-004 -9.4627e+003 3.4311e+000 -1.4765e+002
# -Range: 0-300
# Butanoate, C3H7COO-
+ 1.0000 C3H7COOH = C3H7COO- + 1.0000 H+
-llnl_gamma 4.0
log_k -4.8085
-delta_h +128.630 kcal/mol
-analytic -8.2788e+001 -2.9877e-002 1.7558e+003 3.2727e+001 2.7421e+001
# -Range: 0-300
# Butanoic_acid, C3H7COOH
+ 4.0000 HCO3- + 4.0000 H+ = C3H7COOH + 5.0000 O2
-llnl_gamma 3.0
log_k -358.9446
-delta_h +127.950 kcal/mol
-analytic -3.1892E+03 -5.4023E-01 -5.9261E+02 1.2095E+03 -3.5739E-01
# -Range: 0-300
# Ca(Ala)+, Ca(C3H6NO2)+
+ 1.0000 Ca+2 + 1.0000 C3H7NO2 = Ca(C3H6NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -9.1245
-delta_h +247.083 kcal/mol
-analytic 1.6971e+001 9.5706e-003 -6.1936e+003 -5.4079e+000 4.6397e+005
# -Range: 0-300
# Ca(Ala)2, Ca(C3H6NO2)2
+ 2.0000 C3H7NO2 + 1.0000 Ca+2 = Ca(C3H6NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -18.8192
-delta_h +364.714 kcal/mol
-analytic 2.3029e+001 8.5155e-003 -1.5061e+004 -3.5999e+000 1.3386e+006
# -Range: 0-300
# Ca(But)+, Ca(CH3(CH2)2CO2)+
+ 1.0000 Ca+2 + 1.0000 C3H7COOH = Ca(CH3(CH2)2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -4.2976
-delta_h +257.034 kcal/mol
-analytic -2.5048e+001 1.5166e-003 -1.4808e+003 8.3797e+000 4.0411e+005
# -Range: 0-300
# Ca(But)2, Ca(CH3(CH2)2CO2)2
+ 2.0000 C3H7COOH + 1.0000 Ca+2 = Ca(CH3(CH2)2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -8.9955
-delta_h +384.411 kcal/mol
-analytic 2.0646e+000 5.8047e-003 -9.1382e+003 5.9558e-001 1.4594e+006
# -Range: 0-300
# Ca(For)+, Ca(CHO2)+
+ 1.0000 HCOOH + 1.0000 Ca+2 = Ca(CHO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.3229
-delta_h +231.998 kcal/mol
-analytic 2.9298e+000 9.5453e-004 -6.9686e+002 -1.7506e+000 1.0103e+005
# -Range: 0-300
# Ca(For)2, Ca(CHO2)2
+ 2.0000 HCOOH + 1.0000 Ca+2 = Ca(CHO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -5.2058
-delta_h +335.050 kcal/mol
-analytic 2.6958e+001 -7.2777e-005 -3.1911e+003 -1.0215e+001 3.4188e+005
# -Range: 0-300
# Ca(Gly)+, Ca(C2H4NO2)+
+ 1.0000 C2H5NO2 + 1.0000 Ca+2 = Ca(C2H4NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -8.4281
-delta_h +238.629 kcal/mol
-analytic 9.6784e+000 9.2419e-003 -4.5102e+003 -3.5460e+000 2.7110e+005
# -Range: 0-300
# Ca(Gly)2, Ca(C2H4NO2)2
+ 2.0000 C2H5NO2 + 1.0000 Ca+2 = Ca(C2H4NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -17.4463
-delta_h +347.942 kcal/mol
-analytic 4.7335e+001 1.2694e-002 -1.3050e+004 -1.4305e+001 9.4368e+005
# -Range: 0-300
# Ca(Glyc)+, Ca(CH3OCO2)+
+ 1.0000 C2H4O3 + 1.0000 Ca+2 = Ca(CH3OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.1836
-delta_h +285.318 kcal/mol
-analytic -6.6096e+000 1.5353e-003 -1.1777e+003 2.0325e+000 2.5764e+005
# -Range: 0-300
# Ca(Glyc)2, Ca(CH3OCO2)2
+ 2.0000 C2H4O3 + 1.0000 Ca+2 = Ca(CH3OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -4.777
-delta_h +441.481 kcal/mol
-analytic 1.5520e+001 2.3781e-003 -5.6732e+003 -4.6723e+000 8.5347e+005
# -Range: 0-300
# Ca(Lac)+, Ca(CH3CH2OCO2)+
+ 1.0000 C3H6O3 + 1.0000 Ca+2 = Ca(CH3CH2OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.4431
-delta_h +294.436 kcal/mol
-analytic -1.3975e+001 1.7379e-003 -1.2135e+003 4.6597e+000 3.1702e+005
# -Range: 0-300
# Ca(Lac)2, Ca(CH3CH2OCO2)2
+ 2.0000 C3H6O3 + 1.0000 Ca+2 = Ca(CH3CH2OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -5.2461
-delta_h +459.217 kcal/mol
-analytic -1.6205e+001 -2.3672e-004 -5.8180e+003 7.5258e+000 1.0619e+006
# -Range: 0-300
# Ca(Pent)+, Ca(CH3(CH2)3CO2)+
+ 1.0000 C4H9COOH + 1.0000 Ca+2 = Ca(CH3(CH2)3CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -4.5674
-delta_h +263.187 kcal/mol
-analytic -3.1543e+001 3.4804e-003 -2.5576e+003 1.1076e+001 6.3392e+005
# -Range: 0-300
# Ca(Pent)2, Ca(CH3(CH2)3CO2)2
+ 2.0000 C4H9COOH + 1.0000 Ca+2 = Ca(CH3(CH2)3CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -9.5042
-delta_h +396.159 kcal/mol
-analytic -3.4318e+001 6.3122e-003 -1.1437e+004 1.5421e+001 2.0603e+006
# -Range: 0-300
# Ca(Prop)+, Ca(CH3CH2CO2)+
+ 1.0000 C2H5COOH + 1.0000 Ca+2 = Ca(CH3CH2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -4.2163
-delta_h +251.925 kcal/mol
-analytic -1.1303e+001 2.9020e-003 -2.0209e+003 3.4533e+000 3.9745e+005
# -Range: 0-300
# Ca(Prop)2, Ca(CH3CH2CO2)2
+ 2.0000 C2H5COOH + 1.0000 Ca+2 = Ca(CH3CH2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -8.8533
-delta_h +374.653 kcal/mol
-analytic -2.1746e+001 2.3077e-003 -6.4906e+003 8.4496e+000 1.1644e+006
# -Range: 0-300
# Cd(Ala)+, Cd(C3H6NO2)+
+ 1.0000 Cd+2 + 1.0000 C3H7NO2 = Cd(C3H6NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -5.3348
-delta_h +141.016 kcal/mol
-analytic -1.0583e+001 3.9676e-003 -4.0210e+003 5.0485e+000 4.5101e+005
# -Range: 0-300
# Cd(Ala)2, Cd(C3H6NO2)2
+ 2.0000 C3H7NO2 + 1.0000 Cd+2 = Cd(C3H6NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -11.8894
-delta_h +263.420 kcal/mol
-analytic 2.5164e+001 8.5032e-003 -1.3671e+004 -4.0957e+000 1.4600e+006
# -Range: 0-300
# Cd(But)+, Cd(CH3(CH2)2CO2)+
+ 1.0000 Cd+2 + 1.0000 C3H7COOH = Cd(CH3(CH2)2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.2875
-delta_h +147.174 kcal/mol
-analytic -2.4575e+001 -8.5197e-006 -1.6709e+003 8.7040e+000 4.7765e+005
# -Range: 0-300
# Cd(But)2, Cd(CH3(CH2)2CO2)2
+ 2.0000 C3H7COOH + 1.0000 Cd+2 = Cd(CH3(CH2)2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -6.976
-delta_h +276.419 kcal/mol
-analytic -5.3701e+000 4.5291e-003 -8.6471e+003 3.5125e+000 1.5458e+006
# -Range: 0-300
# Cd(For)+, Cd(CHO2)+
+ 1.0000 HCOOH + 1.0000 Cd+2 = Cd(CHO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.9131
-delta_h +121.320 kcal/mol
-analytic -5.5574e-001 -1.0359e-003 -8.1506e+002 -3.4199e-002 1.5786e+005
# -Range: 0-300
# Cd(For)2, Cd(CHO2)2
+ 2.0000 HCOOH + 1.0000 Cd+2 = Cd(CHO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -3.6658
-delta_h +226.403 kcal/mol
-analytic 2.2826e+000 -3.7353e-003 -1.8618e+003 -1.1085e+000 3.7009e+005
# -Range: 0-300
# Cd(Gly)+, Cd(C2H4NO2)+
+ 1.0000 C2H5NO2 + 1.0000 Cd+2 = Cd(C2H4NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -5.0885
-delta_h +132.088 kcal/mol
-analytic -1.0697e+001 4.7244e-003 -2.8241e+003 4.2651e+000 2.7816e+005
# -Range: 0-300
# Cd(Gly)2, Cd(C2H4NO2)2
+ 2.0000 C2H5NO2 + 1.0000 Cd+2 = Cd(C2H4NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -11.1564
-delta_h +246.607 kcal/mol
-analytic 1.7236e+001 8.4272e-003 -9.8265e+003 -3.4936e+000 9.5253e+005
# -Range: 0-300
# Cd(Glyc)+, Cd(CH3OCO2)+
+ 1.0000 C2H4O3 + 1.0000 Cd+2 = Cd(CH3OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.9637
-delta_h +174.381 kcal/mol
-analytic -2.7570e+000 5.5464e-004 -1.7718e+003 1.1165e+000 3.3942e+005
# -Range: 0-300
# Cd(Glyc)2, Cd(CH3OCO2)2
+ 2.0000 C2H4O3 + 1.0000 Cd+2 = Cd(CH3OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -4.3775
-delta_h +331.279 kcal/mol
-analytic 1.7413e+001 2.4215e-003 -6.1858e+003 -5.1146e+000 9.6988e+005
# -Range: 0-300
# Cd(Lac)+, Cd(CH3CH2OCO2)+
+ 1.0000 C3H6O3 + 1.0000 Cd+2 = Cd(CH3CH2OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.1631
-delta_h +183.519 kcal/mol
-analytic -1.3237e+001 2.9922e-004 -1.6309e+003 4.8863e+000 3.8920e+005
# -Range: 0-300
# Cd(Lac)2, Cd(CH3CH2OCO2)2
+ 2.0000 C3H6O3 + 1.0000 Cd+2 = Cd(CH3CH2OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -4.736
-delta_h +349.085 kcal/mol
-analytic -1.7558e+001 -6.8972e-004 -6.1408e+003 8.2844e+000 1.1691e+006
# -Range: 0-300
# Cd(Pent)+, Cd(CH3(CH2)3CO2)+
+ 1.0000 C4H9COOH + 1.0000 Cd+2 = Cd(CH3(CH2)3CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.237
-delta_h +153.764 kcal/mol
-analytic -1.4232e+001 4.3507e-003 -3.5842e+003 5.3294e+000 7.6047e+005
# -Range: 0-300
# Cd(Pent)2, Cd(CH3(CH2)3CO2)2
+ 2.0000 C4H9COOH + 1.0000 Cd+2 = Cd(CH3(CH2)3CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -7.0742
-delta_h +288.726 kcal/mol
-analytic -3.1302e+001 6.5168e-003 -1.1405e+004 1.4573e+001 2.1801e+006
# -Range: 0-300
# Cd(Prop)+, Cd(CH3CH2CO2)+
+ 1.0000 C2H5COOH + 1.0000 Cd+2 = Cd(CH3CH2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.0068
-delta_h +142.338 kcal/mol
-analytic -1.1700e+001 1.3228e-003 -2.0826e+003 4.0674e+000 4.6555e+005
# -Range: 0-300
# Cd(Prop)2, Cd(CH3CH2CO2)2
+ 2.0000 C2H5COOH + 1.0000 Cd+2 = Cd(CH3CH2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -6.5531
-delta_h +267.043 kcal/mol
-analytic -2.7887e+001 1.1740e-003 -6.0022e+003 1.0916e+001 1.2569e+006
# -Range: 0-300
# Co(Ala)+, Co(C3H6NO2)+
+ 1.0000 Co+2 + 1.0000 C3H7NO2 = Co(C3H6NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -5.6449
-delta_h +136.245 kcal/mol
-analytic -6.6326e+000 4.2270e-003 -4.1512e+003 3.5761e+000 4.2801e+005
# -Range: 0-300
# Co(Ala)2, Co(C3H6NO2)2
+ 2.0000 C3H7NO2 + 1.0000 Co+2 = Co(C3H6NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -12.3196
-delta_h +259.272 kcal/mol
-analytic 3.7901e+001 1.0752e-002 -1.3519e+004 -9.4658e+000 1.3658e+006
# -Range: 0-300
# Co(But)+, Co(CH3(CH2)2CO2)+
+ 1.0000 Co+2 + 1.0000 C3H7COOH = Co(CH3(CH2)2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.0977
-delta_h +144.234 kcal/mol
-analytic -1.2926e+001 1.1374e-003 -1.9544e+003 4.2567e+000 4.9139e+005
# -Range: 0-300
# Co(But)2, Co(CH3(CH2)2CO2)2
+ 2.0000 C3H7COOH + 1.0000 Co+2 = Co(CH3(CH2)2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -6.806
-delta_h +274.655 kcal/mol
-analytic -1.7789e+001 3.3292e-003 -6.6509e+003 6.8084e+000 1.3765e+006
# -Range: 0-300
# Co(For)+, Co(CHO2)+
+ 1.0000 HCOOH + 1.0000 Co+2 = Co(CHO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.8934
-delta_h +118.148 kcal/mol
-analytic 3.4604e+000 -7.0163e-004 -6.4686e+002 -1.8241e+000 1.3725e+005
# -Range: 0-300
# Co(For)2, Co(CHO2)2
+ 2.0000 HCOOH + 1.0000 Co+2 = Co(CHO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -4.4259
-delta_h +223.371 kcal/mol
-analytic 4.6480e+000 -2.8123e-003 -9.5823e+002 -3.1486e+000 2.4710e+005
# -Range: 0-300
# Co(Gly)+, Co(C2H4NO2)+
+ 1.0000 C2H5NO2 + 1.0000 Co+2 = Co(C2H4NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -4.7081
-delta_h +129.082 kcal/mol
-analytic -6.1033e+000 4.7861e-003 -2.7304e+003 2.4628e+000 2.7041e+005
# -Range: 0-300
# Co(Gly)2, Co(C2H4NO2)2
+ 2.0000 C2H5NO2 + 1.0000 Co+2 = Co(C2H4NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -10.4666
-delta_h +243.427 kcal/mol
-analytic 3.7958e+001 1.1767e-002 -9.8791e+003 -1.1599e+001 8.8179e+005
# -Range: 0-300
# Co(Glyc)+, Co(CH3OCO2)+
+ 1.0000 C2H4O3 + 1.0000 Co+2 = Co(CH3OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.8538
-delta_h +171.331 kcal/mol
-analytic -5.3556e+000 -1.8875e-004 -1.2450e+003 1.7558e+000 3.0214e+005
# -Range: 0-300
# Co(Glyc)2, Co(CH3OCO2)2
+ 2.0000 C2H4O3 + 1.0000 Co+2 = Co(CH3OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -4.1774
-delta_h +329.556 kcal/mol
-analytic 2.1760e+000 8.7672e-004 -4.0049e+003 -8.2381e-001 7.8900e+005
# -Range: 0-300
# Co(Lac)+, Co(CH3CH2OCO2)+
+ 1.0000 C3H6O3 + 1.0000 Co+2 = Co(CH3CH2OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.5032
-delta_h +179.856 kcal/mol
-analytic -8.0185e+000 4.8796e-004 -1.7264e+003 2.7704e+000 3.8387e+005
# -Range: 0-300
# Co(Lac)2, Co(CH3CH2OCO2)2
+ 2.0000 C3H6O3 + 1.0000 Co+2 = Co(CH3CH2OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -5.2359
-delta_h +346.408 kcal/mol
-analytic 2.9324e+000 2.8527e-003 -6.1528e+003 -3.0383e-001 1.1020e+006
# -Range: 0-300
# Co(Pent)+, Co(CH3(CH2)3CO2)+
+ 1.0000 C4H9COOH + 1.0000 Co+2 = Co(CH3(CH2)3CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.1571
-delta_h +150.673 kcal/mol
-analytic -2.2797e+001 2.4832e-003 -2.8121e+003 8.2127e+000 7.1396e+005
# -Range: 0-300
# Co(Pent)2, Co(CH3(CH2)3CO2)2
+ 2.0000 C4H9COOH + 1.0000 Co+2 = Co(CH3(CH2)3CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -6.924
-delta_h +286.935 kcal/mol
-analytic -3.2956e+001 6.8817e-003 -1.0002e+004 1.3976e+001 2.0436e+006
# -Range: 0-300
# Co(Prop)+, Co(CH3CH2CO2)+
+ 1.0000 C2H5COOH + 1.0000 Co+2 = Co(CH3CH2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.5866
-delta_h +138.347 kcal/mol
-analytic -5.0563e+000 1.9295e-003 -2.2644e+003 1.3628e+000 4.5635e+005
# -Range: 0-300
# Co(Prop)2, Co(CH3CH2CO2)2
+ 2.0000 C2H5COOH + 1.0000 Co+2 = Co(CH3CH2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -7.6929
-delta_h +263.492 kcal/mol
-analytic -1.4853e+001 3.7021e-003 -5.7739e+003 4.9977e+000 1.1637e+006
# -Range: 0-300
# Cu(Ala)+, Cu(C3H6NO2)+
+ 1.0000 Cu+2 + 1.0000 C3H7NO2 = Cu(C3H6NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.8545
-delta_h +109.970 kcal/mol
-analytic -1.1698e+001 4.4099e-003 -2.4550e+003 5.1251e+000 3.6414e+005
# -Range: 0-300
# Cu(Ala)2, Cu(C3H6NO2)2
+ 2.0000 C3H7NO2 + 1.0000 Cu+2 = Cu(C3H6NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -5.3297
-delta_h +237.360 kcal/mol
-analytic -1.2813e+001 3.4309e-003 -8.8197e+003 9.0075e+000 1.2248e+006
# -Range: 0-300
# Cu(But)+, Cu(CH3(CH2)2CO2)+
+ 1.0000 Cu+2 + 1.0000 C3H7COOH = Cu(CH3(CH2)2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.6982
-delta_h +114.768 kcal/mol
-analytic 1.9946e+000 3.2893e-003 -2.6114e+003 -1.1028e+000 5.1836e+005
# -Range: 0-300
# Cu(But)2, Cu(CH3(CH2)2CO2)2
+ 2.0000 C3H7COOH + 1.0000 Cu+2 = Cu(CH3(CH2)2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -6.0656
-delta_h +245.176 kcal/mol
-analytic -2.8831e+001 1.5210e-003 -6.1416e+003 1.1151e+001 1.3647e+006
# -Range: 0-300
# Cu(For)+, CuCHO2+
+ 1.0000 HCOOH + 1.0000 Cu+2 = CuCHO2+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.7731
-delta_h +88.300 kcal/mol
-analytic 1.8727e+000 -1.0020e-003 -5.0154e+002 -1.1966e+000 1.1576e+005
# -Range: 0-300
# Cu(For)2, Cu(CHO2)2
+ 2.0000 HCOOH + 1.0000 Cu+2 = Cu(CHO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -4.206
-delta_h +193.183 kcal/mol
-analytic 7.4586e+000 -2.6644e-003 -1.3786e+003 -3.7935e+000 2.8017e+005
# -Range: 0-300
# Cu(Gly)+, Cu(C2H4NO2)+
+ 1.0000 C2H5NO2 + 1.0000 Cu+2 = Cu(C2H4NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.208
-delta_h +102.408 kcal/mol
-analytic -1.2098e+001 4.5923e-003 -1.3603e+003 4.7714e+000 2.0346e+005
# -Range: 0-300
# Cu(Gly)2, Cu(C2H4NO2)2
+ 2.0000 C2H5NO2 + 1.0000 Cu+2 = Cu(C2H4NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -3.7266
-delta_h +221.770 kcal/mol
-analytic -6.9393e+000 5.1196e-003 -5.7575e+003 5.0366e+000 7.6022e+005
# -Range: 0-300
# Cu(Glyc)+, Cu(CH3OCO2)+
+ 1.0000 C2H4O3 + 1.0000 Cu+2 = Cu(CH3OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -0.9434
-delta_h +142.561 kcal/mol
-analytic -8.4029e+000 -5.9451e-004 -7.5383e+002 2.8746e+000 2.7225e+005
# -Range: 0-300
# Cu(Glyc)2, Cu(CH3OCO2)2
+ 2.0000 C2H4O3 + 1.0000 Cu+2 = Cu(CH3OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -3.0075
-delta_h +300.664 kcal/mol
-analytic -9.6849e+000 -1.0687e-003 -3.3286e+003 3.8217e+000 7.7552e+005
# -Range: 0-300
# Cu(Lac)+, Cu(CH3CH2OCO2)+
+ 1.0000 C3H6O3 + 1.0000 Cu+2 = Cu(CH3CH2OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.3033
-delta_h +151.481 kcal/mol
-analytic -1.1811e+001 3.4701e-005 -1.0895e+003 4.1370e+000 3.4922e+005
# -Range: 0-300
# Cu(Lac)2, Cu(CH3CH2OCO2)2
+ 2.0000 C3H6O3 + 1.0000 Cu+2 = Cu(CH3CH2OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -3.5756
-delta_h +318.184 kcal/mol
-analytic -9.7842e+000 7.7321e-004 -5.2869e+003 4.6546e+000 1.0864e+006
# -Range: 0-300
# Cu(Pent)+, Cu(CH3(CH2)3CO2)+
+ 1.0000 C4H9COOH + 1.0000 Cu+2 = Cu(CH3(CH2)3CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.7473
-delta_h +121.221 kcal/mol
-analytic -1.5283e+001 3.6782e-003 -3.0281e+003 5.4906e+000 7.1403e+005
# -Range: 0-300
# Cu(Pent)2, Cu(CH3(CH2)3CO2)2
+ 2.0000 C4H9COOH + 1.0000 Cu+2 = Cu(CH3(CH2)3CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -6.1741
-delta_h +257.470 kcal/mol
-analytic -2.9542e+001 7.1204e-003 -1.0296e+004 1.3112e+001 2.0784e+006
# -Range: 0-300
# Cu(Prop)+, Cu(CH3CH2CO2)+
+ 1.0000 C2H5COOH + 1.0000 Cu+2 = Cu(CH3CH2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.6762
-delta_h +109.577 kcal/mol
-analytic -1.3220e+001 7.8363e-004 -1.4925e+003 4.3301e+000 4.1063e+005
# -Range: 0-300
# Cu(Prop)2, Cu(CH3CH2CO2)2
+ 2.0000 C2H5COOH + 1.0000 Cu+2 = Cu(CH3CH2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -6.0326
-delta_h +235.268 kcal/mol
-analytic -1.0718e+001 3.9487e-003 -5.8699e+003 3.9089e+000 1.2053e+006
# -Range: 0-300
# Decanal, CH3(CH2)8CHO
+ 4.0000 C2H4 + 1.0000 CH3COOH = CH3(CH2)8CHO + 0.5000 O2
-llnl_gamma 3.0
log_k -1058.134
-delta_h +95.290 kcal/mol
-analytic -7.6767e+001 -2.9579e-002 4.2940e+003 2.8063e+001 6.7027e+001
# -Range: 0-300
# Decanoate, C10H19O2-
+ 5.0000 CH3COOH = C10H19O2- + 4.0000 O2 + 1.0000 H+
-llnl_gamma 4.0
log_k -4.9185
-delta_h +162.700 kcal/mol
-analytic -3.1511e+002 -2.1029e-002 -7.6356e+004 1.0982e+002 -1.1914e+003
# -Range: 0-300
# Decanoic_acid, C10H20O2
+ 5.0000 CH3COOH = C10H20O2 + 4.0000 O2
-llnl_gamma 3.0
log_k -1010.8207
-delta_h +162.200 kcal/mol
-analytic 1.9927e+002 4.5966e-002 -1.0812e+005 -7.0739e+001 2.1239e+006
# -Range: 0-300
# Diglycine, C4H8N2O3
+ 2.0000 C2H5NO2 = C4H8N2O3 + 1.0000 H2O
-llnl_gamma 3.0
log_k -2.5863
-delta_h +175.640 kcal/mol
-analytic -9.6588e+000 2.9406e-003 -1.1504e+003 3.1397e+000 2.0330e+005
# -Range: 0-300
# Diketopiperazine, C4H6N2O2
+ 2.0000 C2H5NO2 = C4H6N2O2 + 2.0000 H2O
-llnl_gamma 3.0
log_k -4.7063
-delta_h +99.300 kcal/mol
-analytic 3.4352e+000 4.6987e-003 -3.2032e+003 -4.8114e-001 2.1265e+005
# -Range: 0-300
# Dodecanoate, C12H23O2-
+ 6.0000 CH3COOH = C12H23O2- + 5.0000 O2 + 1.0000 H+
-llnl_gamma 4.0
log_k -4.9185
-delta_h -174.04 kcal/mol
-analytic 5.7006e+002 1.0646e-001 -1.5130e+005 -2.0765e+002 3.4121e+006
# -Range: 0-300
# Dodecanoic_acid, C12H24O2
+ 6.0000 CH3COOH = C12H24O2 + 5.0000 O2
-llnl_gamma 3.0
log_k -1228.1689
-delta_h +173.540 kcal/mol
-analytic 6.5537e+002 1.1671e-001 -1.5726e+005 -2.3542e+002 3.8794e+006
# -Range: 0-300
# Ethanamine, C2H5NH2
+ 1.0000 NH3 + 2.0000 HCO3- + 2.0000 H+ = C2H5NH2 + 3.0000 O2
-llnl_gamma 3.0
log_k -223.647
-delta_h +23.830 kcal/mol
-analytic -1.9599E+03 -3.3677E-01 -5.4980E+02 7.4290E+02 -4.9475E-02
# -Range: 0-300
# Ethane, C2H6
+ 1.0000 H2O + 2.0000 HCO3- + 2.0000 H+ = C2H6 + 3.5000 O2
-llnl_gamma 3.0
log_k -254.5034
-delta_h +24.650 kcal/mol
-analytic -2.2475E+03 -3.8473E-01 -5.6009E+02 8.5243E+02 -1.2340E-01
# -Range: 0-300
# Ethanol, C2H5OH
+ 1.0000 H2O + 2.0000 HCO3- + 2.0000 H+ = C2H5OH + 3.0000 O2
-llnl_gamma 3.0
log_k -224.1415
-delta_h +68.650 kcal/mol
-analytic -1.9805E+03 -3.3932E-01 -5.5095E+02 7.5133E+02 -5.5268E-02
# -Range: 0-300
# Ethyne, C2H2
+ 2.0000 HCO3- + 2.0000 H+ = C2H2 + 1.0000 H2O + 2.5000 O2
-llnl_gamma 3.0
log_k -209.3843
-delta_h -50.7 kcal/mol
-analytic -1.8747E+03 -3.1966E-01 -5.4744E+02 7.1215E+02 -3.1389E-02
# -Range: 0-300
# Ethylacetate, CH3COOCH2CH3
+ 1.0000 C2H4 + 1.0000 CH3COOH = CH3COOCH2CH3
-llnl_gamma 3.0
log_k +2.9247
-delta_h +116.840 kcal/mol
-analytic -1.2558e+001 -3.4591e-003 2.2166e+003 3.6667e+000 3.4592e+001
# -Range: 0-300
# Ethylbenzene, C6H5C2H5
# + 4.0000 C6H6 + 3.0000 H2O = C6H5C2H5 + 1.5000 O2
# does not balance
# -llnl_gamma 3.0
# log_k -2256.5242
# -delta_h +2.500 kcal/mol
# -analytic 2.7546e+002 5.0556e-002 -4.5964e+004 -1.0201e+002 8.4857e+005
# -Range: 0-300
# Eu(Ala)+, Eu(C3H6NO2)+
+ 1.0000 Eu+2 + 1.0000 C3H7NO2 = Eu(C3H6NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -9.2139
-delta_h +242.060 kcal/mol
-analytic 1.4058e+001 1.0581e-002 -6.6420e+003 -4.0654e+000 5.2699e+005
# -Range: 0-300
# Eu(Ala)2, Eu(C3H6NO2)2
+ 2.0000 C3H7NO2 + 1.0000 Eu+2 = Eu(C3H6NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -18.7503
-delta_h +358.510 kcal/mol
-analytic 1.3352e+001 7.6973e-003 -1.7130e+004 1.7787e+000 1.6606e+006
# -Range: 0-300
# Eu(But)+, Eu(CH3(CH2)2CO2)+
+ 1.0000 Eu+2 + 1.0000 C3H7COOH = Eu(CH3(CH2)2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -4.538
-delta_h +251.804 kcal/mol
-analytic -1.5879e+001 3.8795e-003 -2.7555e+003 5.4947e+000 5.2007e+005
# -Range: 0-300
# Eu(But)+2, Eu(CH3(CH2)2CO2)+2
+ 1.0000 Eu+3 + 1.0000 C3H7COOH = Eu(CH3(CH2)2CO2)+2 + 1.0000 H+
-llnl_gamma 3.0
log_k -2.048
-delta_h +276.036 kcal/mol
-analytic -9.7855e+000 1.8979e-003 -2.3175e+003 3.4425e+000 5.7272e+005
# -Range: 0-300
# Eu(But)2, Eu(CH3(CH2)2CO2)2
+ 2.0000 C3H7COOH + 1.0000 Eu+2 = Eu(CH3(CH2)2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -9.5254
-delta_h +377.392 kcal/mol
-analytic 1.1271e+001 7.7268e-003 -1.2418e+004 -8.4949e-001 1.8391e+006
# -Range: 0-300
# Eu(But)2+, Eu(CH3(CH2)2CO2)2+
+ 2.0000 C3H7COOH + 1.0000 Eu+3 = Eu(CH3(CH2)2CO2)2+ + 2.0000 H+
-llnl_gamma 3.0
log_k -4.876
-delta_h +405.964 kcal/mol
-analytic -3.4218e+000 7.6886e-003 -6.2895e+003 1.1718e+000 1.2875e+006
# -Range: 0-300
# Eu(For)+, EuCHO2+
+ 1.0000 HCOOH + 1.0000 Eu+2 = EuCHO2+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.353
-delta_h +227.054 kcal/mol
-analytic -3.3218e+000 9.1062e-004 -1.1082e+003 9.9294e-001 1.7476e+005
# -Range: 0-300
# Eu(For)+2, EuCHO2+2
+ 1.0000 HCOOH + 1.0000 Eu+3 = EuCHO2+2 + 1.0000 H+
-llnl_gamma 3.0
log_k -0.9632
-delta_h +249.786 kcal/mol
-analytic 1.3475e+000 -5.3304e-004 -7.1045e+002 -7.9702e-001 1.9639e+005
# -Range: 0-300
# Eu(For)2, Eu(CHO2)2
+ 2.0000 HCOOH + 1.0000 Eu+2 = Eu(CHO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -4.7961
-delta_h +329.314 kcal/mol
-analytic 2.0204e+001 -4.0598e-004 -5.2985e+003 -5.9131e+000 6.6991e+005
# -Range: 0-300
# Eu(For)2+, Eu(CHO2)2+
+ 2.0000 HCOOH + 1.0000 Eu+3 = Eu(CHO2)2+ + 2.0000 H+
-llnl_gamma 3.0
log_k -2.7158
-delta_h +354.544 kcal/mol
-analytic 4.1316e+000 -3.0069e-003 -3.8235e+002 -2.6986e+000 1.7945e+005
# -Range: 0-300
# Eu(Gly)+, Eu(C2H4NO2)+
+ 1.0000 C2H5NO2 + 1.0000 Eu+2 = Eu(C2H4NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -8.1283
-delta_h +234.136 kcal/mol
-analytic -1.3352e+001 7.3561e-003 -3.7321e+003 5.0576e+000 2.7090e+005
# -Range: 0-300
# Eu(Gly)2, Eu(C2H4NO2)2
+ 2.0000 C2H5NO2 + 1.0000 Eu+2 = Eu(C2H4NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -16.5066
-delta_h +342.929 kcal/mol
-analytic 2.6146e+001 1.0368e-002 -1.4175e+004 -4.8232e+000 1.2226e+006
# -Range: 0-300
# Eu(Glyc)+, Eu(CH3OCO2)+
+ 1.0000 C2H4O3 + 1.0000 Eu+2 = Eu(CH3OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.5333
-delta_h +279.938 kcal/mol
-analytic -1.1341e+001 1.8436e-003 -1.7310e+003 4.1823e+000 3.3141e+005
# -Range: 0-300
# Eu(Glyc)2, Eu(CH3OCO2)2
+ 2.0000 C2H4O3 + 1.0000 Eu+2 = Eu(CH3OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -5.757
-delta_h +433.849 kcal/mol
-analytic 2.6027e+000 1.1080e-003 -7.8729e+003 1.8735e+000 1.1647e+006
# -Range: 0-300
# Eu(Lac)+, Eu(CH3CH2OCO2)+
+ 1.0000 C3H6O3 + 1.0000 Eu+2 = Eu(CH3CH2OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.9328
-delta_h +288.803 kcal/mol
-analytic -6.8714e+000 3.8415e-003 -2.4462e+003 2.5210e+000 4.2462e+005
# -Range: 0-300
# Eu(Lac)2, Eu(CH3CH2OCO2)2
+ 2.0000 C3H6O3 + 1.0000 Eu+2 = Eu(CH3CH2OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -6.0656
-delta_h +451.723 kcal/mol
-analytic 1.5690e+000 2.8366e-003 -9.6953e+003 3.0359e+000 1.4716e+006
# -Range: 0-300
# Eu(Pent)+, Eu(CH3(CH2)3CO2)+
+ 1.0000 C4H9COOH + 1.0000 Eu+2 = Eu(CH3(CH2)3CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -4.8569
-delta_h +257.888 kcal/mol
-analytic -1.8827e+001 6.5719e-003 -3.9749e+003 6.8334e+000 7.5209e+005
# -Range: 0-300
# Eu(Pent)+2, Eu(CH3(CH2)3CO2)+2
+ 1.0000 C4H9COOH + 1.0000 Eu+3 = Eu(CH3(CH2)3CO2)+2 + 1.0000 H+
-llnl_gamma 3.0
log_k -2.0773
-delta_h +282.516 kcal/mol
-analytic -3.0633e+001 1.5481e-003 -2.5917e+003 1.1399e+001 7.6469e+005
# -Range: 0-300
# Eu(Pent)2+, Eu(CH3(CH2)3CO2)2+
+ 2.0000 C4H9COOH + 1.0000 Eu+3 = Eu(CH3(CH2)3CO2)2+ + 2.0000 H+
-llnl_gamma 3.0
log_k -4.9441
-delta_h +418.206 kcal/mol
-analytic -3.7682e+001 1.0658e-002 -8.0528e+003 1.4565e+001 1.8292e+006
# -Range: 0-300
# Eu(Prop)+, Eu(CH3CH2CO2)+
+ 1.0000 C2H5COOH + 1.0000 Eu+2 = Eu(CH3CH2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -4.3262
-delta_h +246.872 kcal/mol
-analytic -1.9603e+001 2.7407e-003 -2.2921e+003 6.8757e+000 4.5820e+005
# -Range: 0-300
# Eu(Prop)+2, Eu(CH3CH2CO2)+2
+ 1.0000 C2H5COOH + 1.0000 Eu+3 = Eu(CH3CH2CO2)+2 + 1.0000 H+
-llnl_gamma 3.0
log_k -2.0363
-delta_h +270.831 kcal/mol
-analytic -1.0272e+001 1.5651e-003 -1.9970e+003 3.5396e+000 5.0897e+005
# -Range: 0-300
# Eu(Prop)2, Eu(CH3CH2CO2)2
+ 2.0000 C2H5COOH + 1.0000 Eu+2 = Eu(CH3CH2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -9.3927
-delta_h +367.621 kcal/mol
-analytic 4.1333e-001 5.9591e-003 -1.0532e+004 2.3781e+000 1.5907e+006
# -Range: 0-300
# Eu(Prop)2+, Eu(CH3CH2CO2)2+
+ 2.0000 C2H5COOH + 1.0000 Eu+3 = Eu(CH3CH2CO2)2+ + 2.0000 H+
-llnl_gamma 3.0
log_k -4.8628
-delta_h +396.115 kcal/mol
-analytic -1.7270e+001 4.2004e-003 -4.5560e+003 5.8571e+000 1.0648e+006
# -Range: 0-300
# Fe(Ala)+, Fe(C3H6NO2)+
+ 1.0000 Fe+2 + 1.0000 C3H7NO2 = Fe(C3H6NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -5.4374
-delta_h +145.225 kcal/mol
-analytic -6.8881e-001 4.8406e-003 -4.2771e+003 1.2355e+000 4.5422e+005
# -Range: 0-300
# Fe(Ala)2, Fe(C3H6NO2)2
+ 2.0000 C3H7NO2 + 1.0000 Fe+2 = Fe(C3H6NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -12.0822
-delta_h +268.535 kcal/mol
-analytic 1.0817e+001 7.0057e-003 -1.1636e+004 -9.2499e-002 1.2704e+006
# -Range: 0-300
# Fe(But)+, Fe(CH3(CH2)2CO2)+
+ 1.0000 Fe+2 + 1.0000 C3H7COOH = Fe(CH3(CH2)2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.2003
-delta_h +151.642 kcal/mol
-analytic -1.1468e+001 1.5002e-003 -2.0030e+003 3.6750e+000 4.8551e+005
# -Range: 0-300
# Fe(But)2, Fe(CH3(CH2)2CO2)2
+ 2.0000 C3H7COOH + 1.0000 Fe+2 = Fe(CH3(CH2)2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -6.998
-delta_h +281.765 kcal/mol
-analytic -2.8364e+001 1.7011e-003 -6.1151e+003 1.0670e+001 1.3334e+006
# -Range: 0-300
# Fe(For)+, FeCHO2+
+ 1.0000 HCOOH + 1.0000 Fe+2 = FeCHO2+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.9256
-delta_h +125.651 kcal/mol
-analytic -4.2844e-001 -1.1907e-003 -4.0278e+002 -4.4791e-001 1.1757e+005
# -Range: 0-300
# Fe(For)2, Fe(CHO2)2
+ 2.0000 HCOOH + 1.0000 Fe+2 = Fe(CHO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -4.4889
-delta_h +230.658 kcal/mol
-analytic 2.6286e+000 -3.2750e-003 -8.7717e+002 -2.3516e+000 2.3378e+005
# -Range: 0-300
# Fe(Gly)+, Fe(C2H4NO2)+
+ 1.0000 C2H5NO2 + 1.0000 Fe+2 = Fe(C2H4NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -5.4609
-delta_h +134.682 kcal/mol
-analytic -1.5456e+001 3.9367e-003 -2.4338e+003 5.8876e+000 2.1566e+005
# -Range: 0-300
# Fe(Gly)2, Fe(C2H4NO2)2
+ 2.0000 C2H5NO2 + 1.0000 Fe+2 = Fe(C2H4NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -12.0191
-delta_h +248.527 kcal/mol
-analytic -4.9791e+000 5.5006e-003 -7.9837e+003 3.9747e+000 7.3594e+005
# -Range: 0-300
# Fe(Glyc)+, Fe(CH3OCO2)+
+ 1.0000 C2H4O3 + 1.0000 Fe+2 = Fe(CH3OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.6566
-delta_h +179.149 kcal/mol
-analytic -1.1315e+001 -1.3546e-003 -9.1265e+002 4.0008e+000 2.8737e+005
# -Range: 0-300
# Fe(Glyc)2, Fe(CH3OCO2)2
+ 2.0000 C2H4O3 + 1.0000 Fe+2 = Fe(CH3OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -3.8197
-delta_h +337.416 kcal/mol
-analytic -2.4214e+001 -3.9432e-003 -2.6649e+003 9.0425e+000 7.2466e+005
# -Range: 0-300
# Fe(Lac)+, Fe(CH3CH2OCO2)+
+ 1.0000 C3H6O3 + 1.0000 Fe+2 = Fe(CH3CH2OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.7453
-delta_h +188.437 kcal/mol
-analytic -1.4649e+001 -2.7787e-004 -1.0617e+003 5.0960e+000 3.5122e+005
# -Range: 0-300
# Fe(Lac)2, Fe(CH3CH2OCO2)2
+ 2.0000 C3H6O3 + 1.0000 Fe+2 = Fe(CH3CH2OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -3.9788
-delta_h +355.495 kcal/mol
-analytic -1.6235e+001 -4.1634e-005 -4.7223e+003 6.6708e+000 1.0336e+006
# -Range: 0-300
# Fe(Pent)+, Fe(CH3(CH2)3CO2)+
+ 1.0000 C4H9COOH + 1.0000 Fe+2 = Fe(CH3(CH2)3CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.2802
-delta_h +158.054 kcal/mol
-analytic -2.6685e+001 2.0954e-003 -2.5680e+003 9.5548e+000 6.9089e+005
# -Range: 0-300
# Fe(Pent)2, Fe(CH3(CH2)3CO2)2
+ 2.0000 C4H9COOH + 1.0000 Fe+2 = Fe(CH3(CH2)3CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -7.1571
-delta_h +293.990 kcal/mol
-analytic -4.2465e+001 5.3731e-003 -9.5476e+003 1.7464e+001 2.0055e+006
# -Range: 0-300
# Fe(Prop)+, Fe(CH3CH2CO2)+
+ 1.0000 C2H5COOH + 1.0000 Fe+2 = Fe(CH3CH2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.289
-delta_h +146.301 kcal/mol
-analytic -7.3746e+000 1.6930e-003 -2.0030e+003 2.1641e+000 4.4097e+005
# -Range: 0-300
# Fe(Prop)2, Fe(CH3CH2CO2)2
+ 2.0000 C2H5COOH + 1.0000 Fe+2 = Fe(CH3CH2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -7.1556
-delta_h +271.598 kcal/mol
-analytic -1.9694e+001 2.8321e-003 -5.3596e+003 6.8142e+000 1.1417e+006
# -Range: 0-300
# Formaldehyde, HCHO
+ 1.0000 CH3COOH = HCHO + 0.5000 C2H4 + 0.5000 O2
-llnl_gamma 3.0
log_k -86.5725
-delta_h +33.890 kcal/mol
-analytic 1.3515e+002 2.8915e-002 -2.5168e+004 -4.9725e+001 4.2808e+005
# -Range: 0-300
# Formate, HCOO-
+ 1.0000 HCOOH = HCOO- + 1.0000 H+
-llnl_gamma 3.5
log_k -3.753
-delta_h +101.680 kcal/mol
-analytic -9.4187e+001 -3.4616e-002 1.8918e+003 3.8145e+001 2.9547e+001
# -Range: 0-300
# Formic_acid, HCOOH
HCO3- + H+ 1.0000 = HCOOH + 0.5O2
-llnl_gamma 3.0
log_k -39.0524
-delta_h +101.680 kcal/mol
-analytic -3.4508E+02 -4.9133E-02 -4.9396E+02 1.3024E+02 3.5416E-01
# -Range: 0-300
# Gd(But)+2, Gd(CH3(CH2)2CO2)+2
+ 1.0000 Gd+3 + 1.0000 C3H7COOH = Gd(CH3(CH2)2CO2)+2 + 1.0000 H+
-llnl_gamma 3.0
log_k -2.1778
-delta_h +294.884 kcal/mol
-analytic -9.4460e+000 2.4870e-003 -2.3699e+003 3.2918e+000 5.6419e+005
# -Range: 0-300
# Gd(But)2+, Gd(CH3(CH2)2CO2)2+
+ 2.0000 C3H7COOH + 1.0000 Gd+3 = Gd(CH3(CH2)2CO2)2+ + 2.0000 H+
-llnl_gamma 3.0
log_k -5.1157
-delta_h +424.078 kcal/mol
-analytic -1.4589e+001 7.2722e-003 -5.7356e+003 5.1448e+000 1.2310e+006
# -Range: 0-300
# Gd(For)+2, GdCHO2+2
+ 1.0000 Gd+3 + 1.0000 HCOOH = GdCHO2+2 + 1.0000 H+
-llnl_gamma 3.0
log_k -1.0929
-delta_h +268.634 kcal/mol
-analytic -6.8541e-001 -3.3966e-004 -6.4856e+002 -7.2227e-002 1.8259e+005
# -Range: 0-300
# Gd(For)2+, Gd(CHO2)2+
+ 2.0000 HCOOH + 1.0000 Gd+3 = Gd(CHO2)2+ + 2.0000 H+
-llnl_gamma 3.0
log_k -2.9562
-delta_h +372.659 kcal/mol
-analytic -3.5152e+000 -3.2979e-003 -1.3266e+002 1.3417e-001 1.4806e+005
# -Range: 0-300
# Gd(Pent)+2, Gd(CH3(CH2)3CO2)+2
+ 1.0000 C4H9COOH + 1.0000 Gd+3 = Gd(CH3(CH2)3CO2)+2 + 1.0000 H+
-llnl_gamma 3.0
log_k -2.2071
-delta_h +301.364 kcal/mol
-analytic -2.8290e+001 2.4126e-003 -2.7617e+003 1.0531e+001 7.6352e+005
# -Range: 0-300
# Gd(Pent)2+, Gd(CH3(CH2)3CO2)2+
+ 2.0000 C4H9COOH + 1.0000 Gd+3 = Gd(CH3(CH2)3CO2)2+ + 2.0000 H+
-llnl_gamma 3.0
log_k -5.1846
-delta_h +436.320 kcal/mol
-analytic -5.3965e+001 9.5419e-003 -7.2168e+003 2.0378e+001 1.7572e+006
# -Range: 0-300
# Gd(Prop)+2, GdCH3CH2CO2+2
+ 1.0000 C2H5COOH + 1.0000 Gd+3 = GdCH3CH2CO2+2 + 1.0000 H+
-llnl_gamma 3.0
log_k -2.1763
-delta_h +289.666 kcal/mol
-analytic -1.7869e+001 1.0366e-003 -1.6096e+003 6.2464e+000 4.7496e+005
# -Range: 0-300
# Gd(Prop)2+, Gd(CH3CH2CO2)2+
+ 2.0000 C2H5COOH + 1.0000 Gd+3 = Gd(CH3CH2CO2)2+ + 2.0000 H+
-llnl_gamma 3.0
log_k -5.1127
-delta_h +414.216 kcal/mol
-analytic -4.1151e+001 1.7684e-003 -3.3631e+003 1.4486e+001 9.7618e+005
# -Range: 0-300
# Glutamic_acid, C5H9NO4
+ 2.5000 C2H5NO2 + 0.5000 H2O = C5H9NO4 + 1.5000 NH3 + 0.7500 O2
-llnl_gamma 3.0 3.0
log_k -321.9443
-delta_h +232.000 kcal/mol
-analytic 1.3643e+002 3.2714e-002 -2.5437e+004 -4.8787e+001 7.4165e+005
# -Range: 0-300
# Glutamine, C5H10N2O3
+ 2.5000 C2H5NO2 = C5H10N2O3 + 0.7500 O2 + 0.5000 H2O + 0.5000 NH3
-llnl_gamma 3.0
log_k +2.8622
-delta_h +192.330 kcal/mol
-analytic 8.7755e+001 2.3462e-002 -2.1760e+004 -3.1651e+001 7.0288e+005
# -Range: 0-300
# Glutarate, C5H6O4-2
+ 2.5000 CH3COOH = C5H6O4-2 + 2.0000 H+ + 1.0000 H2O
-llnl_gamma 4.0
log_k -9.7563
-delta_h +224.140 kcal/mol
-analytic -1.3762e+002 -7.5681e-002 1.3347e+003 5.7954e+001 2.0867e+001
# -Range: 0-300
# Glutaric_acid, C5H8O4
+ 2.5000 CH3COOH = C5H8O4 + 1.0000 H2O
-llnl_gamma 3.0
log_k -357.4964
-delta_h +223.440 kcal/mol
-analytic -9.9184e+000 -1.0441e-002 -1.9203e+001 4.2761e+000 -2.9671e-001
# -Range: 0-300
# Glycine, C2H5NO2
+ 1.0000 NH3 + 2.0000 HCO3- + 2.0000 H+ = C2H5NO2 + 1.0000 H2O + 1.5000 O2
-llnl_gamma 3.0
log_k -108.1715
-delta_h +122.846 kcal/mol
-analytic -9.2863E+02 -1.5296E-01 -5.1446E+02 3.5064E+02 2.0391E-01
# -Range: 0-300
# Glycolate, C2H3O3-
+ 1.0000 C2H4O3 = C2H3O3- + 1.0000 H+
-llnl_gamma 4.0
log_k -3.8336
-delta_h +154.700 kcal/mol
-analytic -9.9557e+001 -3.6800e-002 1.9551e+003 4.0462e+001 3.0537e+001
# -Range: 0-300
# Glycolic_acid, C2H4O3
+ 2.0000 HCO3- + 2.0000 H+ = C2H4O3 + 1.5000 O2
-llnl_gamma 3.0
log_k -117.3507
-delta_h +154.890 kcal/mol
-analytic -1.0189E+03 -1.6160E-01 -5.1773E+02 3.8447E+02 1.7876E-01
# -Range: 0-300
# H-Adipate, C6H9O4-
+ 3.0000 CH3COOH = C6H9O4- + 1.0000 H+ + 1.0000 H2O + 0.5000 O2
-llnl_gamma 4.0
log_k -4.4127
-delta_h +227.130 kcal/mol
-analytic -5.8686e+001 -2.8724e-002 -1.0743e+004 2.3135e+001 -1.6761e+002
# -Range: 0-300
# H-Azelate, C9H15O4-
+ 4.5000 CH3COOH = C9H15O4- + 2.0000 O2 + 1.0000 H+ + 1.0000 H2O
-llnl_gamma 4.0
log_k -4.5226
-delta_h +240.970 kcal/mol
-analytic 2.2650e+002 2.5261e-002 -6.2618e+004 -8.1084e+001 1.3566e+006
# -Range: 0-300
# H-Glutarate, C5H7O4-
+ 2.5000 CH3COOH = C5H7O4- + 1.0000 H+ + 1.0000 H2O
-llnl_gamma 4.0
log_k -4.3394
-delta_h +223.570 kcal/mol
-analytic -4.0300e+001 -3.0858e-002 -9.3931e+001 1.7357e+001 -1.4538e+000
# -Range: 0-300
# H-Malonate, C3H3O4-
+ 1.5000 CH3COOH + 1.0000 O2 = C3H3O4- + 1.0000 H+ + 1.0000 H2O
-llnl_gamma 4.0
log_k -2.8513
-delta_h +207.850 kcal/mol
-analytic -5.6715e+000 -3.3611e-002 1.9552e+004 6.4983e+000 3.0509e+002
# -Range: 0-300
# H-Oxalate, C2HO4-
+ 1.5000 O2 + 1.0000 CH3COOH = C2HO4- + 1.0000 H+ + 1.0000 H2O
-llnl_gamma 4.0
log_k -1.2703
-delta_h +195.600 kcal/mol
-analytic 1.3266e+001 -3.3064e-002 2.8427e+004 0.0000e+000 0.0000e+000
# -Range: 0-300
# H-Pimelate, C7H11O4-
+ 3.5000 CH3COOH = C7H11O4- + 1.0000 H+ + 1.0000 H2O + 1.0000 O2
-llnl_gamma 4.0
log_k -4.486
-delta_h +234.040 kcal/mol
-analytic -7.7415e+001 -2.6046e-002 -2.0605e+004 2.8981e+001 -3.2150e+002
# -Range: 0-300
# H-Sebacate, C10H17O4-
+ 5.0000 CH3COOH = C10H17O4- + 2.5000 O2 + 1.0000 H+ + 1.0000 H2O
-llnl_gamma 4.0
log_k -4.5446
-delta_h +246.230 kcal/mol
-analytic -1.5704e+002 -1.8900e-002 -5.1105e+004 5.4466e+001 -7.9740e+002
# -Range: 0-300
# H-Suberate, C8H13O4-
+ 4.0000 CH3COOH = C8H13O4- + 1.5000 O2 + 1.0000 H+ + 1.0000 H2O
-llnl_gamma 4.0
log_k -4.508
-delta_h +238.130 kcal/mol
-analytic -1.0933e+002 -2.4139e-002 -3.0563e+004 3.9365e+001 -4.7687e+002
# -Range: 0-300
# H-Succinate, C4H5O4-
+ 2.0000 CH3COOH + 0.5000 O2 = C4H5O4- + 1.0000 H+ + 1.0000 H2O
-llnl_gamma 4.0
log_k -4.2075
-delta_h +217.350 kcal/mol
-analytic -3.0274e+001 -3.3174e-002 1.0329e+004 1.4429e+001 1.6118e+002
# -Range: 0-300
# HO2-, HO2-
+ 1.0000 H2O + 0.5000 O2 = HO2- + 1.0000 H+
-llnl_gamma 4.0
log_k -28.3019
-delta_h +38.320 kcal/mol
-analytic -4.1095e+001 -3.1617e-002 -7.2259e+003 1.8765e+001 -1.1274e+002
# -Range: 0-300
# Heptanal, CH3(CH2)5CHO
+ 2.5000 C2H4 + 1.0000 CH3COOH = CH3(CH2)5CHO + 0.5000 O2
-llnl_gamma 3.0
log_k -733.0243
-delta_h +77.010 kcal/mol
-analytic -4.4470e+001 -1.5235e-002 -2.8387e+003 1.5763e+001 -4.4282e+001
# -Range: 0-300
# Heptanoate, C6H13COO-
+ 3.5000 CH3COOH = C6H13COO- + 2.5000 O2 + 1.0000 H+
-llnl_gamma 4.0
log_k -4.8928
-delta_h +145.620 kcal/mol
-analytic -2.3984e+002 -2.7315e-002 -4.6686e+004 8.5594e+001 -7.2843e+002
# -Range: 0-300
# Heptanoic_acid, C6H13COOH
+ 3.5000 CH3COOH = C6H13COOH + 2.5000 O2
-llnl_gamma 3.0
log_k -684.8753
-delta_h +145.080 kcal/mol
-analytic 4.8292e+002 8.0059e-002 -8.7380e+004 -1.7349e+002 2.4625e+006
# -Range: 0-300
# Hexanal, CH3(CH2)4CHO
+ 2.0000 C2H4 + 1.0000 CH3COOH = CH3(CH2)4CHO + 0.5000 O2
-llnl_gamma 3.0
log_k -623.3863
-delta_h +72.650 kcal/mol
-analytic -3.3617e+001 -1.0435e-002 -4.8410e+003 1.1629e+001 -7.5530e+001
# -Range: 0-300
# Hexanoate, C5H11COO-
+ 3.0000 CH3COOH = C5H11COO- + 2.0000 O2 + 1.0000 H+
-llnl_gamma 4.0
log_k -4.8599
-delta_h +139.870 kcal/mol
-analytic -2.1318e+002 -2.9283e-002 -3.6871e+004 7.6955e+001 -5.7527e+002
# -Range: 0-300
# Hexanoic_acid, C5H11COOH
+ 3.0000 CH3COOH = C5H11COOH + 2.0000 O2
-llnl_gamma 3.0
log_k -576.2928
-delta_h +139.290 kcal/mol
-analytic 1.1076e+002 2.5510e-002 -5.4376e+004 -3.9703e+001 1.0632e+006
# -Range: 0-300
# Isoleucine, C6H13NO2
+ 3.0000 C2H5NO2 + 2.0000 H2O = C6H13NO2 + 3.0000 O2 + 2.0000 NH3
-llnl_gamma 3.0
log_k +0.1466
-delta_h +150.900 kcal/mol
-analytic -2.8273e+002 -1.9351e-003 -5.4209e+004 1.0027e+002 -8.4579e+002
# -Range: 0-300
# K(But), K(CH3(CH2)2CO2)
+ 1.0000 K+ + 1.0000 C3H7COOH = K(CH3(CH2)2CO2) + 1.0000 H+
-llnl_gamma 3.0
log_k -4.8078
-delta_h +187.401 kcal/mol
-analytic 1.3634e+001 -2.1745e-003 -3.9995e+003 -3.9841e+000 4.8796e+005
# -Range: 0-300
# K(But)2-, K(CH3(CH2)2CO2)2-
+ 2.0000 C3H7COOH + 1.0000 K+ = K(CH3(CH2)2CO2)2- + 2.0000 H+
-llnl_gamma 3.0
log_k -9.9359
-delta_h +316.310 kcal/mol
-analytic 5.5776e+001 -3.5589e-003 -1.2872e+004 -1.6024e+001 1.6171e+006
# -Range: 0-300
# K(For), K(CHO2)
+ 1.0000 K+ + 1.0000 HCOOH = K(CHO2) + 1.0000 H+
-llnl_gamma 3.0
log_k -3.7229
-delta_h +161.151 kcal/mol
-analytic -2.4221e+000 -7.5713e-003 -6.7114e+002 1.2963e+000 -1.0472e+001
# -Range: 0-300
# K(For)2-, K(CHO2)2-
+ 2.0000 HCOOH + 1.0000 K+ = K(CHO2)2- + 2.0000 H+
-llnl_gamma 3.0
log_k -7.7757
-delta_h +264.561 kcal/mol
-analytic -1.0611e+002 -3.9682e-002 2.1061e+003 4.1665e+001 3.2895e+001
# -Range: 0-300
# K(Glyc), K(CH3OCO2)
+ 1.0000 K+ + 1.0000 C2H4O3 = K(CH3OCO2) + 1.0000 H+
-llnl_gamma 3.0
log_k -3.8036
-delta_h +214.171 kcal/mol
-analytic 2.8123e+001 -1.9061e-003 -3.6027e+003 -9.1691e+000 3.0378e+005
# -Range: 0-300
# K(Glyc)2-, K(CH3OCO2)2-
+ 2.0000 C2H4O3 + 1.0000 K+ = K(CH3OCO2)2- + 2.0000 H+
-llnl_gamma 3.0
log_k -7.7471
-delta_h +370.519 kcal/mol
-analytic -2.2646e+002 -4.8542e-002 6.8259e+003 8.4988e+001 1.0658e+002
# -Range: 0-300
# K(Lac), K(CH3CH2OCO2)
+ 1.0000 C3H6O3 + 1.0000 K+ = K(CH3CH2OCO2) + 1.0000 H+
-llnl_gamma 3.0
log_k -3.8329
-delta_h +223.541 kcal/mol
-analytic 1.4972e+001 -3.2999e-003 -3.4489e+003 -4.1956e+000 3.6756e+005
# -Range: 0-300
# K(Lac)2-, K(CH3CH2OCO2)2-
+ 2.0000 C3H6O3 + 1.0000 K+ = K(CH3CH2OCO2)2- + 2.0000 H+
-llnl_gamma 3.0
log_k -7.7955
-delta_h +388.842 kcal/mol
-analytic 3.7819e+001 -9.5803e-003 -1.0074e+004 -9.1771e+000 1.2221e+006
# -Range: 0-300
# K(Pent), K(CH3(CH2)3CO2)
+ 1.0000 C4H9COOH + 1.0000 K+ = K(CH3(CH2)3CO2) + 1.0000 H+
-llnl_gamma 3.0
log_k -4.8371
-delta_h +193.881 kcal/mol
-analytic 1.1271e+001 -4.4936e-004 -5.4272e+003 -2.5193e+000 7.5365e+005
# -Range: 0-300
# K(Pent)2-, K(CH3(CH2)3CO2)2-
+ 2.0000 C4H9COOH + 1.0000 K+ = K(CH3(CH2)3CO2)2- + 2.0000 H+
-llnl_gamma 3.0
log_k -10.0041
-delta_h +328.765 kcal/mol
-analytic 7.8715e+000 -1.1792e-003 -1.3479e+004 1.7870e+000 2.0708e+006
# -Range: 0-300
# K(Prop), KCH3CH2CO2
+ 1.0000 C2H5COOH + 1.0000 K+ = KCH3CH2CO2 + 1.0000 H+
-llnl_gamma 3.0
log_k -4.8664
-delta_h +182.101 kcal/mol
-analytic 1.1437e+001 -2.2439e-003 -3.4860e+003 -3.4282e+000 4.0460e+005
# -Range: 0-300
# K(Prop)2-, K(CH3CH2CO2)2-
+ 2.0000 C2H5COOH + 1.0000 K+ = K(CH3CH2CO2)2- + 2.0000 H+
-llnl_gamma 3.0
log_k -10.0429
-delta_h +306.125 kcal/mol
-analytic 3.7431e+001 -9.1342e-003 -1.1368e+004 -9.1819e+000 1.4324e+006
# -Range: 0-300
# La(But)+2, La(CH3(CH2)2CO2)+2
+ 1.0000 La+3 + 1.0000 C3H7COOH = La(CH3(CH2)2CO2)+2 + 1.0000 H+
-llnl_gamma 3.0
log_k -2.2078
-delta_h +300.593 kcal/mol
-analytic -1.2213e+001 7.6865e-004 -2.3803e+003 4.5583e+000 5.7748e+005
# -Range: 0-300
# La(But)2+, La(CH3(CH2)2CO2)2+
+ 2.0000 C3H7COOH + 1.0000 La+3 = La(CH3(CH2)2CO2)2+ + 2.0000 H+
-llnl_gamma 3.0
log_k -5.1758
-delta_h +430.176 kcal/mol
-analytic -2.7187e+001 3.6155e-003 -5.1320e+003 9.9375e+000 1.2081e+006
# -Range: 0-300
# La(For)+2, La(CHO2)+2
+ 1.0000 La+3 + 1.0000 HCOOH = La(CHO2)+2 + 1.0000 H+
-llnl_gamma 3.0
log_k -1.123
-delta_h +274.343 kcal/mol
-analytic 2.4425e+000 -1.1728e-003 -9.7383e+002 -9.4604e-001 2.1308e+005
# -Range: 0-300
# La(For)2+, La(CHO2)2+
+ 2.0000 HCOOH + 1.0000 La+3 = La(CHO2)2+ + 2.0000 H+
-llnl_gamma 3.0
log_k -3.0163
-delta_h +378.757 kcal/mol
-analytic 1.4193e+001 -2.4396e-003 -1.1566e+003 -6.0653e+000 2.1470e+005
# -Range: 0-300
# La(Pent)+2, La(CH3(CH2)3CO2)+2
+ 1.0000 C4H9COOH + 1.0000 La+3 = La(CH3(CH2)3CO2)+2 + 1.0000 H+
-llnl_gamma 3.0
log_k -2.2371
-delta_h +307.073 kcal/mol
-analytic -2.4830e+001 1.6328e-003 -3.1022e+003 9.5351e+000 7.9458e+005
# -Range: 0-300
# La(Pent)2+, La(CH3(CH2)3CO2)2+
+ 2.0000 C4H9COOH + 1.0000 La+3 = La(CH3(CH2)3CO2)2+ + 2.0000 H+
-llnl_gamma 3.0
log_k -5.2447
-delta_h +442.418 kcal/mol
-analytic -4.1413e+001 9.3380e-003 -8.0438e+003 1.6147e+001 1.8186e+006
# -Range: 0-300
# La(Prop)+2, La(CH3CH2CO2)+2
+ 1.0000 C2H5COOH + 1.0000 La+3 = La(CH3CH2CO2)+2 + 1.0000 H+
-llnl_gamma 3.0
log_k -2.3764
-delta_h +295.142 kcal/mol
-analytic -8.7100e+000 9.9977e-004 -2.3370e+003 3.2191e+000 5.2671e+005
# -Range: 0-300
# La(Prop)2+, La(CH3CH2CO2)2+
+ 2.0000 C2H5COOH + 1.0000 La+3 = La(CH3CH2CO2)2+ + 2.0000 H+
-llnl_gamma 3.0
log_k -5.4829
-delta_h +419.891 kcal/mol
-analytic -1.7985e+001 3.2712e-003 -4.8213e+003 6.3648e+000 1.0652e+006
# -Range: 0-300
# Lactate, C3H5O3-
+ 1.0000 C3H6O3 = C3H5O3- + 1.0000 H+
-llnl_gamma 4.0
log_k -3.8629
-delta_h +164.070 kcal/mol
-analytic -8.2814e+001 -3.2149e-002 1.5440e+003 3.3680e+001 2.4117e+001
# -Range: 0-300
# Lactic_acid, C3H6O3
+ 3.0000 HCO3- + 3.0000 H+ = C3H6O3 + 3.0000 O2
-llnl_gamma 3.0
log_k -223.4996
-delta_h +164.000 kcal/mol
-analytic -1.9621E+03 -3.2360E-01 -5.5305E+02 7.4225E+02 -2.0548E-01
# -Range: 0-300
# Leucine, C6H13NO2
+ 3.0000 C2H5NO2 + 2.0000 H2O = C6H13NO2 + 3.0000 O2 + 2.0000 NH3
-llnl_gamma 3.0
log_k -541.723
-delta_h +151.070 kcal/mol
-analytic 2.4561e+002 6.5239e-002 -8.6593e+004 -8.7114e+001 2.1100e+006
# -Range: 0-300
# Leucylglycine, C8H16N2O3
+ 4.0000 C2H5NO2 + 1.0000 H2O = C8H16N2O3 + 3.0000 O2 + 2.0000 NH3
-llnl_gamma 3.0
log_k -652.321
-delta_h +202.660 kcal/mol
-analytic -3.3759e+002 -5.6274e-003 -5.2689e+004 1.1979e+002 -8.2207e+002
# -Range: 0-300
# Malonate, C3H2O4-2
+ 1.5000 CH3COOH + 1.0000 O2 = C3H2O4-2 + 2.0000 H+ + 1.0000 H2O
-llnl_gamma 4.0
log_k -2.8513
-delta_h +207.850 kcal/mol
-analytic -9.9824e+001 -7.7578e-002 2.0986e+004 4.5594e+001 3.2750e+002
# -Range: 0-300
# Malonic_acid, C3H4O4
+ 3.0000 HCO3- + 3.0000 H+ = C3H4O4 + 2.0000 O2 + 1.0000 H2O
-llnl_gamma 3.0
log_k -144.1431
-delta_h +207.870 kcal/mol
-analytic -1.2631E+03 -1.9613E-01 -5.2873E+02 4.7649E+02 -3.1921E-02
# -Range: 0-300
# Methanamine, CH3NH2
+ 0.5000 NH3 + 0.5000 C2H5NH2 = CH3NH2
-llnl_gamma 3.0
log_k -3.7248
-delta_h +16.320 kcal/mol
-analytic 3.6212e+000 9.9672e-004 -1.2549e+003 -1.3879e+000 -1.9583e+001
# -Range: 0-300
# Methanol, CH3OH
+ 0.5000 H2O + 0.5000 C2H5OH = CH3OH
-llnl_gamma 3.0
log_k -5.8339
-delta_h +58.870 kcal/mol
-analytic 1.0292e+001 2.0369e-003 -2.3980e+003 -3.5121e+000 -3.7422e+001
# -Range: 0-300
# Methionine, C5H11NO2S
2.5000 C2H5NO2 + 1.0000 HS- + 1.0000 H+ + 0.5000 H2O = C5H11NO2S + 1.7500 O2 + 1.5000 NH3
-llnl_gamma 3.0
log_k -499.7659
-delta_h +177.600 kcal/mol
-analytic -8.0509e+001 3.4730e-002 -2.3107e+004 2.2907e+001 -3.6054e+002
# -Range: 0-300
# Mg(Ala)+, Mg(C3H6NO2)+
+ 1.0000 Mg+2 + 1.0000 C3H7NO2 = Mg(C3H6NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -8.4047
-delta_h +231.745 kcal/mol
-analytic 3.2275e+000 3.8767e-003 -5.7267e+003 1.9424e-001 5.2913e+005
# -Range: 0-300
# Mg(Ala)2, Mg(C3H6NO2)2
+ 2.0000 C3H7NO2 + 1.0000 Mg+2 = Mg(C3H6NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -17.4998
-delta_h +352.641 kcal/mol
-analytic -2.6461e+000 5.2729e-003 -1.2622e+004 4.5793e+000 1.2982e+006
# -Range: 0-300
# Mg(But)+, Mg(CH3(CH2)2CO2)+
+ 1.0000 Mg+2 + 1.0000 C3H7COOH = Mg(CH3(CH2)2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -4.2778
-delta_h +240.741 kcal/mol
-analytic -2.1041e+000 1.4633e-003 -3.1485e+003 6.1810e-001 5.7229e+005
# -Range: 0-300
# Mg(But)2, Mg(CH3(CH2)2CO2)2
+ 2.0000 C3H7COOH + 1.0000 Mg+2 = Mg(CH3(CH2)2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -8.9654
-delta_h +370.578 kcal/mol
-analytic -2.8906e+001 1.7817e-003 -6.7997e+003 1.0694e+001 1.4036e+006
# -Range: 0-300
# Mg(For)+, Mg(CHO2)+
+ 1.0000 Mg+2 + 1.0000 HCOOH = Mg(CHO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.3229
-delta_h +215.678 kcal/mol
-analytic -3.9514e+000 -2.8298e-003 -5.6302e+002 1.0614e+000 1.5474e+005
# -Range: 0-300
# Mg(For)2, Mg(CHO2)2
+ 2.0000 HCOOH + 1.0000 Mg+2 = Mg(CHO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -5.2058
-delta_h +321.177 kcal/mol
-analytic -1.9131e+001 -6.0693e-003 4.0785e+001 5.2661e+000 2.2927e+005
# -Range: 0-300
# Mg(Gly)+, Mg(C2H4NO2)+
+ 1.0000 Mg+2 + 1.0000 C2H5NO2 = Mg(C2H4NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -6.328
-delta_h +225.174 kcal/mol
-analytic 2.0689e+001 7.1872e-003 -4.9739e+003 -6.9062e+000 4.1092e+005
# -Range: 0-300
# Mg(Gly)2, Mg(C2H4NO2)2
+ 2.0000 C2H5NO2 + 1.0000 Mg+2 = Mg(C2H4NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -13.0966
-delta_h +340.003 kcal/mol
-analytic -2.1284e+000 6.2771e-003 -8.3120e+003 2.3697e+000 8.1724e+005
# -Range: 0-300
# Mg(Glyc)+, Mg(CH3OCO2)+
+ 1.0000 Mg+2 + 1.0000 C2H4O3 = Mg(CH3OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.5039
-delta_h +266.450 kcal/mol
-analytic 4.1719e+000 4.8995e-004 -2.4071e+003 -1.0943e+000 3.5295e+005
# -Range: 0-300
# Mg(Glyc)2, Mg(CH3OCO2)2
+ 2.0000 C2H4O3 + 1.0000 Mg+2 = Mg(CH3OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -5.3671
-delta_h +424.040 kcal/mol
-analytic 1.1456e+001 1.9693e-003 -5.4799e+003 -3.5701e+000 8.7339e+005
# -Range: 0-300
# Mg(Lac)+, Mg(CH3CH2OCO2)+
+ 1.0000 Mg+2 + 1.0000 C3H6O3 = Mg(CH3CH2OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.493
-delta_h +274.593 kcal/mol
-analytic -5.8138e+000 4.6550e-004 -2.3971e+003 2.7483e+000 3.9437e+005
# -Range: 0-300
# Mg(Lac)2, Mg(CH3CH2OCO2)2
+ 2.0000 C3H6O3 + 1.0000 Mg+2 = Mg(CH3CH2OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -5.3356
-delta_h +440.700 kcal/mol
-analytic -9.2240e+000 7.2412e-004 -6.4088e+003 5.1184e+000 1.1140e+006
# -Range: 0-300
# Mg(Pent)+, Mg(CH3(CH2)3CO2)+
+ 1.0000 C4H9COOH + 1.0000 Mg+2 = Mg(CH3(CH2)3CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -4.5571
-delta_h +246.880 kcal/mol
-analytic -2.6885e+001 6.6381e-004 -3.2502e+003 9.9565e+000 7.4821e+005
# -Range: 0-300
# Mg(Pent)2, Mg(CH3(CH2)3CO2)2
+ 2.0000 C4H9COOH + 1.0000 Mg+2 = Mg(CH3(CH2)3CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -9.4844
-delta_h +382.313 kcal/mol
-analytic -3.1213e+001 7.2244e-003 -1.0963e+004 1.3204e+001 2.1088e+006
# -Range: 0-300
# Mg(Prop)+, Mg(CH3CH2CO2)+
+ 1.0000 C2H5COOH + 1.0000 Mg+2 = Mg(CH3CH2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -4.1767
-delta_h +235.660 kcal/mol
-analytic -1.5671e+001 -6.7187e-004 -2.0570e+003 5.4098e+000 4.6452e+005
# -Range: 0-300
# Mg(Prop)2, Mg(CH3CH2CO2)2
+ 2.0000 C2H5COOH + 1.0000 Mg+2 = Mg(CH3CH2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -8.7726
-delta_h +360.889 kcal/mol
-analytic -1.3652e+001 3.8826e-003 -6.2937e+003 4.4524e+000 1.2312e+006
# -Range: 0-300
# Mn(Ala)+, Mn(C3H6NO2)+
+ 1.0000 Mn+2 + 1.0000 C3H7NO2 = Mn(C3H6NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -7.1248
-delta_h +173.180 kcal/mol
-analytic -6.0922e+000 5.5095e-003 -4.5521e+003 3.1202e+000 4.3437e+005
# -Range: 0-300
# Mn(Ala)2, Mn(C3H6NO2)2
+ 2.0000 C3H7NO2 + 1.0000 Mn+2 = Mn(C3H6NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -14.6792
-delta_h +294.245 kcal/mol
-analytic -5.0476e-001 5.7769e-003 -1.2737e+004 4.7857e+000 1.3339e+006
# -Range: 0-300
# Mn(But)+, Mn(CH3(CH2)2CO2)+
+ 1.0000 Mn+2 + 1.0000 C3H7COOH = Mn(CH3(CH2)2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.6079
-delta_h +181.344 kcal/mol
-analytic -1.6910e+001 1.9388e-003 -1.9552e+003 5.6484e+000 4.7316e+005
# -Range: 0-300
# Mn(But)2, Mn(CH3(CH2)2CO2)2
+ 2.0000 C3H7COOH + 1.0000 Mn+2 = Mn(CH3(CH2)2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -7.7354
-delta_h +310.012 kcal/mol
-analytic -1.8458e+001 3.5123e-003 -7.8343e+003 7.8894e+000 1.4636e+006
# -Range: 0-300
# Mn(For)+, Mn(CHO2)+
+ 1.0000 Mn+2 + 1.0000 HCOOH = Mn(CHO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.0532
-delta_h +155.735 kcal/mol
-analytic -5.7235e+000 -8.3722e-004 -3.0900e+002 1.5086e+000 1.0934e+005
# -Range: 0-300
# Mn(For)2, Mn(CHO2)2
+ 2.0000 HCOOH + 1.0000 Mn+2 = Mn(CHO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -4.7162
-delta_h +259.601 kcal/mol
-analytic 1.2827e+001 -1.4127e-003 -2.4571e+003 -5.2411e+000 3.6438e+005
# -Range: 0-300
# Mn(Gly)+, Mn(C2H4NO2)+
+ 1.0000 Mn+2 + 1.0000 C2H5NO2 = Mn(C2H4NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -6.1184
-delta_h +165.803 kcal/mol
-analytic 1.2891e+001 8.7151e-003 -4.1826e+003 -4.5776e+000 3.3412e+005
# -Range: 0-300
# Mn(Gly)2, Mn(C2H4NO2)2
+ 2.0000 C2H5NO2 + 1.0000 Mn+2 = Mn(C2H4NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -12.9266
-delta_h +278.847 kcal/mol
-analytic -8.9549e+000 5.6683e-003 -8.5407e+003 5.5548e+000 8.2286e+005
# -Range: 0-300
# Mn(Glyc)+, Mn(CH3OCO2)+
+ 1.0000 Mn+2 + 1.0000 C2H4O3 = Mn(CH3OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.2518
-delta_h +208.594 kcal/mol
-analytic -7.3237e+000 7.7086e-004 -1.3628e+003 2.4657e+000 2.9532e+005
# -Range: 0-300
# Mn(Glyc)2, Mn(CH3OCO2)2
+ 2.0000 C2H4O3 + 1.0000 Mn+2 = Mn(CH3OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -5.2373
-delta_h +364.736 kcal/mol
-analytic -1.7505e+001 -1.6628e-003 -4.1763e+003 7.1162e+000 8.1623e+005
# -Range: 0-300
# Mn(Lac)+, Mn(CH3CH2OCO2)+
+ 1.0000 Mn+2 + 1.0000 C3H6O3 = Mn(CH3CH2OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.4328
-delta_h +217.756 kcal/mol
-analytic -1.6464e+001 7.1558e-004 -1.2885e+003 5.7494e+000 3.4911e+005
# -Range: 0-300
# Mn(Lac)2, Mn(CH3CH2OCO2)2
+ 2.0000 C3H6O3 + 1.0000 Mn+2 = Mn(CH3CH2OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -5.2256
-delta_h +383.047 kcal/mol
-analytic -1.8030e+001 1.4926e-004 -5.9277e+003 8.0913e+000 1.1243e+006
# -Range: 0-300
# Mn(Pent)+, Mn(CH3(CH2)3CO2)+
+ 1.0000 C4H9COOH + 1.0000 Mn+2 = Mn(CH3(CH2)3CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.7669
-delta_h +187.646 kcal/mol
-analytic -3.1330e+001 2.7885e-003 -2.5476e+003 1.1193e+001 6.7589e+005
# -Range: 0-300
# Mn(Pent)2, Mn(CH3(CH2)3CO2)2
+ 2.0000 C4H9COOH + 1.0000 Mn+2 = Mn(CH3(CH2)3CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -8.044
-delta_h +322.033 kcal/mol
-analytic -2.1011e+001 8.8159e-003 -1.1958e+004 1.0527e+001 2.1730e+006
# -Range: 0-300
# Mn(Prop)+, Mn(CH3CH2CO2)+
+ 1.0000 C2H5COOH + 1.0000 Mn+2 = Mn(CH3CH2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.6167
-delta_h +176.112 kcal/mol
-analytic -5.3912e+000 3.1110e-003 -2.3654e+003 1.4872e+000 4.5498e+005
# -Range: 0-300
# Mn(Prop)2, Mn(CH3CH2CO2)2
+ 2.0000 C2H5COOH + 1.0000 Mn+2 = Mn(CH3CH2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -7.753
-delta_h +300.037 kcal/mol
-analytic -5.4193e+000 5.1920e-003 -7.3047e+003 2.4858e+000 1.2892e+006
# -Range: 0-300
# Na(But), Na(CH3(CH2)2CO2)
+ 1.0000 Na+ + 1.0000 C3H7COOH = Na(CH3(CH2)2CO2) + 1.0000 H+
-llnl_gamma 3.0
log_k -4.788
-delta_h +185.529 kcal/mol
-analytic 1.1463e+001 -1.9756e-003 -3.8987e+003 -3.3969e+000 5.1852e+005
# -Range: 0-300
# Na(But)2-, Na(CH3(CH2)2CO2)2-
+ 2.0000 C3H7COOH + 1.0000 Na+ = Na(CH3(CH2)2CO2)2- + 2.0000 H+
-llnl_gamma 3.0
log_k -9.8956
-delta_h +315.475 kcal/mol
-analytic 2.9605e+001 -9.5353e-003 -1.2859e+004 -5.5837e+000 1.8051e+006
# -Range: 0-300
# Na(For), Na(CHO2)
+ 1.0000 Na+ + 1.0000 HCOOH = Na(CHO2) + 1.0000 H+
-llnl_gamma 3.0
log_k -3.7031
-delta_h +159.279 kcal/mol
-analytic 1.9556e+001 -4.0171e-003 -1.9403e+003 -6.7907e+000 1.1139e+005
# -Range: 0-300
# Na(For)2-, Na(CHO2)2-
+ 2.0000 HCOOH + 1.0000 Na+ = Na(CHO2)2- + 2.0000 H+
-llnl_gamma 3.0
log_k -7.7362
-delta_h +263.725 kcal/mol
-analytic -1.6907e+002 -4.9200e-002 4.7499e+003 6.4687e+001 7.4168e+001
# -Range: 0-300
# Na(Glyc), Na(CH3OCO2)
+ 1.0000 Na+ + 1.0000 C2H4O3 = Na(CH3OCO2) + 1.0000 H+
-llnl_gamma 3.0
log_k -3.7838
-delta_h +212.299 kcal/mol
-analytic 6.5651e+000 -4.5298e-003 -2.4464e+003 -1.5701e+000 2.7550e+005
# -Range: 0-300
# Na(Glyc)2-, Na(CH3OCO2)2-
+ 2.0000 C2H4O3 + 1.0000 Na+ = Na(CH3OCO2)2- + 2.0000 H+
-llnl_gamma 3.0
log_k -7.7076
-delta_h +369.684 kcal/mol
-analytic -2.9181e+002 -5.8674e-002 9.4836e+003 1.0904e+002 1.4807e+002
# -Range: 0-300
# Na(Lac), Na(CH3CH2OCO2)
+ 1.0000 Na+ + 1.0000 C3H6O3 = Na(CH3CH2OCO2) + 1.0000 H+
-llnl_gamma 3.0
log_k -3.8131
-delta_h +221.669 kcal/mol
-analytic -8.9871e+000 -6.2002e-003 -2.1368e+003 4.2449e+000 3.2856e+005
# -Range: 0-300
# Na(Lac)2-, Na(CH3CH2OCO2)2-
+ 2.0000 C3H6O3 + 1.0000 Na+ = Na(CH3CH2OCO2)2- + 2.0000 H+
-llnl_gamma 3.0
log_k -7.7559
-delta_h +388.006 kcal/mol
-analytic 5.9524e+001 -8.7468e-003 -1.2721e+004 -1.5993e+001 1.5628e+006
# -Range: 0-300
# Na(Pent), Na(CH3(CH2)3CO2)
+ 1.0000 C4H9COOH + 1.0000 Na+ = Na(CH3(CH2)3CO2) + 1.0000 H+
-llnl_gamma 3.0
log_k -4.8173
-delta_h +192.009 kcal/mol
-analytic 8.1540e+000 -4.2441e-004 -5.2875e+003 -1.5765e+000 7.8307e+005
# -Range: 0-300
# Na(Pent)2-, Na(CH3(CH2)3CO2)2-
+ 2.0000 C4H9COOH + 1.0000 Na+ = Na(CH3(CH2)3CO2)2- + 2.0000 H+
-llnl_gamma 3.0
log_k -9.9645
-delta_h +327.929 kcal/mol
-analytic 3.8577e+001 7.5820e-004 -1.6661e+004 -8.2211e+000 2.4438e+006
# -Range: 0-300
# Na(Prop), Na(CH3CH2CO2)
+ 1.0000 C2H5COOH + 1.0000 Na+ = Na(CH3CH2CO2) + 1.0000 H+
-llnl_gamma 3.0
log_k -4.8466
-delta_h +180.229 kcal/mol
-analytic 1.7028e+000 -3.1352e-003 -2.9697e+003 -1.0967e-001 4.1170e+005
# -Range: 0-300
# Na(Prop)2-, Na(CH3CH2CO2)2-
+ 2.0000 C2H5COOH + 1.0000 Na+ = Na(CH3CH2CO2)2- + 2.0000 H+
-llnl_gamma 3.0
log_k -10.0026
-delta_h +305.289 kcal/mol
-analytic 6.6077e+001 -6.9347e-003 -1.4292e+004 -1.8630e+001 1.7811e+006
# -Range: 0-300
# Ni(Ala)+, Ni(C3H6NO2)+
+ 1.0000 Ni+2 + 1.0000 C3H7NO2 = Ni(C3H6NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -4.5249
-delta_h +137.131 kcal/mol
-analytic 1.1604e+000 4.6374e-003 -4.1009e+003 7.4132e-001 4.3245e+005
# -Range: 0-300
# Ni(Ala)2, Ni(C3H6NO2)2
+ 2.0000 C3H7NO2 + 1.0000 Ni+2 = Ni(C3H6NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -10.2291
-delta_h +262.972 kcal/mol
-analytic 3.1888e+001 9.4817e-003 -1.1655e+004 -8.0444e+000 1.2513e+006
# -Range: 0-300
# Ni(But)+, Ni(CH3(CH2)2CO2)+
+ 1.0000 Ni+2 + 1.0000 C3H7COOH = Ni(CH3(CH2)2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.0676
-delta_h +143.687 kcal/mol
-analytic -1.1210e+001 7.7237e-004 -1.8584e+003 3.5695e+000 4.7362e+005
# -Range: 0-300
# Ni(But)2, Ni(CH3(CH2)2CO2)2
+ 2.0000 C3H7COOH + 1.0000 Ni+2 = Ni(CH3(CH2)2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -6.7459
-delta_h +274.625 kcal/mol
-analytic -3.4716e+000 4.8213e-003 -6.7033e+003 1.1666e+000 1.3261e+006
# -Range: 0-300
# Ni(For)+, Ni(CHO2)+
+ 1.0000 Ni+2 + 1.0000 HCOOH = Ni(CHO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.8831
-delta_h +117.573 kcal/mol
-analytic -4.4750e-001 -1.7720e-003 -2.1850e+002 -5.1560e-001 9.8346e+004
# -Range: 0-300
# Ni(For)2, Ni(CHO2)2
+ 2.0000 HCOOH + 1.0000 Ni+2 = Ni(CHO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -4.4061
-delta_h +223.287 kcal/mol
-analytic -1.1886e+001 -5.7362e-003 6.8286e+002 2.3397e+000 9.9533e+004
# -Range: 0-300
# Ni(Gly)+, Ni(C2H4NO2)+
+ 1.0000 Ni+2 + 1.0000 C2H5NO2 = Ni(C2H4NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.6482
-delta_h +129.289 kcal/mol
-analytic -4.6499e+000 4.5579e-003 -2.3704e+003 1.9662e+000 2.4331e+005
# -Range: 0-300
# Ni(Gly)2, Ni(C2H4NO2)2
+ 2.0000 C2H5NO2 + 1.0000 Ni+2 = Ni(C2H4NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -8.5065
-delta_h +246.055 kcal/mol
-analytic 7.2186e-001 5.9661e-003 -6.4762e+003 1.3110e+000 6.6544e+005
# -Range: 0-300
# Ni(Glyc)+, Ni(CH3OCO2)+
+ 1.0000 Ni+2 + 1.0000 C2H4O3 = Ni(CH3OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.5738
-delta_h +171.125 kcal/mol
-analytic -1.0297e+000 -1.2447e-004 -1.2044e+003 1.0906e-001 2.9085e+005
# -Range: 0-300
# Ni(Glyc)2, Ni(CH3OCO2)2
+ 2.0000 C2H4O3 + 1.0000 Ni+2 = Ni(CH3OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -3.657
-delta_h +330.154 kcal/mol
-analytic -1.0354e+001 -1.4250e-003 -2.4189e+003 3.2017e+000 6.5173e+005
# -Range: 0-300
# Ni(Lac)+, Ni(CH3CH2OCO2)+
+ 1.0000 Ni+2 + 1.0000 C3H6O3 = Ni(CH3CH2OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.2731
-delta_h +179.581 kcal/mol
-analytic -5.3952e+000 3.0639e-004 -1.6023e+003 1.7361e+000 3.6640e+005
# -Range: 0-300
# Ni(Lac)2, Ni(CH3CH2OCO2)2
+ 2.0000 C3H6O3 + 1.0000 Ni+2 = Ni(CH3CH2OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -4.7961
-delta_h +346.896 kcal/mol
-analytic 1.3452e+001 3.7748e-003 -5.8913e+003 -4.5655e+000 1.0409e+006
# -Range: 0-300
# Ni(Pent)+, Ni(CH3(CH2)3CO2)+
+ 1.0000 C4H9COOH + 1.0000 Ni+2 = Ni(CH3(CH2)3CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.127
-delta_h +150.126 kcal/mol
-analytic -1.8027e+001 2.5673e-003 -2.8802e+003 6.4190e+000 7.0514e+005
# -Range: 0-300
# Ni(Pent)2, Ni(CH3(CH2)3CO2)2
+ 2.0000 C4H9COOH + 1.0000 Ni+2 = Ni(CH3(CH2)3CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -6.8741
-delta_h +286.892 kcal/mol
-analytic -1.4118e+001 9.0210e-003 -1.0307e+004 6.7035e+000 2.0075e+006
# -Range: 0-300
# Ni(Prop)+, Ni(CH3CH2CO2)+
+ 1.0000 C2H5COOH + 1.0000 Ni+2 = Ni(CH3CH2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.4561
-delta_h +137.936 kcal/mol
-analytic -7.2594e+000 1.0617e-003 -1.9069e+003 2.0708e+000 4.2443e+005
# -Range: 0-300
# Ni(Prop)2, Ni(CH3CH2CO2)2
+ 2.0000 C2H5COOH + 1.0000 Ni+2 = Ni(CH3CH2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -7.4532
-delta_h +263.708 kcal/mol
-analytic -3.7965e+001 -1.2697e-004 -3.6918e+003 1.2846e+001 9.9382e+005
# -Range: 0-300
# Nonanal, CH3(CH2)7CHO
+ 3.5000 C2H4 + 1.0000 CH3COOH = CH3(CH2)7CHO + 0.5000 O2
-llnl_gamma 3.0
log_k -949.8594
-delta_h +89.060 kcal/mol
-analytic -6.6011e+001 -2.4799e-002 1.8885e+003 2.3966e+001 2.9487e+001
# -Range: 0-300
# Nonanoate, C9H17O2-
+ 4.5000 CH3COOH = C9H17O2- + 3.5000 O2 + 1.0000 H+
-llnl_gamma 4.0
log_k -4.728
-delta_h +156.990 kcal/mol
-analytic -2.9242e+002 -2.3233e-002 -6.6303e+004 1.0260e+002 -1.0345e+003
# -Range: 0-300
# Nonanoic_acid, C9H18O2
+ 4.5000 CH3COOH = C9H18O2 + 3.5000 O2
-llnl_gamma 3.0
log_k -902.1429
-delta_h +156.530 kcal/mol
-analytic 7.6545e+002 1.2327e-001 -1.2782e+005 -2.7455e+002 3.7974e+006
# -Range: 0-300
# Octanal, CH3(CH2)6CHO
+ 3.0000 C2H4 + 1.0000 CH3COOH = CH3(CH2)6CHO + 0.5000 O2
-llnl_gamma 3.0
log_k -841.0644
-delta_h +83.550 kcal/mol
-analytic -5.5236e+001 -2.0015e-002 -3.6255e+002 1.9863e+001 -5.6412e+000
# -Range: 0-300
# Octanoate, C7H15COO-
+ 4.0000 CH3COOH = C7H15COO- + 3.0000 O2 + 1.0000 H+
-llnl_gamma 4.0
log_k -4.8965
-delta_h +151.580 kcal/mol
-analytic -2.6026e+002 -2.5391e-002 -5.6736e+004 9.2101e+001 -8.8524e+002
# -Range: 0-300
# Octanoic_acid, C7H15COOH
+ 4.0000 CH3COOH = C7H15COOH + 3.0000 O2
-llnl_gamma 3.0
log_k -793.3332
-delta_h +151.050 kcal/mol
-analytic -1.9247e+001 1.0829e-002 -7.1544e+004 7.6349e+000 1.0441e+006
# -Range: 0-300
# Oxalate, C2O4-2
+ 1.5000 O2 + 1.0000 CH3COOH = C2O4-2 + 2.0000 H+ + 1.0000 H2O
-llnl_gamma 4.0
log_k -1.2703
-delta_h +195.600 kcal/mol
-analytic -6.1367e+001 -6.7813e-002 2.9725e+004 3.0857e+001 4.6385e+002
# -Range: 0-300
# Oxalic_acid, C2H2O4
+ 2.0000 HCO3- + 2.0000 H+ = C2H2O4 + 0.5000 O2 + 1.0000 H2O
-llnl_gamma 3.0
log_k -41.9377
-delta_h +194.580 kcal/mol
-analytic -3.4531E+02 -3.8017E-02 -4.9420E+02 1.2783E+02 3.4954E-01
# -Range: 0-300
# Pb(Ala)+, Pb(C3H6NO2)+
+ 1.0000 Pb+2 + 1.0000 C3H7NO2 = Pb(C3H6NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -5.3649
-delta_h +120.275 kcal/mol
-analytic -2.6624e+001 4.7189e-003 -2.0605e+003 9.9803e+000 1.8534e+005
# -Range: 0-300
# Pb(Ala)2, Pb(C3H6NO2)2
+ 2.0000 C3H7NO2 + 1.0000 Pb+2 = Pb(C3H6NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -12.4897
-delta_h +239.191 kcal/mol
-analytic -9.5305e+000 7.6294e-006 -1.1822e+004 9.6291e+000 1.1454e+006
# -Range: 0-300
# Pb(But)+, Pb(CH3(CH2)2CO2)+
+ 1.0000 Pb+2 + 1.0000 C3H7COOH = Pb(CH3(CH2)2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.0075
-delta_h +126.856 kcal/mol
-analytic -2.1474e+001 2.8958e-003 -8.4396e+002 6.9308e+000 2.9372e+005
# -Range: 0-300
# Pb(But)2, Pb(CH3(CH2)2CO2)2
+ 2.0000 C3H7COOH + 1.0000 Pb+2 = Pb(CH3(CH2)2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -6.6359
-delta_h +253.472 kcal/mol
-analytic 2.0254e+001 4.4997e-003 -9.9101e+003 -4.4607e+000 1.4291e+006
# -Range: 0-300
# Pb(For)+, Pb(CHO2)+
+ 1.0000 Pb+2 + 1.0000 HCOOH = Pb(CHO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.8633
-delta_h +100.688 kcal/mol
-analytic 6.0621e+000 1.9339e-003 -3.7110e+002 -2.9296e+000 -5.7925e+000
# -Range: 0-300
# Pb(For)2, Pb(CHO2)2
+ 2.0000 HCOOH + 1.0000 Pb+2 = Pb(CHO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -4.3658
-delta_h +202.038 kcal/mol
-analytic 2.6259e+001 -4.0425e-003 -3.3586e+003 -8.4717e+000 2.5027e+005
# -Range: 0-300
# Pb(Gly)+, Pb(C2H4NO2)+
+ 1.0000 Pb+2 + 1.0000 C2H5NO2 = Pb(C2H4NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -4.3086
-delta_h +112.312 kcal/mol
-analytic -1.8673e+001 6.5915e-003 -1.1000e+003 6.3328e+000 3.8522e+004
# -Range: 0-300
# Pb(Gly)2, Pb(C2H4NO2)2
+ 2.0000 C2H5NO2 + 1.0000 Pb+2 = Pb(C2H4NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -10.6968
-delta_h +222.992 kcal/mol
-analytic 8.2909e+000 3.4522e-003 -9.2596e+003 1.1906e+000 7.2077e+005
# -Range: 0-300
# Pb(Glyc)+, Pb(CH3OCO2)+
+ 1.0000 Pb+2 + 1.0000 C2H4O3 = Pb(CH3OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.5335
-delta_h +154.267 kcal/mol
-analytic -1.4773e+001 6.3698e-004 -2.3399e+002 5.0111e+000 1.2864e+005
# -Range: 0-300
# Pb(Glyc)2, Pb(CH3OCO2)2
+ 2.0000 C2H4O3 + 1.0000 Pb+2 = Pb(CH3OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -3.5873
-delta_h +308.946 kcal/mol
-analytic 1.1096e+001 -3.0559e-003 -5.7676e+003 -1.2814e+000 7.7865e+005
# -Range: 0-300
# Pb(Lac)+, Pb(CH3CH2OCO2)+
+ 1.0000 Pb+2 + 1.0000 C3H6O3 = Pb(CH3CH2OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.5833
-delta_h +163.610 kcal/mol
-analytic -1.3871e+001 2.6871e-003 -5.0054e+002 4.4527e+000 1.9242e+005
# -Range: 0-300
# Pb(Lac)2, Pb(CH3CH2OCO2)2
+ 2.0000 C3H6O3 + 1.0000 Pb+2 = Pb(CH3CH2OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -3.676
-delta_h +327.120 kcal/mol
-analytic -4.4899e+000 -2.4870e-003 -6.4849e+003 4.8300e+000 1.0115e+006
# -Range: 0-300
# Pb(Pent)+, Pb(CH3(CH2)3CO2)+
+ 1.0000 C4H9COOH + 1.0000 Pb+2 = Pb(CH3(CH2)3CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.0471
-delta_h +133.322 kcal/mol
-analytic -2.4746e+001 5.6511e-003 -1.9305e+003 8.3485e+000 5.2061e+005
# -Range: 0-300
# Pb(Pent)2, Pb(CH3(CH2)3CO2)2
+ 2.0000 C4H9COOH + 1.0000 Pb+2 = Pb(CH3(CH2)3CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -6.7246
-delta_h +265.793 kcal/mol
-analytic -2.7005e+001 3.4894e-003 -1.1468e+004 1.4273e+001 1.9937e+006
# -Range: 0-300
# Pb(Prop)+, Pb(CH3CH2CO2)+
+ 1.0000 C2H5COOH + 1.0000 Pb+2 = Pb(CH3CH2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.5567
-delta_h +122.252 kcal/mol
-analytic -1.6614e+001 2.8882e-003 -8.1215e+002 5.2485e+000 2.6253e+005
# -Range: 0-300
# Pb(Prop)2, Pb(CH3CH2CO2)2
+ 2.0000 C2H5COOH + 1.0000 Pb+2 = Pb(CH3CH2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -6.1631
-delta_h +244.164 kcal/mol
-analytic -8.3280e+000 2.5204e-004 -6.9233e+003 5.1398e+000 1.1223e+006
# -Range: 0-300
# Pentanal, CH3(CH2)3CHO
+ 1.5000 C2H4 + 1.0000 CH3COOH = CH3(CH2)3CHO + 0.5000 O2
-llnl_gamma 3.0
log_k -514.6206
-delta_h +67.100 kcal/mol
-analytic -2.2868e+001 -5.6572e-003 -7.1000e+003 7.5357e+000 -1.1078e+002
# -Range: 0-300
# Pentanoate, C4H9COO-
+ 1.0000 C4H9COOH = C4H9COO- + 1.0000 H+
-llnl_gamma 4.0
log_k -4.8452
-delta_h +134.380 kcal/mol
-analytic -7.1959e+001 -2.5255e-002 1.5595e+003 2.8045e+001 2.4355e+001
# -Range: 0-300
# Pentanoic_acid, C4H9COOH
+ 5.0000 HCO3- + 5.0000 H+ = C4H9COOH + 6.5000 O2
-llnl_gamma 3.0
log_k -467.5638
-delta_h +133.690 kcal/mol
-analytic -4.1508E+03 -7.0450E-01 -6.2821E+02 1.5740E+03 -6.3823E-01
# -Range: 0-300
# Phenol, C6H5OH
+ 6.0000 HCO3- + 6.0000 H+ = C6H5OH + 7.0000 O2 + 3.0000 H2O
-llnl_gamma 3.0
log_k -503.3718
-delta_h +36.640 kcal/mol
-analytic -4.4638E+03 -7.4406E-01 -6.3959E+02 1.6908E+03 -7.2665E-01
# -Range: 0-300
# Phenylalanine, C9H11NO2
+ 4.5000 C2H5NO2 = C9H11NO2 + 3.5000 NH3 + 3.2500 O2 + 0.5000 H2O
-llnl_gamma 3.0
log_k -715.0646
-delta_h +110.080 kcal/mol
-analytic 4.3141e+002 9.9794e-002 -1.0397e+005 -1.5181e+002 3.1041e+006
# -Range: 0-300
# Pimelate, C7H10O4-2
+ 3.5000 CH3COOH = C7H10O4-2 + 2.0000 H+ + 1.0000 H2O + 1.0000 O2
-llnl_gamma 4.0
log_k -4.486
-delta_h +234.040 kcal/mol
-analytic -1.8597e+002 -7.3478e-002 -1.8772e+004 7.3883e+001 -2.9286e+002
# -Range: 0-300
# Pimelic_acid, C7H12O4
+ 3.5000 CH3COOH = C7H12O4 + 1.0000 H2O + 1.0000 O2
-llnl_gamma 3.0
log_k -575.0718
-delta_h +253.720 kcal/mol
-analytic -8.7817e+001 -1.7044e-002 -1.9448e+004 3.2348e+001 -3.0344e+002
# -Range: 0-300
# Propanal, CH3CH2CHO
+ 1.0000 CH3COOH + 0.5000 C2H4 = CH3CH2CHO + 0.5000 O2
-llnl_gamma 3.0
log_k -296.0849
-delta_h +57.360 kcal/mol
-analytic -1.2713e+000 3.9198e-003 -1.1322e+004 -6.8971e-001 -1.7667e+002
# -Range: 0-300
# Propane, C3H8
+ 1.5000 C2H6 + 0.2500 O2 = C3H8 + 0.5000 H2O
-llnl_gamma 3.0
log_k -363.0881
-delta_h +30.490 kcal/mol
-analytic -6.4646e+001 -1.3427e-002 9.8352e+003 2.3379e+001 -3.1351e+005
# -Range: 0-300
#C7H8 from J.Thom
CH4 + C6H6 = C7H8 + H2
-llnl_gamma 3.0
log_k -7.82476
-analytic -6.78979e1 -1.31838e-2 -1.34773e0 2.58679e1 9.83945e-1
# -Range: 0-300
# Propanoate, C2H5COO-
+ 1.0000 C2H5COOH = C2H5COO- + 1.0000 H+
-llnl_gamma 4.0
log_k -4.8892
-delta_h +122.630 kcal/mol
-analytic -9.5201e+001 -3.2154e-002 2.0655e+003 3.7566e+001 3.2258e+001
# -Range: 0-300
# C2H5COOH, C2H5COOH
+ 3.0000 HCO3- + 3.0000 H+ = C2H5COOH + 3.5000 O2
-llnl_gamma 3.0
log_k -250.1276
-delta_h +122.470 kcal/mol
-analytic -2.2143E+03 -3.6918E-01 -5.6115E+02 8.3892E+02 -1.6485E-01
# -Range: 0-300
# Sebacate, C10H16O4-2
+ 5.0000 CH3COOH = C10H16O4-2 + 2.5000 O2 + 2.0000 H+ + 1.0000 H2O
-llnl_gamma 4.0
log_k -4.5446
-delta_h +246.230 kcal/mol
-analytic -2.7931e+002 -6.9587e-002 -4.8910e+004 1.0481e+002 -7.6312e+002
# -Range: 0-300
# Sebacic_acid, C10H18O4
+ 5.0000 CH3COOH = C10H18O4 + 2.5000 O2 + 1.0000 H2O
-llnl_gamma 3.0
log_k -904.7629
-delta_h +246.000 kcal/mol
-analytic -2.2715e+002 -2.7047e-002 -4.8330e+004 8.1858e+001 -7.5408e+002
# -Range: 0-300
# Serine, C3H7NO3
+ 1.5000 C2H5NO2 + 0.5000 H2O = C3H7NO3 + 0.5000 NH3 + 0.2500 O2
-llnl_gamma 3.0
log_k -189.3549
-delta_h +170.800 kcal/mol
-analytic -3.4133e+001 -7.9911e-005 -6.6066e+003 1.1810e+001 -1.0308e+002
# -Range: 0-300
# Sr(Ala)+, Sr(C3H6NO2)+
+ 1.0000 Sr+2 + 1.0000 C3H7NO2 = Sr(C3H6NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -9.6244
-delta_h +247.624 kcal/mol
-analytic -1.5372e-001 6.3659e-003 -5.3387e+003 9.4940e-001 3.7366e+005
# -Range: 0-300
# Sr(Ala)2, Sr(C3H6NO2)2
+ 2.0000 C3H7NO2 + 1.0000 Sr+2 = Sr(C3H6NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -19.7391
-delta_h +363.933 kcal/mol
-analytic 2.2701e+001 5.7649e-003 -1.5582e+004 -2.6780e+000 1.3116e+006
# -Range: 0-300
# Sr(But)+, Sr(CH3(CH2)2CO2)+
+ 1.0000 Sr+2 + 1.0000 C3H7COOH = Sr(CH3(CH2)2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -4.6876
-delta_h +257.725 kcal/mol
-analytic 3.9063e+000 4.6099e-003 -3.2349e+003 -1.7801e+000 4.7152e+005
# -Range: 0-300
# Sr(But)2, Sr(CH3(CH2)2CO2)2
+ 2.0000 C3H7COOH + 1.0000 Sr+2 = Sr(CH3(CH2)2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -9.716
-delta_h +383.903 kcal/mol
-analytic -7.5798e+000 1.7956e-003 -9.0604e+003 4.8509e+000 1.3997e+006
# -Range: 0-300
# Sr(For)+, Sr(CHO2)+
+ 1.0000 Sr+2 + 1.0000 HCOOH = Sr(CHO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.3632
-delta_h +233.167 kcal/mol
-analytic -7.7187e+000 -1.6025e-003 -1.4308e+002 2.3659e+000 4.1368e+004
# -Range: 0-300
# Sr(For)2, Sr(CHO2)2
+ 2.0000 HCOOH + 1.0000 Sr+2 = Sr(CHO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -5.2857
-delta_h +335.415 kcal/mol
-analytic 1.2568e+001 -4.6580e-003 -2.6237e+003 -4.2863e+000 2.6225e+005
# -Range: 0-300
# Sr(Gly)+, Sr(C2H4NO2)+
+ 1.0000 Sr+2 + 1.0000 C2H5NO2 = Sr(C2H4NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -8.8283
-delta_h +239.307 kcal/mol
-analytic 2.8102e+000 7.4407e-003 -4.2138e+003 -8.6544e-001 2.1596e+005
# -Range: 0-300
# Sr(Gly)2, Sr(C2H4NO2)2
+ 2.0000 C2H5NO2 + 1.0000 Sr+2 = Sr(C2H4NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -18.1764
-delta_h +347.420 kcal/mol
-analytic -2.8343e+001 -5.5578e-004 -9.2508e+003 1.3694e+001 6.6583e+005
# -Range: 0-300
# Sr(Glyc)+, Sr(CH3OCO2)+
+ 1.0000 Sr+2 + 1.0000 C2H4O3 = Sr(CH3OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.5237
-delta_h +286.078 kcal/mol
-analytic -6.4133e+000 5.4199e-004 -1.3135e+003 2.2348e+000 2.3242e+005
# -Range: 0-300
# Sr(Glyc)2, Sr(CH3OCO2)2
+ 2.0000 C2H4O3 + 1.0000 Sr+2 = Sr(CH3OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -5.3971
-delta_h +441.109 kcal/mol
-analytic 1.3286e+001 -5.0599e-004 -5.9522e+003 -3.1148e+000 8.1395e+005
# -Range: 0-300
# Sr(Lac)+, Sr(CH3CH2OCO2)+
+ 1.0000 Sr+2 + 1.0000 C3H6O3 = Sr(CH3CH2OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -2.8829
-delta_h +295.697 kcal/mol
-analytic -4.0445e+000 1.9255e-003 -1.8712e+003 1.2700e+000 3.3209e+005
# -Range: 0-300
# Sr(Lac)2, Sr(CH3CH2OCO2)2
+ 2.0000 C3H6O3 + 1.0000 Sr+2 = Sr(CH3CH2OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -6.0561
-delta_h +459.421 kcal/mol
-analytic -1.4468e+001 -2.5097e-003 -6.2399e+003 7.4467e+000 1.0390e+006
# -Range: 0-300
# Sr(Pent)+, Sr(CH3(CH2)3CO2)+
Sr+2 + 1.0000 C4H9COOH = Sr(CH3(CH2)3CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -5.0475
-delta_h +263.755 kcal/mol
-analytic -1.6735e+001 4.7533e-003 -3.4901e+003 5.9457e+000 6.4784e+005
# -Range: 0-300
# Sr(Pent)2, Sr(CH3(CH2)3CO2)2
+ 2.0000 C4H9COOH + 1.0000 Sr+2 = Sr(CH3(CH2)3CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -10.3845
-delta_h +395.432 kcal/mol
-analytic -2.1107e+001 5.6147e-003 -1.2655e+004 1.1415e+001 2.0705e+006
# -Range: 0-300
# Sr(Prop)+, Sr(CH3CH2CO2)+
Sr+2 + 1.0000 C2H5COOH = Sr(CH3CH2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -4.6568
-delta_h +252.548 kcal/mol
-analytic -6.6891e+000 2.5586e-003 -2.4244e+003 2.0550e+000 3.8526e+005
# -Range: 0-300
# Sr(Prop)2, Sr(CH3CH2CO2)2
+ 2.0000 C2H5COOH + 1.0000 Sr+2 = Sr(CH3CH2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -9.653
-delta_h +374.036 kcal/mol
-analytic -1.7427e+001 2.9439e-004 -7.2086e+003 7.6682e+000 1.1487e+006
# -Range: 0-300
# Suberate, C8H12O4-2
+ 4.0000 CH3COOH = C8H12O4-2 + 2.0000 H+ + 1.5000 O2 + 1.0000 H2O
-llnl_gamma 4.0
log_k -4.508
-delta_h +238.130 kcal/mol
-analytic -2.2072e+002 -7.2265e-002 -2.8694e+004 8.5459e+001 -4.4768e+002
# -Range: 0-300
# Suberic_acid, C8H14O4
+ 4.0000 CH3COOH = C8H14O4 + 1.5000 O2 + 1.0000 H2O
-llnl_gamma 3.0
log_k -685.0983
-delta_h +237.760 kcal/mol
-analytic 3.0275e+002 3.8350e-002 -5.4760e+004 -1.0730e+002 1.5882e+006
# -Range: 0-300
# Succinate, C4H4O4-2
+ 2.0000 CH3COOH + 0.5000 O2 = C4H4O4-2 + 2.0000 H+ + 1.0000 H2O
-llnl_gamma 4.0
log_k -4.2075
-delta_h +217.350 kcal/mol
-analytic -1.2187e+002 -7.6672e-002 1.1465e+004 5.2865e+001 1.7894e+002
# -Range: 0-300
# Succinic_acid, C4H6O4
+ 4.0000 HCO3- + 4.0000 H+ = C4H6O4 + 1.0000 H2O + 3.5000 O2
-llnl_gamma 3.0
log_k -249.5736
-delta_h +218.000 kcal/mol
-analytic -2.2145E+03 -3.6471E-01 -5.6115E+02 8.3864E+02 -1.6486E-01
# -Range: 0-300
# Threonine, C4H9NO3
+ 2.0000 C2H5NO2 + 1.0000 H2O = C4H9NO3 + 1.0000 NH3 + 1.0000 O2
-llnl_gamma 3.0
log_k -298.0694
-delta_h +179.100 kcal/mol
-analytic -1.0140e+002 6.4713e-004 -2.0508e+004 3.5679e+001 -3.1999e+002
# -Range: 0-300
# Toluene, C6H5CH3
+ 7.0000 HCO3- + 7.0000 H+ = C6H5CH3 + 9.0000 O2 + 3.0000 H2O
-llnl_gamma 3.0
log_k -643.4017
-delta_h -3.28 kcal/mol
-analytic -5.7062E+03 -9.5845E-01 -6.8381E+02 2.1621E+03 -1.1553E+00
# -Range: 0-300
# Tryptophan, C11H12N2O2
+ 5.5000 C2H5NO2 = C11H12N2O2 + 3.5000 NH3 + 3.2500 O2 + 2.5000 H2O
-llnl_gamma 3.0
log_k -821.6547
-delta_h +97.800 kcal/mol
-analytic 2.0110e+002 6.4379e-002 -9.2769e+004 -6.7930e+001 2.8656e+006
# -Range: 0-300
# Tyrosine, C9H11NO3
+ 4.5000 C2H5NO2 = C9H11NO3 + 3.5000 NH3 + 2.7500 O2 + 0.5000 H2O
-llnl_gamma 3.0
log_k -685.9078
-delta_h +157.400 kcal/mol
-analytic 8.1097e+001 4.1846e-002 -7.3858e+004 -2.6230e+001 1.7718e+006
# -Range: 0-300
# Undecanoate, C11H21O2-
+ 5.5000 CH3COOH = C11H21O2- + 4.5000 O2 + 1.0000 H+
-llnl_gamma 4.0
log_k -4.9258
-delta_h +168.370 kcal/mol
-analytic -3.4192e+002 -1.8413e-002 -8.6143e+004 1.1839e+002 -1.3441e+003
# -Range: 0-300
# Undecanoic_acid, C11H22O2
+ 5.5000 CH3COOH = C11H22O2 + 4.5000 O2
-llnl_gamma 3.0
log_k -1119.4911
-delta_h +167.870 kcal/mol
-analytic -3.8607e+002 -2.5829e-002 -8.4510e+004 1.3690e+002 -1.3186e+003
# -Range: 0-300
# Urea, (NH2)2CO
+ 2.0000 NH3 + 1.0000 HCO3- + 1.0000 H+ = (NH2)2CO + 2.0000 H2O
-llnl_gamma 3.0
log_k -NH3(aq)
-delta_h +48.720 kcal/mol
-analytic 1.0904e+002 3.5979e-002 -6.9287e+002 -4.4776e+001 -1.0844e+001
# -Range: 0-300
# Valine, C5H11NO2
+ 2.5000 C2H5NO2 + 1.5000 H2O = C5H11NO2 + 2.2500 O2 + 1.5000 NH3
-llnl_gamma 3.0
log_k +8.7263
-delta_h +147.300 kcal/mol
-analytic 3.7382e+001 2.7415e-002 -5.6188e+004 -1.2674e+001 1.1178e+006
# -Range: 0-300
# Yb(But)+2, Yb(CH3(CH2)2CO2)+2
+ 1.0000 Yb+3 + 1.0000 C3H7COOH = Yb(CH3(CH2)2CO2)+2 + 1.0000 H+
-llnl_gamma 3.0
log_k -2.1382
-delta_h +291.999 kcal/mol
-analytic -1.2860e+001 1.7057e-003 -2.0611e+003 4.3737e+000 5.6186e+005
# -Range: 0-300
# Yb(But)2+, Yb(CH3(CH2)2CO2)2+
+ 2.0000 C3H7COOH + 1.0000 Yb+3 = Yb(CH3(CH2)2CO2)2+ + 2.0000 H+
-llnl_gamma 3.0
log_k -5.046
-delta_h +422.417 kcal/mol
-analytic -2.4830e+001 4.6045e-003 -5.0416e+003 8.6785e+000 1.2339e+006
# -Range: 0-300
# Yb(For)+2, Yb(CHO2)+2
+ 1.0000 Yb+3 + 1.0000 HCOOH = Yb(CHO2)+2 + 1.0000 H+
-llnl_gamma 3.0
log_k -1.0533
-delta_h +265.749 kcal/mol
-analytic -4.3955e+000 -1.0863e-003 -2.9561e+002 1.0868e+000 1.7552e+005
# -Range: 0-300
# Yb(For)2+, Yb(CHO2)2+
+ 2.0000 HCOOH + 1.0000 Yb+3 = Yb(CHO2)2+ + 2.0000 H+
-llnl_gamma 3.0
log_k -2.8858
-delta_h +370.998 kcal/mol
-analytic 1.6276e+000 -3.1580e-003 -1.1548e+002 -2.0889e+000 1.7727e+005
# -Range: 0-300
# Yb(Pent)+2, Yb(CH3(CH2)3CO2)+2
Yb+3 + 1.0000 C4H9COOH = Yb(CH3(CH2)3CO2)+2 + 1.0000 H+
-llnl_gamma 3.0
log_k -2.1675
-delta_h +298.479 kcal/mol
-analytic -2.3047e+001 2.8250e-003 -2.9411e+003 8.5036e+000 7.8951e+005
# -Range: 0-300
# Yb(Pent)2+, Yb(CH3(CH2)3CO2)2+
+ 2.0000 C4H9COOH + 1.0000 Yb+3 = Yb(CH3(CH2)3CO2)2+ + 2.0000 H+
-llnl_gamma 3.0
log_k -5.1142
-delta_h +434.659 kcal/mol
-analytic -5.2700e+001 8.2187e-003 -7.2378e+003 1.9860e+001 1.8060e+006
# -Range: 0-300
# Yb(Prop)+2, Yb(CH3CH2CO2)+2
Yb+3 + 1.0000 C2H5COOH = Yb(CH3CH2CO2)+2 + 1.0000 H+
-llnl_gamma 3.0
log_k -2.3266
-delta_h +286.522 kcal/mol
-analytic -6.7242e+000 2.3108e-003 -2.1680e+003 2.0842e+000 5.1913e+005
# -Range: 0-300
# Yb(Prop)2+, Yb(CH3CH2CO2)2+
+ 2.0000 C2H5COOH + 1.0000 Yb+3 = Yb(CH3CH2CO2)2+ + 2.0000 H+
-llnl_gamma 3.0
log_k -5.3927
-delta_h +412.078 kcal/mol
-analytic -3.8113e+001 1.3154e-003 -3.4162e+003 1.3121e+001 1.0092e+006
# -Range: 0-300
# Zn(Ala)+, Zn(C3H6NO2)+
+ 1.0000 Zn+2 + 1.0000 C3H7NO2 = Zn(C3H6NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -5.4147
-delta_h +161.048 kcal/mol
-analytic 1.2672e+001 6.7980e-003 -5.1247e+003 -3.5266e+000 5.1686e+005
# -Range: 0-300
# Zn(Ala)2, Zn(C3H6NO2)2
+ 2.0000 C3H7NO2 + 1.0000 Zn+2 = Zn(C3H6NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -11.4994
-delta_h +283.389 kcal/mol
-analytic 4.4585e+001 1.2039e-002 -1.3805e+004 -1.1865e+001 1.4233e+006
# -Range: 0-300
# Zn(But)+, Zn(CH3(CH2)2CO2)+
+ 1.0000 Zn+2 + 1.0000 C3H7COOH = Zn(CH3(CH2)2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.3682
-delta_h +166.539 kcal/mol
-analytic -1.6276e+001 9.6461e-004 -1.8810e+003 5.4462e+000 4.8622e+005
# -Range: 0-300
# Zn(But)2, Zn(CH3(CH2)2CO2)2
+ 2.0000 C3H7COOH + 1.0000 Zn+2 = Zn(CH3(CH2)2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -7.2956
-delta_h +296.560 kcal/mol
-analytic -1.3591e+001 4.2586e-003 -7.2513e+003 5.4031e+000 1.4233e+006
# -Range: 0-300
# Zn(For)+, Zn(CHO2)+
+ 1.0000 Zn+2 + 1.0000 HCOOH = Zn(CHO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.9828
-delta_h +140.698 kcal/mol
-analytic -1.1156e+001 -2.5823e-003 7.3093e+001 3.4639e+000 1.0064e+005
# -Range: 0-300
# Zn(For)2, Zn(CHO2)2
+ 2.0000 HCOOH + 1.0000 Zn+2 = Zn(CHO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -4.5857
-delta_h +245.726 kcal/mol
-analytic -7.1074e-001 -3.3021e-003 -9.4938e+002 -1.0872e+000 2.6619e+005
# -Range: 0-300
# Zn(Gly)+, Zn(C2H4NO2)+
+ 1.0000 Zn+2 + 1.0000 C2H5NO2 = Zn(C2H4NO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -4.398
-delta_h +151.609 kcal/mol
-analytic 1.4690e+000 6.2605e-003 -3.1652e+003 -1.7705e-001 2.9610e+005
# -Range: 0-300
# Zn(Gly)2, Zn(C2H4NO2)2
+ 2.0000 C2H5NO2 + 1.0000 Zn+2 = Zn(C2H4NO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -9.7468
-delta_h +267.408 kcal/mol
-analytic -6.7271e+000 5.7103e-003 -7.3518e+003 4.5306e+000 7.7709e+005
# -Range: 0-300
# Zn(Glyc)+, Zn(CH3OCO2)+
+ 1.0000 Zn+2 + 1.0000 C2H4O3 = Zn(CH3OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.4536
-delta_h +194.550 kcal/mol
-analytic -1.1705e+001 -8.4917e-004 -8.2775e+002 4.0500e+000 2.9059e+005
# -Range: 0-300
# Zn(Glyc)2, Zn(CH3OCO2)2
+ 2.0000 C2H4O3 + 1.0000 Zn+2 = Zn(CH3OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -3.4371
-delta_h +353.139 kcal/mol
-analytic 6.2982e-001 9.5823e-004 -3.9294e+003 -1.4746e-001 8.1885e+005
# -Range: 0-300
# Zn(Lac)+, Zn(CH3CH2OCO2)+
+ 1.0000 Zn+2 + 1.0000 C3H6O3 = Zn(CH3CH2OCO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -1.6632
-delta_h +200.064 kcal/mol
-analytic -1.2294e+001 1.2442e-003 -1.5665e+003 4.7943e+000 3.2586e+005
# -Range: 0-300
# Zn(Lac)2, Zn(CH3CH2OCO2)2
+ 2.0000 C3H6O3 + 1.0000 Zn+2 = Zn(CH3CH2OCO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -3.9758
-delta_h +364.728 kcal/mol
-analytic 3.8951e+000 2.6835e-003 -7.1188e+003 1.0404e+000 1.1253e+006
# -Range: 0-300
# Zn(Pent)+, Zn(CH3(CH2)3CO2)+
Zn+2 + 1.0000 C4H9COOH = Zn(CH3(CH2)3CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.4869
-delta_h +172.896 kcal/mol
-analytic -1.1325e+001 4.3921e-003 -3.5920e+003 4.0708e+000 7.5781e+005
# -Range: 0-300
# Zn(Pent)2, Zn(CH3(CH2)3CO2)2
+ 2.0000 C4H9COOH + 1.0000 Zn+2 = Zn(CH3(CH2)3CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -7.5243
-delta_h +308.690 kcal/mol
-analytic -1.2210e+001 1.0120e-002 -1.1570e+004 6.6228e+000 2.1453e+006
# -Range: 0-300
# Zn(Prop)+, Zn(CH3CH2CO2)+
Zn+2 + 1.0000 C2H5COOH = Zn(CH3CH2CO2)+ + 1.0000 H+
-llnl_gamma 3.0
log_k -3.6467
-delta_h +160.939 kcal/mol
-analytic -1.2581e+001 1.0699e-003 -1.9249e+003 4.0899e+000 4.4167e+005
# -Range: 0-300
# Zn(Prop)2, Zn(CH3CH2CO2)2
+ 2.0000 C2H5COOH + 1.0000 Zn+2 = Zn(CH3CH2CO2)2 + 2.0000 H+
-llnl_gamma 3.0
log_k -7.8029
-delta_h +285.915 kcal/mol
-analytic 5.0990e+000 6.7118e-003 -7.1926e+003 -2.0259e+000 1.2684e+006
# -Range: 0-300
# a-Aminobutyric_acid, C4H9NO2
+ 2.0000 C2H5NO2 + 1.0000 H2O = C4H9NO2 + 1.5000 O2 + 1.0000 NH3
-llnl_gamma 3.0
log_k +8.5576
-delta_h +138.180 kcal/mol
-analytic -1.4296e+002 -5.6984e-004 -2.6712e+004 5.0706e+001 -4.1677e+002
# -Range: 0-300
# m-Toluate, C8H7O2-
+ 4.0000 CH3COOH = C8H7O2- + 4.0000 H2O + 1.0000 H+ + 1.0000 O2
-llnl_gamma 4.0
log_k -1.9205
-delta_h +95.350 kcal/mol
-analytic -2.1064e+002 -3.7768e-002 -1.3591e+004 7.7265e+001 -2.1201e+002
# -Range: 0-300
# m-Toluic_acid, C8H8O2
+ 4.0000 CH3COOH = C8H8O2 + 4.0000 H2O + 1.0000 O2
-llnl_gamma 3.0
log_k +2.3383
-delta_h +95.450 kcal/mol
-analytic -3.8131e+000 4.7688e-003 -2.3805e+004 1.3041e+000 6.1998e+005
# -Range: 0-300
# n-Butane, C4H10
+ 2.0000 C2H6 + 0.5000 O2 = C4H10 + 1.0000 H2O
-llnl_gamma 3.0
log_k -471.7285
-delta_h +36.230 kcal/mol
-analytic -4.4434e+001 -1.4522e-002 1.4959e+004 1.6121e+001 -3.5819e+005
# -Range: 0-300
# n-Butylbenzene, C6H5C4H9
# + 6.0000 H2O + 5.0000 C6H6 = C6H5C4H9 + 3.0000 O2
# does not balance
# -llnl_gamma 3.0
# log_k -2907.6453
# -delta_h +14.430 kcal/mol
# -analytic 6.8560e+002 1.2459e-001 -1.0249e+005 -2.5284e+002 2.3594e+006
# -Range: 0-300
# n-Heptane, C7H16
+ 3.5000 C2H6 + 1.2500 O2 = C7H16 + 2.5000 H2O
-llnl_gamma 3.0
log_k -797.97
-delta_h +52.950 kcal/mol
-analytic 1.3006e+002 -5.8965e-003 2.2874e+004 -4.5370e+001 3.5689e+002
# -Range: 0-300
# n-Heptylbenzene, C6H5C7H15
# + 10.5000 H2O + 6.5000 C6H6 = C6H5C7H15 + 5.2500 O2
# does not balance
# -llnl_gamma 3.0
# log_k -3886.5811
# -delta_h +31.090 kcal/mol
# -analytic -5.4784e+001 4.5194e-002 -1.1072e+005 8.0680e+000 -1.7277e+003
# -Range: 0-300
# n-Hexane, C6H14
+ 3.0000 C2H6 + 1.0000 O2 = C6H14 + 2.0000 H2O
-llnl_gamma 3.0
log_k -689.2922
-delta_h +47.400 kcal/mol
-analytic -8.0362e+001 -2.8468e-002 2.9412e+004 2.9224e+001 -7.0316e+005
# -Range: 0-300
# n-Hexylbenzene, C6H5C6H13
+ 3.0000 H2O + 2.0000 C6H6 = C6H5C6H13 + 1.5000 O2
-llnl_gamma 3.0
log_k -1186.7026
-delta_h +25.590 kcal/mol
-analytic 3.5759e+002 6.3935e-002 -5.2899e+004 -1.3148e+002 1.2819e+006
# -Range: 0-300
# n-Octane, C8H18
+ 4.0000 C2H6 + 1.5000 O2 = C8H18 + 3.0000 H2O
-llnl_gamma 3.0
log_k -906.6918
-delta_h +59.410 kcal/mol
-analytic -1.4173e+002 -4.6447e-002 4.5236e+004 5.1540e+001 -1.1006e+006
# -Range: 0-300
# n-Octylbenzene, C6H5C8H17
# + 12.0000 H2O + 7.0000 C6H6 = C6H5C8H17 + 6.0000 O2
# does not balance
# -llnl_gamma 3.0
# log_k -4212.6143
# -delta_h +36.760 kcal/mol
# -analytic 1.2934e+003 2.4001e-001 -2.0402e+005 -4.7773e+002 4.5749e+006
# -Range: 0-300
# n-Pentane, C5H12
+ 2.5000 C2H6 + 0.7500 O2 = C5H12 + 1.5000 H2O
-llnl_gamma 3.0
log_k -580.4385
-delta_h +41.560 kcal/mol
-analytic 8.4526e+000 -1.1432e-002 1.8295e+004 -2.8367e+000 -3.1818e+005
# -Range: 0-300
# n-Pentylbenzene, C6H5C5H11
# + 7.5000 H2O + 5.5000 C6H6 = C6H5C5H11 + 3.7500 O2
# does not balance
# -llnl_gamma 3.0
# log_k -3233.7886
# -delta_h +19.750 kcal/mol
# -analytic 2.9887e+002 7.2990e-002 -9.9228e+004 -1.1348e+002 1.3767e+006
# -Range: 0-300
# n-Propylbenzene, C6H5C3H7
+ 1.5000 H2O + 1.5000 C6H6 = C6H5C3H7 + 0.7500 O2
-llnl_gamma 3.0
log_k -860.618
-delta_h +8.630 kcal/mol
-analytic -4.3768e+000 6.3937e-003 -1.5469e+004 0.0000e+000 0.0000e+000
# -Range: 0-300
# o-Toluate, C8H7O2-
+ 4.0000 CH3COOH = C8H7O2- + 4.0000 H2O + 1.0000 H+ + 1.0000 O2
-llnl_gamma 4.0
log_k -3.9069
-delta_h +94.070 kcal/mol
-analytic -2.2819e+002 -3.9422e-002 -1.3238e+004 8.3275e+001 -2.0650e+002
# -Range: 0-300
# o-Toluic_acid, C8H8O2
+ 4.0000 CH3COOH = C8H8O2 + 4.0000 H2O + 1.0000 O2
-llnl_gamma 3.0
log_k -642.3493
-delta_h +92.640 kcal/mol
-analytic 8.2106e+001 1.6240e-002 -2.9218e+004 -2.9637e+001 8.9007e+005
# -Range: 0-300
# p-Toluate, C8H7O2-
+ 4.0000 CH3COOH = C8H7O2- + 4.0000 H2O + 1.0000 H+ + 1.0000 O2
-llnl_gamma 4.0
log_k -1.6786
-delta_h +96.160 kcal/mol
-analytic -1.9101e+002 -3.8193e-002 -1.4330e+004 7.0482e+001 -2.2355e+002
# -Range: 0-300
# p-Toluic_acid, C8H8O2
+ 4.0000 CH3COOH = C8H8O2 + 4.0000 H2O + 1.0000 O2
-llnl_gamma 3.0
log_k +2.6901
-delta_h +96.190 kcal/mol
-analytic 1.5812e+002 2.5784e-002 -3.1991e+004 -5.7207e+001 1.0103e+006
# -Range: 0-300
# U(But)+2, U(CH3(CH2)2CO2)+2
1.0000 U+3 + 1.0000 C3H7COOH = U(CH3(CH2)2CO2)+2 + 1.0000 H+
-llnl_gamma 4.5
log_k -2.1498
-delta_h 248.272 kcal/mol
-analytic 4.8984E+01 2.2598E-02 -5.4323E+02 -2.2538E+01 1.6299E+00
# -Range: 0-300
# U(But)2+, U(CH3(CH2)2CO2)2+
1.0000 U+3 + 2.0000 C3H7COOH = U(CH3(CH2)2CO2)2+ + 2.0000 H+
-llnl_gamma 4.5
log_k -4.9572
-delta_h 377.871 kcal/mol
-analytic 7.8056E+01 4.5216E-02 -5.4214E+02 -3.8131E+01 1.6380E+00
# -Range: 0-300
# U(For)+2, U(CHO2)+2
1.0000 U+3 + 1.0000 HCOOH = U(CHO2)+2 + 1.0000 H+
-llnl_gamma 4.5
log_k -1.0650
-delta_h 221.372 kj/mol
-analytic 3.4236E+01 7.8056E+01 4.5216E-02 -5.4214E+02 -3.8131E+01 1.6380E+00
# -Range: 0-300
# U(For)2+, U(CHO2)2+
1.0000 U+3 + 2.0000 HCOOH = U(CHO2)2+ + 2.0000 H+
-llnl_gamma 4.0
log_k -2.2378
-delta_h 325.914 kj/mol
-analytic 3.4236E+01 3.5094E-03 -5.4368E+02 -1.4325E+01 1.6273E+00
# -Range: 0-300
# U(Pent)+2, U(CH3(CH2)3CO2)+2
1.0000 U+3 + 1.0000 C4H9COOH = U(CH3(CH2)3CO2)+2 + 1.0000 H+
-llnl_gamma 4.5
log_k -2.1791
-delta_h 254.046 kj/mol
-analytic 6.0007E+01 3.2104E-02 -5.4273E+02 -2.8145E+01 1.6343E+00
# -Range: 0-300
# U(Prop)+2, U(CH3CH2CO2)+2
1.0000 U+3 + 1.0000 C2H5COOH = U(CH3CH2CO2)+2 + 1.0000 H+
-llnl_gamma 4.5
log_k -2.2084
-delta_h 242.291 kj/mol
-analytic 4.5186E+01 2.0784E-02 -5.4323E+02 -2.0809E+01 1.6310E+00
# -Range: 0-300
# U(Prop)2+, U(CH3CH2CO2)2+
1.0000 U+3 + 2.0000 C2H5COOH = U(CH3CH2CO2)2+ + 2.0000 H+
-llnl_gamma 4.0
log_k -5.3149
-delta_h 366.155 kj/mol
-analytic 6.7383E+01 3.8662E-02 -5.4239E+02 -3.3175E+01 1.6373E+00
# -Range: 0-300
3.0000 H+ + 1.0000 HCO3- + 1.0000 SO4-2 = CH3SH + 3.5 O2 # Methanethiol
-llnl_gamma 3.0
log_k -242.047 # from supcrt92
# Enthalpy of formation: -11.650 kcal/mol # from supcrt92
-delta_H 360498 cal/mol # from supcrt92
-analytic -2.03598E+03 -2.78169E-01 -6.13323E+02 7.59329E+02 1.13938E+00
# -Range: 0-350
4.0000 H+ + 2.0000 HCO3- + 1.0000 SO4-2 = C2H5SH + 5.0 O2 # Ethanethiol
-llnl_gamma 3.0
log_k -349.764 # from supcrt92
# Enthalpy of formation: -17.820 kcal/mol # from supcrt92
-delta_H 514876 cal/mol # from supcrt92
-analytic -2.96331E+03 -4.22107E-01 -1.00319E+02 1.10720E+03 2.90155E-01
# -Range: 0-350
5.0000 H+ + 3.0000 HCO3- + 1.0000 SO4-2 = C3H7SH + 6.5 O2 # Propanethiol
-llnl_gamma 3.0
log_k -458.757 # from supcrt92
# Enthalpy of formation: -23.320 kcal/mol # from supcrt92
-delta_H 669924 cal/mol # from supcrt92
-analytic -3.88470E+03 -5.63950E-01 -1.31641E+02 1.45265E+03 6.67442E-02
# -Range: 0-350
6.0000 H+ + 4.0000 HCO3- + 1.0000 SO4-2 = C4H9SH + 8.0 O2 # Butanethiol
-llnl_gamma 3.0
log_k -567.530 # from supcrt92
# Enthalpy of formation: -28.630 kcal/mol # from supcrt92
-delta_H 825162 cal/mol # from supcrt92
-analytic -4.80261E+03 -7.05108E-01 -1.62840E+02 1.79669E+03 -1.59893E-01
# -Range: 0-350
7.0000 H+ + 5.0000 HCO3- + 1.0000 SO4-2 = C5H11SH + 9.5 O2 # Pentanethiol
-llnl_gamma 3.0
log_k -676.604 # from supcrt92
# Enthalpy of formation: -34.530 kcal/mol # from supcrt92
-delta_H 979810 cal/mol # from supcrt92
-analytic -5.71970E+03 -8.46049E-01 -1.94013E+02 2.14026E+03 -3.61870E-01
# -Range: 0-350
8.0000 H+ + 6.0000 HCO3- + 1.0000 SO4-2 = C6H13SH + 11.0 O2 # Hexanethiol
-llnl_gamma 3.0
log_k -785.084 # from supcrt92
# Enthalpy of formation: -40.200 kcal/mol # from supcrt92
-delta_H 1134688 cal/mol # from supcrt92
-analytic -6.63401E+03 -9.86521E-01 -2.25089E+02 2.48288E+03 -5.76590E-01
# -Range: 0-350
9.0000 H+ + 7.0000 HCO3- + 1.0000 SO4-2 = C7H15SH + 12.5 O2 # Heptanethiol
-llnl_gamma 3.0
log_k -893.762 # from supcrt92
# Enthalpy of formation: -45.870 kcal/mol # from supcrt92
-delta_H 1289566 cal/mol # from supcrt92
-analytic -7.55009E+03 -1.12735E+00 -2.56223E+02 2.82618E+03 -8.06879E-01
# -Range: 0-350
10.0000 H+ + 8.0000 HCO3- + 1.0000 SO4-2 = C8H17SH + 14.0 O2 # Octanethiol
-llnl_gamma 3.0
log_k -1002.439 # from supcrt92
# Enthalpy of formation: -51.540 kcal/mol # from supcrt92
-delta_H 1444444 cal/mol # from supcrt92
-analytic -8.46618E+03 -1.26818E+00 -2.87362E+02 3.16949E+03 -1.03755E+00
# -Range: 0-350
11.0000 H+ + 9.0000 HCO3- + 1.0000 SO4-2 = C9H19SH + 15.5 O2 # Nonanethiol
-llnl_gamma 3.0
log_k -1111.117 # from supcrt92
# Enthalpy of formation: -57.210 kcal/mol # from supcrt92
-delta_H 1599322 cal/mol # from supcrt92
-analytic -9.38233E+03 -1.40904E+00 -3.18508E+02 3.51283E+03 -1.24321E+00
# -Range: 0-350
12.0000 H+ + 10.0000 HCO3- + 1.0000 SO4-2 = C10H21SH + 17.0 O2 # Decanethiol
-llnl_gamma 3.0
log_k -1219.795 # from supcrt92
# Enthalpy of formation: -62.880 kcal/mol # from supcrt92
-delta_H 1754200 cal/mol # from supcrt92
-analytic -1.02985E+04 -1.54990E+00 -3.49643E+02 3.85617E+03 -1.48034E+00
# -Range: 0-350
PHASES
Toluene(l) # from J.Thom
C7H8 = C7H8
log_k -2.2639168374931
-analytic 1.9804E+01 2.0653E-02 1.5436E+00 -1.1409E+01 2.8885E-03
Toluene(g) # from J.Thom
C7H8 = C7H8
log_k -.67116
-analytic 7.43133e1 3.42616e-2 2.40651e0 -3.44352e1 -4.36135e0
CH4(g) # from J.Thom
CH4 = CH4
log_k -2.8502
-delta_H -13.0959 kJ/mol # Calculated enthalpy of reaction CH4(g)
-analytic -2.4027e+001 4.7146e-003 3.7227e+002 6.4264e+000 2.3362e+005
####################################
#End of data entered Feb. 4, 2011
#################################
# 1122 minerals
(UO2)2As2O7
(UO2)2As2O7 +2.0000 H+ +1.0000 H2O = + 2.0000 H2AsO4- + 2.0000 UO2++
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+002 -6.3487e-002 1.0052e+004 6.2384e+001 1.5691e+002
# -Range: 0-300
(UO2)2Cl3
(UO2)2Cl3 = + 1.0000 UO2+ + 1.0000 UO2++ + 3.0000 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+002 -9.2925e-002 1.1722e+004 9.6999e+001 1.8298e+002
# -Range: 0-300
(UO2)2P2O7
(UO2)2P2O7 +1.0000 H2O = + 2.0000 HPO4-- + 2.0000 UO2++
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+002 -1.3987e-001 1.0703e+004 1.3613e+002 1.6712e+002
# -Range: 0-300
(UO2)3(AsO4)2
(UO2)3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 UO2++
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+002 -7.3236e-002 1.2936e+004 7.4631e+001 2.0192e+002
# -Range: 0-300
(UO2)3(PO4)2
(UO2)3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 UO2++
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+002 -1.4347e-001 1.3486e+004 1.4148e+002 2.1054e+002
# -Range: 0-300
(UO2)3(PO4)2:4H2O
(UO2)3(PO4)2:4H2O +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 UO2++ + 4.0000 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+002 -4.1375e-002 5.2046e+003 5.0531e+001 8.8434e+001
# -Range: 0-200
(VO)3(PO4)2
(VO)3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 VO++
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 +1.0000 H+ = + 1.0000 HS- + 2.0000 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+002 -4.7139e-002 -7.4522e+003 6.6140e+001 -1.1624e+002
# -Range: 0-300
Afwillite
Ca3Si2O4(OH)6 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 Ca++ + 6.0000 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+001 1.9014e-003 1.8478e+004 -6.6311e+000 -4.0227e+005
# -Range: 0-300
Ag
Ag +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 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+001 -3.8466e-003 2.2642e+003 6.3388e+000 3.5334e+001
# -Range: 0-300
Ag3PO4
Ag3PO4 +1.0000 H+ = + 1.0000 HPO4-- + 3.0000 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 = + 1.0000 Ni++ + 1.0000 SeO3-- + 2.0000 H2O
log_k -4.4894
-delta_H -25.7902 kJ/mol # Calculated enthalpy of reaction Ahlfeldite
# Enthalpy of formation: -265.07 kcal/mol
-analytic -2.6210e+001 -1.6952e-002 1.0405e+003 9.4054e+000 1.7678e+001
# -Range: 0-200
Akermanite
Ca2MgSi2O7 +6.0000 H+ = + 1.0000 Mg++ + 2.0000 Ca++ + 2.0000 SiO2 + 3.0000 H2O
log_k 45.3190
-delta_H -288.575 kJ/mol # Calculated enthalpy of reaction Akermanite
# Enthalpy of formation: -926.497 kcal/mol
-analytic -4.8295e+001 -8.5613e-003 2.0880e+004 1.3798e+001 -7.1975e+005
# -Range: 0-300
Al
Al +3.0000 H+ +0.7500 O2 = + 1.0000 Al+++ + 1.5000 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+002 -4.6187e-002 5.7127e+004 6.6270e+001 -3.8952e+005
# -Range: 0-300
Al2(SO4)3
Al2(SO4)3 = + 2.0000 Al+++ + 3.0000 SO4--
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+002 -2.4268e-001 2.9194e+004 2.4383e+002 4.5573e+002
# -Range: 0-300
Al2(SO4)3:6H2O
Al2(SO4)3:6H2O = + 2.0000 Al+++ + 3.0000 SO4-- + 6.0000 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+002 -2.4552e-001 2.6064e+004 2.8441e+002 4.0691e+002
# -Range: 0-300
AlF3
AlF3 = + 1.0000 Al+++ + 3.0000 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+002 -1.3388e-001 1.0211e+004 1.5642e+002 1.5945e+002
# -Range: 0-300
Alabandite
MnS +1.0000 H+ = + 1.0000 HS- + 1.0000 Mn++
log_k -0.3944
-delta_H -23.3216 kJ/mol # Calculated enthalpy of reaction Alabandite
# Enthalpy of formation: -51 kcal/mol
-analytic -1.5515e+002 -4.8820e-002 4.9049e+003 6.1765e+001 7.6583e+001
# -Range: 0-300
Alamosite
PbSiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 Pb++ + 1.0000 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+002 6.7871e-002 -8.1706e+003 -1.1582e+002 -1.3885e+002
# -Range: 0-200
Albite
NaAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 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+001 1.4429e-002 1.3784e+004 -7.2866e+000 -1.6136e+006
# -Range: 0-300
Albite_high
NaAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 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+001 1.3726e-002 1.4801e+004 -4.9732e+000 -1.6442e+006
# -Range: 0-300
Albite_low
NaAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 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 -1.2860e+001 1.4481e-002 1.3913e+004 -6.9417e+000 -1.6256e+006
# -Range: 0-300
Alstonite
BaCa(CO3)2 +2.0000 H+ = + 1.0000 Ba++ + 1.0000 Ca++ + 2.0000 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 = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 SO4-- + 12.0000 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+002 -2.5706e-001 2.2399e+004 3.5434e+002 3.4978e+002
# -Range: 0-300
Alunite
KAl3(OH)6(SO4)2 +6.0000 H+ = + 1.0000 K+ + 2.0000 SO4-- + 3.0000 Al+++ + 6.0000 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+002 -2.2455e-001 2.6886e+004 2.6758e+002 4.1973e+002
# -Range: 0-300
Am
Am +3.0000 H+ +0.7500 O2 = + 1.0000 Am+++ + 1.5000 H2O
log_k 169.3900
-delta_H -1036.36 kJ/mol # Calculated enthalpy of reaction Am
# Enthalpy of formation: 0 kJ/mol
-analytic -6.7924e+000 -8.9873e-003 5.3327e+004 0.0000e+000 0.0000e+000
# -Range: 0-300
Am(OH)3
Am(OH)3 +3.0000 H+ = + 1.0000 Am+++ + 3.0000 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 +3.0000 H+ = + 1.0000 Am+++ + 3.0000 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 +3.0000 H+ = + 2.0000 Am+++ + 3.0000 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 +4.5000 O2 +3.0000 H+ = + 2.0000 Am+++ + 3.0000 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+002 -4.2636e-003 1.4463e+005 -1.2891e+002 2.4559e+003
# -Range: 0-200
Am2O3
Am2O3 +6.0000 H+ = + 2.0000 Am+++ + 3.0000 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+001 -1.8883e-002 2.3028e+004 2.9192e+001 3.5935e+002
# -Range: 0-300
AmBr3
AmBr3 = + 1.0000 Am+++ + 3.0000 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+001 -3.0622e-002 6.1964e+003 0.0000e+000 0.0000e+000
# -Range: 0-200
AmCl3
AmCl3 = + 1.0000 Am+++ + 3.0000 Cl-
log_k 14.3513
-delta_H -140.139 kJ/mol # Calculated enthalpy of reaction AmCl3
# Enthalpy of formation: -977.8 kJ/mol
-analytic -1.5000e+001 -3.6701e-002 5.2281e+003 9.1942e+000 8.8785e+001
# -Range: 0-200
AmF3
AmF3 = + 1.0000 Am+++ + 3.0000 F-
log_k -13.1190
-delta_H -34.7428 kJ/mol # Calculated enthalpy of reaction AmF3
# Enthalpy of formation: -1588 kJ/mol
-analytic -4.0514e+001 -3.7312e-002 4.1626e+002 1.4999e+001 7.0827e+000
# -Range: 0-200
AmF4
AmF4 = + 1.0000 Am++++ + 4.0000 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+001 -4.5210e-002 -9.7251e+001 1.5457e+001 -1.6348e+000
# -Range: 0-200
AmH2
AmH2 +2.0000 H+ +1.0000 O2 = + 1.0000 Am++ + 2.0000 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+001 -1.4062e-002 3.6259e+004 -8.1600e+000 5.6578e+002
# -Range: 0-300
AmI3
AmI3 = + 1.0000 Am+++ + 3.0000 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+001 -3.6651e-002 7.2094e+003 1.0247e+001 1.2243e+002
# -Range: 0-200
AmO2
AmO2 +4.0000 H+ = + 1.0000 Am++++ + 2.0000 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+001 -1.1661e-002 4.2059e+003 2.2070e+001 6.5650e+001
# -Range: 0-300
AmOBr
AmOBr +2.0000 H+ = + 1.0000 Am+++ + 1.0000 Br- + 1.0000 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+001 -1.7071e-002 7.3438e+003 1.5605e+001 1.2472e+002
# -Range: 0-200
AmOCl
AmOCl +2.0000 H+ = + 1.0000 Am+++ + 1.0000 Cl- + 1.0000 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+002 -4.1027e-002 8.6801e+003 4.6651e+001 1.3548e+002
# -Range: 0-300
AmOHCO3
AmOHCO3 +2.0000 H+ = + 1.0000 Am+++ + 1.0000 H2O + 1.0000 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 +1.0000 H+ = + 1.0000 Am+++ + 1.0000 HPO4--
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 +20.0000 H+ = + 2.0000 SiO2 + 4.0000 Al+++ + 4.0000 Mg++ + 14.0000 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+002 -1.4144e-001 5.4150e+004 1.9361e+002 8.4512e+002
# -Range: 0-300
Analcime
Na.96Al.96Si2.04O6:H2O +3.8400 H+ = + 0.9600 Al+++ + 0.9600 Na+ + 2.0400 SiO2 + 2.9200 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+000 6.6052e-003 9.8260e+003 -4.8540e+000 -8.8780e+005
# -Range: 0-300
Analcime-dehy
Na.96Al.96Si2.04O6 +3.8400 H+ = + 0.9600 Al+++ + 0.9600 Na+ + 1.9200 H2O + 2.0400 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+000 5.6181e-003 1.2185e+004 -5.0295e+000 -9.3890e+005
# -Range: 0-300
Anatase
TiO2 +2.0000 H2O = + 1.0000 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 +6.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 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+001 -3.2234e-002 1.2308e+004 2.2357e+001 1.9208e+002
# -Range: 0-300
Andradite
Ca3Fe2(SiO4)3 +12.0000 H+ = + 2.0000 Fe+++ + 3.0000 Ca++ + 3.0000 SiO2 + 6.0000 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+001 -2.3886e-002 1.5314e+004 -8.1606e+000 -4.2193e+005
# -Range: 0-300
Anglesite
PbSO4 = + 1.0000 Pb++ + 1.0000 SO4--
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+002 -7.3849e-002 2.8528e+003 7.6936e+001 4.4570e+001
# -Range: 0-300
Anhydrite
CaSO4 = + 1.0000 Ca++ + 1.0000 SO4--
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+002 -7.8823e-002 5.0969e+003 8.5642e+001 7.9594e+001
# -Range: 0-300
Annite
KFe3AlSi3O10(OH)2 +10.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 3.0000 Fe++ + 3.0000 SiO2 + 6.0000 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+001 -1.4238e-002 1.8929e+004 7.9859e+000 -8.4343e+005
# -Range: 0-300
Anorthite
CaAl2(SiO4)2 +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 2.0000 SiO2 + 4.0000 H2O
log_k 26.5780
-delta_H -303.039 kJ/mol # Calculated enthalpy of reaction Anorthite
# Enthalpy of formation: -1007.55 kcal/mol
-analytic 3.9717e-001 -1.8751e-002 1.4897e+004 -6.3078e+000 -2.3885e+005
# -Range: 0-300
Antarcticite
CaCl2:6H2O = + 1.0000 Ca++ + 2.0000 Cl- + 6.0000 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 +14.0000 H+ = + 7.0000 Mg++ + 8.0000 H2O + 8.0000 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+002 1.9705e-002 5.4853e+004 1.9444e+001 -3.8080e+006
# -Range: 0-300
Antigorite
# Mg48Si24O85(OH)62 +96.0000 H+ = + 34.0000 SiO2 + 48.0000 Mg++ + 79.0000 H2O
Mg48Si34O85(OH)62 +96.0000 H+ = + 34.0000 SiO2 + 48.0000 Mg++ + 79.0000 H2O
log_k 477.1943
-delta_H -3364.43 kJ/mol # Calculated enthalpy of reaction Antigorite
# Enthalpy of formation: -17070.9 kcal/mol
-analytic -8.1630e+002 -6.7780e-002 2.5998e+005 2.2029e+002 -9.3275e+006
# -Range: 0-300
Antlerite
Cu3(SO4)(OH)4 +4.0000 H+ = + 1.0000 SO4-- + 3.0000 Cu++ + 4.0000 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 = + 1.0000 Na+ + 2.0000 SO4-- + 3.0000 K+
log_k -3.8878
-delta_H 0 # Not possible to calculate enthalpy of reaction Aphthitalite
# Enthalpy of formation: 0 kcal/mol
Aragonite
CaCO3 +1.0000 H+ = + 1.0000 Ca++ + 1.0000 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+002 -4.8043e-002 4.9089e+003 6.0284e+001 7.6644e+001
# -Range: 0-300
Arcanite
K2SO4 = + 1.0000 SO4-- + 2.0000 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+002 -6.7762e-002 1.9879e+003 7.1116e+001 3.1067e+001
# -Range: 0-300
Arsenolite
As2O3 +3.0000 H2O = + 2.0000 H+ + 2.0000 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+000 -1.9397e-002 -6.0894e+003 4.7458e-001 -1.0341e+002
# -Range: 0-200
Arsenopyrite
FeAsS +1.5000 H2O +0.5000 H+ = + 0.5000 AsH3 + 0.5000 H2AsO3- + 1.0000 Fe++ + 1.0000 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 +3.0000 H+ = + 1.0000 HCO3- + 2.0000 Mg++ + 5.0000 H2O
log_k 19.6560
-delta_H -130.432 kJ/mol # Calculated enthalpy of reaction Artinite
# Enthalpy of formation: -698.043 kcal/mol
-analytic -2.8614e+002 -6.7344e-002 1.5230e+004 1.1104e+002 2.3773e+002
# -Range: 0-300
As
As +1.5000 H2O +0.7500 O2 = + 1.0000 H+ + 1.0000 H2AsO3-
log_k 42.7079
-delta_H -276.937 kJ/mol # Calculated enthalpy of reaction As
# Enthalpy of formation: 0 kJ/mol
-analytic -3.4700e+001 -3.1772e-002 1.3788e+004 1.6411e+001 2.1517e+002
# -Range: 0-300
As2O5
As2O5 +3.0000 H2O = + 2.0000 H+ + 2.0000 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+002 -6.3459e-002 4.1222e+003 6.0369e+001 6.4365e+001
# -Range: 0-300
As4O6(cubi)
As4O6 +6.0000 H2O = + 4.0000 H+ + 4.0000 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 -2.6300e+002 -1.1822e-001 -4.9004e+003 1.1108e+002 -7.6389e+001
# -Range: 0-300
As4O6(mono)
As4O6 +6.0000 H2O = + 4.0000 H+ + 4.0000 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+000 -3.8823e-002 -1.1985e+004 9.9966e-001 -2.0352e+002
# -Range: 0-200
Atacamite
Cu4Cl2(OH)6 +6.0000 H+ = + 2.0000 Cl- + 4.0000 Cu++ + 6.0000 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+002 -4.8121e-002 1.5315e+004 9.8395e+001 2.6016e+002
# -Range: 0-200
Au
Au +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Au+
log_k -7.0864
-delta_H 59.189 kJ/mol # Calculated enthalpy of reaction Au
# Enthalpy of formation: 0 kcal/mol
-analytic -7.6610e-001 -2.8520e-003 -3.0861e+003 1.9705e+000 -4.8156e+001
# -Range: 0-300
Autunite-H
H2(UO2)2(PO4)2 = + 2.0000 HPO4-- + 2.0000 UO2++
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+001 -3.8038e-002 -6.8629e+002 8.2724e+000 -1.1644e+001
# -Range: 0-200
Azurite
Cu3(CO3)2(OH)2 +4.0000 H+ = + 2.0000 H2O + 2.0000 HCO3- + 3.0000 Cu++
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+002 -1.1934e-001 1.8053e+004 1.7158e+002 2.8182e+002
# -Range: 0-300
B
B +1.5000 H2O +0.7500 O2 = + 1.0000 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+001 1.2577e-003 2.9653e+004 -2.8593e+001 4.6268e+002
# -Range: 0-300
B2O3
B2O3 +3.0000 H2O = + 2.0000 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+001 5.5365e-003 -2.6629e+003 -3.1553e+001 -4.1578e+001
# -Range: 0-300
Ba
Ba +2.0000 H+ +0.5000 O2 = + 1.0000 Ba++ + 1.0000 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+001 -1.3917e-002 4.2849e+004 1.0786e+001 6.6863e+002
# -Range: 0-300
Ba(OH)2:8H2O
Ba(OH)2:8H2O +2.0000 H+ = + 1.0000 Ba++ + 10.0000 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+002 -1.5791e-003 1.4097e+004 8.7518e+001 2.3947e+002
# -Range: 0-200
Ba2Si3O8
Ba2Si3O8 +4.0000 H+ = + 2.0000 Ba++ + 2.0000 H2O + 3.0000 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+001 9.3125e-003 2.3147e+004 2.2012e+001 -2.1714e+006
# -Range: 0-300
Ba2SiO4
Ba2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Ba++ + 2.0000 H2O
log_k 44.5930
-delta_H -237.206 kJ/mol # Calculated enthalpy of reaction Ba2SiO4
# Enthalpy of formation: -2287.46 kJ/mol
-analytic -7.0350e+000 -5.1744e-003 1.4786e+004 3.1091e+000 -3.6972e+005
# -Range: 0-300
Ba2U2O7
Ba2U2O7 +6.0000 H+ = + 2.0000 Ba++ + 2.0000 UO2+ + 3.0000 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+001 5.3866e-003 1.6852e+004 2.8647e+001 2.8621e+002
# -Range: 0-200
Ba3UO6
Ba3UO6 +8.0000 H+ = + 1.0000 UO2++ + 3.0000 Ba++ + 4.0000 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+002 -1.7395e-002 3.3977e+004 4.6715e+001 5.7703e+002
# -Range: 0-200
BaBr2
BaBr2 = + 1.0000 Ba++ + 2.0000 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+002 -7.1918e-002 4.7187e+003 7.6010e+001 7.3683e+001
# -Range: 0-300
BaBr2:2H2O
BaBr2:2H2O = + 1.0000 Ba++ + 2.0000 Br- + 2.0000 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+001 -1.6281e-002 -8.5727e+002 1.0296e+001 -1.4552e+001
# -Range: 0-200
BaCl2
BaCl2 = + 1.0000 Ba++ + 2.0000 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+002 -7.8925e-002 4.8846e+003 8.6204e+001 7.6280e+001
# -Range: 0-300
BaCl2:2H2O
BaCl2:2H2O = + 1.0000 Ba++ + 2.0000 Cl- + 2.0000 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 -2.0350e+002 -7.3577e-002 3.7914e+003 8.6051e+001 5.9221e+001
# -Range: 0-300
BaCl2:H2O
BaCl2:H2O = + 1.0000 Ba++ + 1.0000 H2O + 2.0000 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+002 -7.3938e-002 4.0553e+003 8.2842e+001 6.3336e+001
# -Range: 0-300
BaCrO4
BaCrO4 = + 1.0000 Ba++ + 1.0000 CrO4--
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+001 -1.6617e-002 -3.6883e+003 -6.3687e+000 -6.2640e+001
# -Range: 0-200
BaHPO4
BaHPO4 = + 1.0000 Ba++ + 1.0000 HPO4--
log_k -7.4000
-delta_H 0 # Not possible to calculate enthalpy of reaction BaHPO4
# Enthalpy of formation: 0 kcal/mol
BaI2
BaI2 = + 1.0000 Ba++ + 2.0000 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+002 -7.2206e-002 5.8696e+003 7.5974e+001 9.1641e+001
# -Range: 0-300
BaMnO4
BaMnO4 = + 1.0000 Ba++ + 1.0000 MnO4--
log_k -10.0900
-delta_H 0 # Not possible to calculate enthalpy of reaction BaMnO4
# Enthalpy of formation: 0 kcal/mol
BaO
BaO +2.0000 H+ = + 1.0000 Ba++ + 1.0000 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+001 -1.7149e-002 1.6811e+004 2.8560e+001 -7.7510e+004
# -Range: 0-300
BaS
BaS +1.0000 H+ = + 1.0000 Ba++ + 1.0000 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+002 -4.3420e-002 7.4296e+003 4.9489e+001 1.1597e+002
# -Range: 0-300
BaSeO3
BaSeO3 = + 1.0000 Ba++ + 1.0000 SeO3--
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+001 -1.7073e-002 -2.4532e+003 -9.2936e+000 -4.1669e+001
# -Range: 0-200
BaSeO4
BaSeO4 = + 1.0000 Ba++ + 1.0000 SeO4--
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+001 -1.6289e-002 -2.8520e+003 -6.9949e+000 -4.8439e+001
# -Range: 0-200
BaSiF6
BaSiF6 +2.0000 H2O = + 1.0000 Ba++ + 1.0000 SiO2 + 4.0000 H+ + 6.0000 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+000 -3.8410e-002 0.0000e+000 0.0000e+000 -1.2701e+006
# -Range: 0-200
BaU2O7
BaU2O7 +6.0000 H+ = + 1.0000 Ba++ + 2.0000 UO2++ + 3.0000 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+002 -1.0941e-002 1.4452e+004 4.0125e+001 2.4546e+002
# -Range: 0-200
BaUO4
BaUO4 +4.0000 H+ = + 1.0000 Ba++ + 1.0000 UO2++ + 2.0000 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+001 -1.6340e-002 8.7592e+003 2.4571e+001 1.3670e+002
# -Range: 0-300
BaZrO3
BaZrO3 +4.0000 H+ = + 1.0000 Ba++ + 1.0000 H2O + 1.0000 Zr(OH)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+001 -1.0096e-002 -2.4894e+004 1.8446e+001 -4.2271e+002
# -Range: 0-200
Baddeleyite
ZrO2 +2.0000 H+ = + 1.0000 Zr(OH)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-001 -4.6374e-003 -1.0635e+003 -1.1055e+000 -1.6595e+001
# -Range: 0-300
Barite
BaSO4 = + 1.0000 Ba++ + 1.0000 SO4--
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+002 -7.5521e-002 2.0790e+003 7.7998e+001 3.2497e+001
# -Range: 0-300
Barytocalcite
BaCa(CO3)2 +2.0000 H+ = + 1.0000 Ba++ + 1.0000 Ca++ + 2.0000 HCO3-
log_k 2.7420
-delta_H 0 # Not possible to calculate enthalpy of reaction Barytocalcite
# Enthalpy of formation: 0 kcal/mol
Bassanite
CaSO4:0.5H2O = + 0.5000 H2O + 1.0000 Ca++ + 1.0000 SO4--
log_k -3.6615
-delta_H -18.711 kJ/mol # Calculated enthalpy of reaction Bassanite
# Enthalpy of formation: -1576.89 kJ/mol
-analytic -2.2010e+002 -8.0230e-002 5.5092e+003 8.9651e+001 8.6031e+001
# -Range: 0-300
Bassetite
Fe(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Fe++ + 2.0000 HPO4-- + 2.0000 UO2++
log_k -17.7240
-delta_H -114.841 kJ/mol # Calculated enthalpy of reaction Bassetite
# Enthalpy of formation: -1099.33 kcal/mol
-analytic -5.7788e+001 -4.5400e-002 4.0119e+003 1.6216e+001 6.8147e+001
# -Range: 0-200
Be
Be +2.0000 H+ +0.5000 O2 = + 1.0000 Be++ + 1.0000 H2O
log_k 104.2077
-delta_H -662.608 kJ/mol # Calculated enthalpy of reaction Be
# Enthalpy of formation: 0 kJ/mol
-analytic -9.3960e+001 -2.4749e-002 3.6714e+004 3.3295e+001 5.7291e+002
# -Range: 0-300
Be13U
Be13U +30.0000 H+ +7.5000 O2 = + 1.0000 U++++ + 13.0000 Be++ + 15.0000 H2O
log_k 1504.5350
-delta_H -9601.04 kJ/mol # Calculated enthalpy of reaction Be13U
# Enthalpy of formation: -163.6 kJ/mol
-analytic -1.2388e+003 -3.2848e-001 5.2816e+005 4.3222e+002 8.2419e+003
# -Range: 0-300
Beidellite-Ca
Ca.165Al2.33Si3.67O10(OH)2 +7.3200 H+ = + 0.1650 Ca++ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 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+001 4.4178e-003 1.5296e+004 -2.2343e+001 -1.4025e+006
# -Range: 0-300
Beidellite-Cs
Cs.33Si3.67Al2.33O10(OH)2 +7.3200 H+ = + 0.3300 Cs+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 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+001 2.1705e-003 1.4504e+004 -2.0250e+001 -1.3712e+006
# -Range: 0-300
Beidellite-H
H.33Al2.33Si3.67O10(OH)2 +6.9900 H+ = + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 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 5.4070e+000 3.4064e-003 1.6284e+004 -1.6028e+001 -1.5014e+006
# -Range: 0-300
Beidellite-K
K.33Al2.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 K+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 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+001 3.4419e-003 1.5760e+004 -1.7333e+001 -1.4779e+006
# -Range: 0-300
Beidellite-Mg
Mg.165Al2.33Si3.67O10(OH)2 +7.3200 H+ = + 0.1650 Mg++ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 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+001 3.0420e-003 1.5947e+004 -1.8728e+001 -1.4242e+006
# -Range: 0-300
Beidellite-Na
Na.33Al2.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 Na+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 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+001 3.9871e-003 1.5818e+004 -1.7762e+001 -1.4485e+006
# -Range: 0-300
Berlinite
AlPO4 +1.0000 H+ = + 1.0000 Al+++ + 1.0000 HPO4--
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+002 -9.9933e-002 1.0308e+004 1.0883e+002 1.6094e+002
# -Range: 0-300
Berndtite
SnS2 = + 1.0000 S2-- + 1.0000 Sn++
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+002 -7.6462e-002 -4.9879e+003 8.4082e+001 -7.7772e+001
# -Range: 0-300
Bieberite
CoSO4:7H2O = + 1.0000 Co++ + 1.0000 SO4-- + 7.0000 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+002 -7.2497e-002 6.6673e+003 1.0538e+002 1.0411e+002
# -Range: 0-300
Birnessite
Mn8O14:5H2O +4.0000 H+ = + 3.0000 MnO4-- + 5.0000 Mn++ + 7.0000 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 = + 1.0000 Mg++ + 2.0000 Cl- + 6.0000 H2O
log_k 4.3923
-delta_H 0 # Not possible to calculate enthalpy of reaction Bischofite
# Enthalpy of formation: 0 kcal/mol
Bixbyite
Mn2O3 +6.0000 H+ = + 2.0000 Mn+++ + 3.0000 H2O
log_k -0.9655
-delta_H -190.545 kJ/mol # Calculated enthalpy of reaction Bixbyite
# Enthalpy of formation: -958.971 kJ/mol
-analytic -1.1600e+002 -2.8056e-003 1.3418e+004 2.8639e+001 2.0941e+002
# -Range: 0-300
Bloedite
Na2Mg(SO4)2:4H2O = + 1.0000 Mg++ + 2.0000 Na+ + 2.0000 SO4-- + 4.0000 H2O
log_k -2.4777
-delta_H 0 # Not possible to calculate enthalpy of reaction Bloedite
# Enthalpy of formation: 0 kcal/mol
Boehmite
AlO2H +3.0000 H+ = + 1.0000 Al+++ + 2.0000 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+002 -3.1138e-002 8.8643e+003 4.4075e+001 1.3835e+002
# -Range: 0-300
Boltwoodite
K(H3O)(UO2)SiO4 +3.0000 H+ = + 1.0000 K+ + 1.0000 SiO2 + 1.0000 UO2++ + 3.0000 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 +3.0000 H+ = + 0.3000 K+ + 0.7000 Na+ + 1.0000 SiO2 + 1.0000 UO2++ + 4.0000 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 +2.0000 H+ = + 2.0000 Na+ + 4.0000 B(OH)3 + 5.0000 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+001 1.9328e-002 -5.3279e+003 -2.1914e+001 -8.3160e+001
# -Range: 0-300
Boric_acid
B(OH)3 = + 1.0000 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+001 6.4058e-003 -2.2525e+003 -1.3592e+001 -3.5160e+001
# -Range: 0-300
Bornite
Cu5FeS4 +4.0000 H+ = + 1.0000 Cu++ + 1.0000 Fe++ + 4.0000 Cu+ + 4.0000 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+002 -2.0082e-001 -9.1376e+003 2.8004e+002 -1.4238e+002
# -Range: 0-300
Brezinaite
Cr3S4 +4.0000 H+ = + 1.0000 Cr++ + 2.0000 Cr+++ + 4.0000 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+001 -3.6568e-002 1.0598e+004 1.9665e+001 1.8000e+002
# -Range: 0-200
Brochantite
Cu4(SO4)(OH)6 +6.0000 H+ = + 1.0000 SO4-- + 4.0000 Cu++ + 6.0000 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+002 -3.9046e-002 1.5970e+004 8.4701e+001 2.7127e+002
# -Range: 0-200
Bromellite
BeO +2.0000 H+ = + 1.0000 Be++ + 1.0000 H2O
log_k 1.1309
-delta_H -59.2743 kJ/mol # Calculated enthalpy of reaction Bromellite
# Enthalpy of formation: -609.4 kJ/mol
-analytic 1.4790e+002 -4.6004e-001 -3.2577e+004 4.0273e+001 -5.0837e+002
# -Range: 0-300
Brucite
Mg(OH)2 +2.0000 H+ = + 1.0000 Mg++ + 2.0000 H2O
log_k 16.2980
-delta_H -111.34 kJ/mol # Calculated enthalpy of reaction Brucite
# Enthalpy of formation: -221.39 kcal/mol
-analytic -1.0280e+002 -1.9759e-002 9.0180e+003 3.8282e+001 1.4075e+002
# -Range: 0-300
Brushite
CaHPO4:2H2O = + 1.0000 Ca++ + 1.0000 HPO4-- + 2.0000 H2O
log_k 6.5500
-delta_H 0 # Not possible to calculate enthalpy of reaction Brushite
# Enthalpy of formation: 0 kcal/mol
Bunsenite
NiO +2.0000 H+ = + 1.0000 H2O + 1.0000 Ni++
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+001 -1.9796e-002 7.4064e+003 3.0385e+001 1.1559e+002
# -Range: 0-300
Burkeite
Na6CO3(SO4)2 +1.0000 H+ = + 1.0000 HCO3- + 2.0000 SO4-- + 6.0000 Na+
log_k 9.4866
-delta_H 0 # Not possible to calculate enthalpy of reaction Burkeite
# Enthalpy of formation: 0 kcal/mol
C
C +1.0000 H2O +1.0000 O2 = + 1.0000 H+ + 1.0000 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+001 -3.3691e-002 1.9774e+004 1.7548e+001 3.0856e+002
# -Range: 0-300
Ca
Ca +2.0000 H+ +0.5000 O2 = + 1.0000 Ca++ + 1.0000 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+002 -2.6554e-002 4.7638e+004 4.1989e+001 -2.3545e+005
# -Range: 0-300
Ca-Al_Pyroxene
CaAl2SiO6 +8.0000 H+ = + 1.0000 Ca++ + 1.0000 SiO2 + 2.0000 Al+++ + 4.0000 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+002 -5.0409e-002 2.1045e+004 5.1318e+001 3.2843e+002
# -Range: 0-300
Ca2Al2O5:8H2O
Ca2Al2O5:8H2O +10.0000 H+ = + 2.0000 Al+++ + 2.0000 Ca++ + 13.0000 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 +2.0000 H+ = + 2.0000 Ca++ + 2.0000 Cl- + 3.0000 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 +1.0000 H2O = + 2.0000 Ca++ + 2.0000 H+ + 2.0000 VO4---
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 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Ca++
log_k 17.8160
-delta_H -149.956 kJ/mol # Calculated enthalpy of reaction Ca3(AsO4)2
# Enthalpy of formation: -3298.41 kJ/mol
-analytic -1.4011e+002 -4.2945e-002 1.0981e+004 5.4107e+001 1.8652e+002
# -Range: 0-200
Ca3Al2O6
Ca3Al2O6 +12.0000 H+ = + 2.0000 Al+++ + 3.0000 Ca++ + 6.0000 H2O
log_k 113.0460
-delta_H -833.336 kJ/mol # Calculated enthalpy of reaction Ca3Al2O6
# Enthalpy of formation: -857.492 kcal/mol
-analytic -2.7163e+002 -5.2897e-002 5.0815e+004 9.2946e+001 8.6300e+002
# -Range: 0-200
Ca3V2O8
Ca3V2O8 = + 2.0000 VO4--- + 3.0000 Ca++
log_k -18.3234
-delta_H 0 # Not possible to calculate enthalpy of reaction Ca3V2O8
# Enthalpy of formation: -3778.1 kJ/mol
Ca4Al2Fe2O10
Ca4Al2Fe2O10 +20.0000 H+ = + 2.0000 Al+++ + 2.0000 Fe+++ + 4.0000 Ca++ + 10.0000 H2O
log_k 140.5050
-delta_H -1139.86 kJ/mol # Calculated enthalpy of reaction Ca4Al2Fe2O10
# Enthalpy of formation: -1211 kcal/mol
-analytic -4.1808e+002 -8.2787e-002 7.0288e+004 1.4043e+002 1.1937e+003
# -Range: 0-200
Ca4Al2O7:13H2O
Ca4Al2O7:13H2O +14.0000 H+ = + 2.0000 Al+++ + 4.0000 Ca++ + 20.0000 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 +14.0000 H+ = + 2.0000 Al+++ + 4.0000 Ca++ + 26.0000 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 +6.0000 H+ = + 2.0000 Cl- + 4.0000 Ca++ + 19.0000 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 +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 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+002 -7.9356e-002 3.0096e+004 1.1049e+002 4.6971e+002
# -Range: 0-300
CaAl2O4:10H2O
CaAl2O4:10H2O +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 14.0000 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 +14.0000 H+ = + 1.0000 Ca++ + 4.0000 Al+++ + 7.0000 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+002 -6.7078e-002 4.4566e+004 1.0085e+002 7.5689e+002
# -Range: 0-200
CaSO4:0.5H2O(beta)
CaSO4:0.5H2O = + 0.5000 H2O + 1.0000 Ca++ + 1.0000 SO4--
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+002 -8.2832e-002 5.9132e+003 9.3705e+001 9.2338e+001
# -Range: 0-300
CaSeO3:2H2O
CaSeO3:2H2O = + 1.0000 Ca++ + 1.0000 SeO3-- + 2.0000 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+001 -2.0735e-002 9.7870e+002 1.6180e+001 1.6634e+001
# -Range: 0-200
CaSeO4
CaSeO4 = + 1.0000 Ca++ + 1.0000 SeO4--
log_k -3.0900
-delta_H 0 # Not possible to calculate enthalpy of reaction CaSeO4
# Enthalpy of formation: 0 kcal/mol
CaUO4
CaUO4 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 UO2++ + 2.0000 H2O
log_k 15.9420
-delta_H -131.46 kJ/mol # Calculated enthalpy of reaction CaUO4
# Enthalpy of formation: -2002.3 kJ/mol
-analytic -8.7902e+001 -1.9810e-002 9.2354e+003 3.1832e+001 1.4414e+002
# -Range: 0-300
CaV2O6
CaV2O6 +2.0000 H2O = + 1.0000 Ca++ + 2.0000 VO4--- + 4.0000 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 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O + 1.0000 Zr(OH)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+001 -1.4388e-002 -3.9635e+004 2.6932e+001 -6.7303e+002
# -Range: 0-200
Cadmoselite
CdSe = + 1.0000 Cd++ + 1.0000 Se--
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+001 -1.3973e-002 -5.8989e+003 1.7591e+001 -9.2031e+001
# -Range: 0-300
Calcite
CaCO3 +1.0000 H+ = + 1.0000 Ca++ + 1.0000 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+002 -4.8370e-002 4.8974e+003 6.0458e+001 7.6464e+001
# -Range: 0-300
Calomel
Hg2Cl2 = + 1.0000 Hg2++ + 2.0000 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+001 -2.5540e-002 -2.8439e+003 1.9475e+001 -4.8277e+001
# -Range: 0-200
Carnallite
KMgCl3:6H2O = + 1.0000 K+ + 1.0000 Mg++ + 3.0000 Cl- + 6.0000 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 = + 2.0000 K+ + 2.0000 UO2++ + 2.0000 VO4---
log_k -56.3811
-delta_H 0 # Not possible to calculate enthalpy of reaction Carnotite
# Enthalpy of formation: -1173.9 kJ/mol
Cassiterite
SnO2 +2.0000 H+ = + 0.5000 O2 + 1.0000 H2O + 1.0000 Sn++
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+001 -1.5743e-002 -1.1497e+004 3.4917e+001 -1.7937e+002
# -Range: 0-300
Cattierite
CoS2 = + 1.0000 Co++ + 1.0000 S2--
log_k -29.9067
-delta_H 0 # Not possible to calculate enthalpy of reaction Cattierite
# Enthalpy of formation: -36.589 kcal/mol
-analytic -2.1970e+002 -7.8585e-002 -1.9592e+003 8.8809e+001 -3.0507e+001
# -Range: 0-300
Cd
Cd +2.0000 H+ +0.5000 O2 = + 1.0000 Cd++ + 1.0000 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+001 -2.0250e-002 2.0474e+004 2.6814e+001 -3.2348e+004
# -Range: 0-300
Cd(BO2)2
Cd(BO2)2 +2.0000 H+ +2.0000 H2O = + 1.0000 Cd++ + 2.0000 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 = + 1.0000 Cd++ + 2.0000 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 +2.0000 H+ = + 1.0000 Cd++ + 2.0000 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+001 -6.9251e-003 7.4684e+003 2.7380e+001 1.2685e+002
# -Range: 0-200
Cd(OH)Cl
Cd(OH)Cl +1.0000 H+ = + 1.0000 Cd++ + 1.0000 Cl- + 1.0000 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+001 -1.5809e-002 2.5333e+003 1.8279e+001 4.3035e+001
# -Range: 0-200
Cd3(AsO4)2
Cd3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Cd++
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 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Cd++
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 +4.0000 H+ = + 1.0000 SO4-- + 3.0000 Cd++ + 4.0000 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 +2.0000 H+ = + 2.0000 H2O + 2.0000 SO4-- + 3.0000 Cd++
log_k 6.7180
-delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(SO4)2(OH)2
# Enthalpy of formation: 0 kcal/mol
CdBr2
CdBr2 = + 1.0000 Cd++ + 2.0000 Br-
log_k -1.8470
-delta_H -2.67548 kJ/mol # Calculated enthalpy of reaction CdBr2
# Enthalpy of formation: -316.229 kJ/mol
-analytic 1.3056e+000 -2.0628e-002 -1.3318e+003 3.0126e+000 -2.2616e+001
# -Range: 0-200
CdBr2:4H2O
CdBr2:4H2O = + 1.0000 Cd++ + 2.0000 Br- + 4.0000 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+002 -2.1045e-002 1.6896e+003 3.9864e+001 2.8726e+001
# -Range: 0-200
CdCl2
CdCl2 = + 1.0000 Cd++ + 2.0000 Cl-
log_k -0.6474
-delta_H -18.5391 kJ/mol # Calculated enthalpy of reaction CdCl2
# Enthalpy of formation: -391.518 kJ/mol
-analytic -1.5230e+001 -2.4574e-002 -8.1017e+001 8.9599e+000 -1.3702e+000
# -Range: 0-200
CdCl2(NH3)2
CdCl2(NH3)2 = + 1.0000 Cd++ + 2.0000 Cl- + 2.0000 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+001 -2.1791e-002 -2.1150e+003 2.4279e+001 -3.5896e+001
# -Range: 0-200
CdCl2(NH3)4
CdCl2(NH3)4 = + 1.0000 Cd++ + 2.0000 Cl- + 4.0000 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+001 -1.8853e-002 -8.3875e+002 3.9322e+001 -1.4210e+001
# -Range: 0-200
CdCl2(NH3)6
CdCl2(NH3)6 = + 1.0000 Cd++ + 2.0000 Cl- + 6.0000 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+002 -1.5941e-002 5.8572e+002 5.4415e+001 9.9937e+000
# -Range: 0-200
CdCl2:H2O
CdCl2:H2O = + 1.0000 Cd++ + 1.0000 H2O + 2.0000 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+001 -2.4685e-002 5.2687e+002 1.8188e+001 8.9615e+000
# -Range: 0-200
CdCr2O4
CdCr2O4 +8.0000 H+ = + 1.0000 Cd++ + 2.0000 Cr+++ + 4.0000 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+002 -9.1086e-003 1.9223e+004 5.1605e+001 3.2650e+002
# -Range: 0-200
CdF2
CdF2 = + 1.0000 Cd++ + 2.0000 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+001 -2.4790e-002 1.7893e+003 1.2482e+001 3.0395e+001
# -Range: 0-200
CdI2
CdI2 = + 1.0000 Cd++ + 2.0000 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+001 -2.4758e-002 -1.6422e+003 1.0041e+001 -2.7882e+001
# -Range: 0-200
CdS
CdS +1.0000 H+ = + 1.0000 Cd++ + 1.0000 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+001 -1.5181e-002 -3.4695e+003 1.2019e+001 -5.8907e+001
# -Range: 0-200
CdSO4
CdSO4 = + 1.0000 Cd++ + 1.0000 SO4--
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+000 -1.7161e-002 8.7067e+002 -2.2763e+000 1.4783e+001
# -Range: 0-200
CdSO4:2.667H2O
CdSO4:2.667H2O = + 1.0000 Cd++ + 1.0000 SO4-- + 2.6670 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+001 -1.4983e-002 2.0271e+003 1.8665e+001 3.4440e+001
# -Range: 0-200
CdSO4:H2O
CdSO4:H2O = + 1.0000 Cd++ + 1.0000 H2O + 1.0000 SO4--
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+001 -1.7295e-002 9.9184e+002 6.9943e+000 1.6849e+001
# -Range: 0-200
CdSeO3
CdSeO3 = + 1.0000 Cd++ + 1.0000 SeO3--
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+000 -1.8892e-002 -1.4680e+003 -2.1984e+000 -2.4932e+001
# -Range: 0-200
CdSeO4
CdSeO4 = + 1.0000 Cd++ + 1.0000 SeO4--
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+000 -1.9755e-002 7.3162e+002 2.5063e+000 1.2426e+001
# -Range: 0-200
CdSiO3
CdSiO3 +2.0000 H+ = + 1.0000 Cd++ + 1.0000 H2O + 1.0000 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+002 6.2488e-002 -5.3518e+003 -1.0401e+002 -9.0973e+001
# -Range: 0-200
Ce
Ce +3.0000 H+ +0.7500 O2 = + 1.0000 Ce+++ + 1.5000 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+001 -2.6149e-002 5.8511e+004 1.8382e+001 9.1302e+002
# -Range: 0-300
Ce(OH)3
Ce(OH)3 +3.0000 H+ = + 1.0000 Ce+++ + 3.0000 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 +3.0000 H+ = + 1.0000 Ce+++ + 3.0000 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 +3.0000 H+ = + 2.0000 Ce+++ + 3.0000 HCO3- + 8.0000 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 +6.0000 H+ = + 2.0000 Ce+++ + 3.0000 H2O
log_k 62.3000
-delta_H 0 # Not possible to calculate enthalpy of reaction Ce2O3
# Enthalpy of formation: 0 kcal/mol
Ce3(PO4)4
Ce3(PO4)4 +4.0000 H+ = + 3.0000 Ce++++ + 4.0000 HPO4--
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 = + 0.5000 H2O + 1.0000 Ce+++ + 3.0000 F-
log_k -18.8000
-delta_H 0 # Not possible to calculate enthalpy of reaction CeF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
CeO2
CeO2 +4.0000 H+ = + 1.0000 Ce++++ + 2.0000 H2O
log_k -8.1600
-delta_H 0 # Not possible to calculate enthalpy of reaction CeO2
# Enthalpy of formation: 0 kcal/mol
CePO4:10H2O
CePO4:10H2O +1.0000 H+ = + 1.0000 Ce+++ + 1.0000 HPO4-- + 10.0000 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 +6.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 1.0000 Mg++ + 4.0000 H2O + 4.0000 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+001 1.7989e-002 1.8919e+004 -2.1219e+000 -2.0588e+006
# -Range: 0-300
Celestite
SrSO4 = + 1.0000 SO4-- + 1.0000 Sr++
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+002 -7.4552e-002 3.9050e+003 7.8416e+001 6.0991e+001
# -Range: 0-300
Cerussite
PbCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Pb++
log_k -3.2091
-delta_H 13.8992 kJ/mol # Calculated enthalpy of reaction Cerussite
# Enthalpy of formation: -168 kcal/mol
-analytic -1.2887e+002 -4.4372e-002 2.2336e+003 5.3091e+001 3.4891e+001
# -Range: 0-300
Chalcanthite
CuSO4:5H2O = + 1.0000 Cu++ + 1.0000 SO4-- + 5.0000 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+002 -1.5544e-002 3.6176e+003 4.1420e+001 6.1471e+001
# -Range: 0-200
Chalcedony
SiO2 = + 1.0000 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+000 9.3241e-003 4.0535e+003 -1.0830e+000 -7.5077e+005
# -Range: 0-300
Chalcocite
Cu2S +1.0000 H+ = + 1.0000 HS- + 2.0000 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+002 -4.0727e-002 -7.1694e+003 5.5963e+001 -1.1183e+002
# -Range: 0-300
Chalcocyanite
CuSO4 = + 1.0000 Cu++ + 1.0000 SO4--
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+000 -1.6933e-002 2.0097e+003 -1.8583e+000 3.4126e+001
# -Range: 0-200
Chalcopyrite
CuFeS2 +2.0000 H+ = + 1.0000 Cu++ + 1.0000 Fe++ + 2.0000 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+002 -9.8947e-002 8.3400e+002 1.2522e+002 1.3106e+001
# -Range: 0-300
Chamosite-7A
Fe2Al2SiO5(OH)4 +10.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 2.0000 Fe++ + 7.0000 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+002 -7.0890e-002 2.4619e+004 9.1789e+001 3.8424e+002
# -Range: 0-300
Chlorargyrite
AgCl = + 1.0000 Ag+ + 1.0000 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+001 -3.4624e-002 -1.1820e+003 4.0962e+001 -1.8415e+001
# -Range: 0-300
Chloromagnesite
MgCl2 = + 1.0000 Mg++ + 2.0000 Cl-
log_k 21.8604
-delta_H -158.802 kJ/mol # Calculated enthalpy of reaction Chloromagnesite
# Enthalpy of formation: -641.317 kJ/mol
-analytic -2.3640e+002 -8.2017e-002 1.3480e+004 9.5963e+001 2.1042e+002
# -Range: 0-300
Chromite
FeCr2O4 +8.0000 H+ = + 1.0000 Fe++ + 2.0000 Cr+++ + 4.0000 H2O
log_k 15.1685
-delta_H -267.755 kJ/mol # Calculated enthalpy of reaction Chromite
# Enthalpy of formation: -1444.83 kJ/mol
-analytic -1.9060e+002 -2.5695e-002 1.9465e+004 5.9865e+001 3.0379e+002
# -Range: 0-300
Chrysocolla
CuSiH4O5 +2.0000 H+ = + 1.0000 Cu++ + 1.0000 SiO2 + 3.0000 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 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 Mg++ + 5.0000 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+001 -1.1359e-002 1.8312e+004 2.9289e+001 -6.2342e+005
# -Range: 0-300
Cinnabar
HgS +1.0000 H+ = + 1.0000 HS- + 1.0000 Hg++
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+002 -4.6846e-002 -6.9806e+003 6.1639e+001 -1.0888e+002
# -Range: 0-300
Claudetite
As2O3 +3.0000 H2O = + 2.0000 H+ + 2.0000 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+002 -6.3704e-002 -2.1679e+003 5.9856e+001 -3.3787e+001
# -Range: 0-300
Clausthalite
PbSe = + 1.0000 Pb++ + 1.0000 Se--
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+001 -1.0666e-002 -8.5540e+003 8.9226e+000 -1.3347e+002
# -Range: 0-300
Clinochalcomenite
CuSeO3:2H2O = + 1.0000 Cu++ + 1.0000 SeO3-- + 2.0000 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+001 -1.8071e-002 2.0307e+003 1.5455e+001 3.4499e+001
# -Range: 0-200
Clinochlore-14A
Mg5Al2Si3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Mg++ + 12.0000 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+002 -6.2268e-002 3.5388e+004 6.9239e+001 5.5225e+002
# -Range: 0-300
Clinochlore-7A
Mg5Al2Si3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Mg++ + 12.0000 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+002 -6.4187e-002 3.6548e+004 7.4123e+001 5.7037e+002
# -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.017Si14.5330O46.922H21.844 +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
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+000 6.4960e-002 5.0630e+004 -4.6120e+001 -7.4699e+006
# -Range: 0-300
Clinoptilolite-Ca
Ca1.7335Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 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 -4.4820e+001 5.3696e-002 5.4878e+004 -3.1459e+001 -7.5491e+006
# -Range: 0-300
Clinoptilolite-Cs
Cs3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 14.5330 SiO2 + 17.8560 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+000 7.1997e-002 4.9675e+004 -4.1406e+001 -8.0632e+006
# -Range: 0-300
Clinoptilolite-K
K3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.5330 SiO2 + 17.8560 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+001 6.9480e-002 4.7718e+004 -4.7442e+001 -7.6907e+006
# -Range: 0-300
Clinoptilolite-NH4
(NH4)3.467Al3.45Fe.017Si14.533O36:10.922H2O +10.4010 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 NH3 + 14.5330 SiO2 + 17.8560 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 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8560 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+001 6.8377e-002 5.1962e+004 -3.3426e+001 -7.5586e+006
# -Range: 0-300
Clinoptilolite-Sr
Sr1.7335Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 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+001 6.7050e-002 5.0880e+004 -5.9597e+001 -7.3876e+006
# -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 +13.8680 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
log_k 25.8490
-delta_H -276.592 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy
# Enthalpy of formation: -17210.2 kJ/mol
-analytic -2.0505e+002 6.0155e-002 8.2682e+004 1.5333e+001 -9.1369e+006
# -Range: 0-300
Clinoptilolite-dehy-Ca
Ca1.7335Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 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+002 6.5698e-002 8.0229e+004 -1.2812e+001 -8.8320e+006
# -Range: 0-300
Clinoptilolite-dehy-Cs
Cs3.467Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 6.9340 H2O + 14.5330 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+002 7.9047e-002 7.7262e+004 -1.0422e+001 -9.4504e+006
# -Range: 0-300
Clinoptilolite-dehy-K
K3.467Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 6.9340 H2O + 14.5330 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+002 7.4761e-002 7.6067e+004 -1.1315e+001 -9.1389e+006
# -Range: 0-300
Clinoptilolite-dehy-NH4
(NH4)3.467Al3.45Fe.017Si14.533O36 +10.4010 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 NH3 + 6.9340 H2O + 14.5330 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 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 6.9340 H2O + 14.5330 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+002 7.6846e-002 7.8723e+004 -5.9741e+000 -8.9159e+006
# -Range: 0-300
Clinoptilolite-dehy-Sr
Sr1.7335Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 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 -1.8410e+002 6.0457e-002 8.3626e+004 6.4304e+000 -9.0962e+006
# -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 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 18.5790 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+001 7.1520e-002 4.6854e+004 -7.8023e+001 -7.0900e+006
# -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 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 13.1640 H2O + 14.5330 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+001 7.4922e-002 5.4544e+004 -4.1092e+001 -8.3387e+006
# -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 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.4330 H2O + 14.5330 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+001 7.3919e-002 5.0447e+004 -5.2790e+001 -7.8484e+006
# -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 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8110 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+000 7.2018e-002 5.0501e+004 -4.2851e+001 -7.4714e+006
# -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 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 20.8270 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-001 5.9065e-002 4.9985e+004 -4.4648e+001 -7.3382e+006
# -Range: 0-300
Clinozoisite
Ca2Al3Si3O12(OH) +13.0000 H+ = + 2.0000 Ca++ + 3.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O
log_k 43.2569
-delta_H -457.755 kJ/mol # Calculated enthalpy of reaction Clinozoisite
# Enthalpy of formation: -1643.78 kcal/mol
-analytic -2.8690e+001 -3.7056e-002 2.2770e+004 3.7880e+000 -2.5834e+005
# -Range: 0-300
Co
Co +2.0000 H+ +0.5000 O2 = + 1.0000 Co++ + 1.0000 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+001 -2.0172e-002 1.8888e+004 2.3391e+001 2.9474e+002
# -Range: 0-300
Co(NO3)2
Co(NO3)2 = + 1.0000 Co++ + 2.0000 NO3-
log_k 8.0000
-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 +2.0000 H+ = + 1.0000 Co++ + 2.0000 H2O
log_k 12.3000
-delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)2
# Enthalpy of formation: 0 kcal/mol
Co2SiO4
Co2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Co++ + 2.0000 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+000 -3.7985e-003 5.1554e+003 -1.5033e+000 -1.6100e+005
# -Range: 0-300
Co3(AsO4)2
Co3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Co++
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 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Co++
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 = + 1.0000 Co++ + 2.0000 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+002 -8.0936e-002 8.8631e+003 9.1528e+001 1.3837e+002
# -Range: 0-300
CoCl2:2H2O
CoCl2:2H2O = + 1.0000 Co++ + 2.0000 Cl- + 2.0000 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+001 -2.3390e-002 3.0519e+003 2.3361e+001 5.1845e+001
# -Range: 0-200
CoCl2:6H2O
CoCl2:6H2O = + 1.0000 Co++ + 2.0000 Cl- + 6.0000 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+002 -2.2132e-002 5.0591e+003 5.7743e+001 8.5962e+001
# -Range: 0-200
CoF2
CoF2 = + 1.0000 Co++ + 2.0000 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+002 -8.4071e-002 7.6256e+003 1.0143e+002 1.1907e+002
# -Range: 0-300
CoF3
CoF3 = + 1.0000 Co+++ + 3.0000 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+002 -1.2911e-001 1.3215e+004 1.4859e+002 2.0632e+002
# -Range: 0-300
CoFe2O4
CoFe2O4 +8.0000 H+ = + 1.0000 Co++ + 2.0000 Fe+++ + 4.0000 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+002 -7.9159e-002 1.5683e+004 1.1046e+002 2.4480e+002
# -Range: 0-300
CoHPO4
CoHPO4 = + 1.0000 Co++ + 1.0000 HPO4--
log_k -6.7223
-delta_H 0 # Not possible to calculate enthalpy of reaction CoHPO4
# Enthalpy of formation: 0 kcal/mol
CoO
CoO +2.0000 H+ = + 1.0000 Co++ + 1.0000 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+001 -1.9457e-002 7.8616e+003 3.1281e+001 1.2270e+002
# -Range: 0-300
CoS
CoS +1.0000 H+ = + 1.0000 Co++ + 1.0000 HS-
log_k -7.3740
-delta_H 10.1755 kJ/mol # Calculated enthalpy of reaction CoS
# Enthalpy of formation: -20.182 kcal/mol
-analytic -1.5128e+002 -4.8484e-002 2.9553e+003 5.9983e+001 4.6158e+001
# -Range: 0-300
CoSO4
CoSO4 = + 1.0000 Co++ + 1.0000 SO4--
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+002 -7.7890e-002 7.7193e+003 8.0525e+001 1.2051e+002
# -Range: 0-300
CoSO4.3Co(OH)2
CoSO4(Co(OH)2)3 +6.0000 H+ = + 1.0000 SO4-- + 4.0000 Co++ + 6.0000 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 -2.2830e+002 -4.0197e-002 2.5937e+004 7.5367e+001 4.4053e+002
# -Range: 0-200
CoSO4:6H2O
CoSO4:6H2O = + 1.0000 Co++ + 1.0000 SO4-- + 6.0000 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+002 -7.3092e-002 6.6767e+003 1.0172e+002 1.0426e+002
# -Range: 0-300
CoSO4:H2O
CoSO4:H2O = + 1.0000 Co++ + 1.0000 H2O + 1.0000 SO4--
log_k -1.2111
-delta_H -52.6556 kJ/mol # Calculated enthalpy of reaction CoSO4:H2O
# Enthalpy of formation: -287.032 kcal/mol
-analytic -1.0570e+001 -1.6196e-002 1.7180e+003 3.4000e+000 2.9178e+001
# -Range: 0-200
CoSeO3
CoSeO3 = + 1.0000 Co++ + 1.0000 SeO3--
log_k -7.0800
-delta_H 0 # Not possible to calculate enthalpy of reaction CoSeO3
# Enthalpy of formation: 0 kcal/mol
CoWO4
CoWO4 = + 1.0000 Co++ + 1.0000 WO4--
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+001 -2.4719e-002 -1.0347e+003 1.4663e+001 -1.7558e+001
# -Range: 0-200
Coesite
SiO2 = + 1.0000 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+000 9.1773e-003 4.2143e+003 -7.8065e-001 -7.4905e+005
# -Range: 0-300
Coffinite
USiO4 +4.0000 H+ = + 1.0000 SiO2 + 1.0000 U++++ + 2.0000 H2O
log_k -8.0530
-delta_H -49.2493 kJ/mol # Calculated enthalpy of reaction Coffinite
# Enthalpy of formation: -1991.33 kJ/mol
-analytic 2.3126e+002 6.2389e-002 -4.6189e+003 -9.7976e+001 -7.8517e+001
# -Range: 0-200
Colemanite
Ca2B6O11:5H2O +4.0000 H+ +2.0000 H2O = + 2.0000 Ca++ + 6.0000 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 +16.0000 H+ = + 2.0000 Mg++ + 4.0000 Al+++ + 5.0000 SiO2 + 8.0000 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+000 -2.3801e-002 3.5192e+004 -1.9911e+001 -1.0894e+006
# -Range: 0-300
Cordierite_hydr
Mg2Al4Si5O18:H2O +16.0000 H+ = + 2.0000 Mg++ + 4.0000 Al+++ + 5.0000 SiO2 + 9.0000 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+002 -4.1335e-002 4.1566e+004 2.7892e+001 -1.4819e+006
# -Range: 0-300
Corkite
PbFe3(PO4)(SO4)(OH)6 +7.0000 H+ = + 1.0000 HPO4-- + 1.0000 Pb++ + 1.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O
log_k -9.7951
-delta_H 0 # Not possible to calculate enthalpy of reaction Corkite
# Enthalpy of formation: 0 kcal/mol
Corundum
Al2O3 +6.0000 H+ = + 2.0000 Al+++ + 3.0000 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+002 -7.8519e-002 1.3776e+004 5.5881e+001 2.1501e+002
# -Range: 0-300
Cotunnite
PbCl2 = + 1.0000 Pb++ + 2.0000 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+001 -1.9161e-002 -3.4686e+003 -2.8806e+000 -5.8909e+001
# -Range: 0-200
Covellite
CuS +1.0000 H+ = + 1.0000 Cu++ + 1.0000 HS-
log_k -22.8310
-delta_H 101.88 kJ/mol # Calculated enthalpy of reaction Covellite
# Enthalpy of formation: -12.5 kcal/mol
-analytic -1.6068e+002 -4.9040e-002 -1.4234e+003 6.3536e+001 -2.2164e+001
# -Range: 0-300
Cr
Cr +3.0000 H+ +0.7500 O2 = + 1.0000 Cr+++ + 1.5000 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+001 -5.5886e-003 3.4288e+004 3.1585e+000 5.3503e+002
# -Range: 0-300
CrCl3
CrCl3 = + 1.0000 Cr+++ + 3.0000 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+002 -9.5339e-002 1.4785e+004 1.0517e+002 2.3079e+002
# -Range: 0-300
CrF3
CrF3 = + 1.0000 Cr+++ + 3.0000 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+002 -1.0279e-001 1.1394e+004 1.2348e+002 1.7789e+002
# -Range: 0-300
CrF4
CrF4 +2.0000 H2O = + 0.5000 Cr++ + 0.5000 CrO4-- + 4.0000 F- + 4.0000 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+001 -4.3783e-002 -3.6809e+003 -1.2153e+001 -6.2521e+001
# -Range: 0-200
CrI3
CrI3 = + 1.0000 Cr+++ + 3.0000 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+000 -2.5164e-002 8.4026e+003 0.0000e+000 0.0000e+000
# -Range: 0-200
CrO2
CrO2 = + 0.5000 Cr++ + 0.5000 CrO4--
log_k -19.1332
-delta_H 85.9812 kJ/mol # Calculated enthalpy of reaction CrO2
# Enthalpy of formation: -143 kcal/mol
-analytic 2.7763e+000 -7.7698e-003 -5.2893e+003 -7.4970e-001 -8.9821e+001
# -Range: 0-200
CrO3
CrO3 +1.0000 H2O = + 1.0000 CrO4-- + 2.0000 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+002 -6.1411e-002 2.2083e+003 5.6564e+001 3.4497e+001
# -Range: 0-300
CrS
CrS +1.0000 H+ = + 1.0000 Cr++ + 1.0000 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+002 -3.5954e-002 3.8744e+003 4.3815e+001 6.0490e+001
# -Range: 0-300
Cristobalite(alpha)
SiO2 = + 1.0000 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+001 9.0520e-003 4.3701e+003 -1.1464e-001 -7.6568e+005
# -Range: 0-300
Cristobalite(beta)
SiO2 = + 1.0000 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+000 9.7567e-003 3.8831e+003 -2.5830e+000 -6.9636e+005
# -Range: 0-300
Crocoite
PbCrO4 = + 1.0000 CrO4-- + 1.0000 Pb++
log_k -12.7177
-delta_H 48.6181 kJ/mol # Calculated enthalpy of reaction Crocoite
# Enthalpy of formation: -222 kcal/mol
-analytic 3.0842e+001 -1.4430e-002 -5.0292e+003 -9.0525e+000 -8.5414e+001
# -Range: 0-200
Cronstedtite-7A
Fe2Fe2SiO5(OH)4 +10.0000 H+ = + 1.0000 SiO2 + 2.0000 Fe++ + 2.0000 Fe+++ + 7.0000 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+002 -7.1026e-002 1.7752e+004 8.7147e+001 2.7707e+002
# -Range: 0-300
Cs
Cs +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 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+001 -7.3845e-003 2.1019e+004 6.9347e+000 3.2799e+002
# -Range: 0-300
Cs2NaAmCl6
Cs2NaAmCl6 = + 1.0000 Am+++ + 1.0000 Na+ + 2.0000 Cs+ + 6.0000 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+001 -5.0340e-002 -2.3205e+003 -6.9536e+000 -3.9422e+001
# -Range: 0-200
Cs2U2O7
Cs2U2O7 +6.0000 H+ = + 2.0000 Cs+ + 2.0000 UO2++ + 3.0000 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+001 -7.4096e-003 1.2524e+004 1.7827e+001 -1.2899e+005
# -Range: 0-300
Cs2U4O12
Cs2U4O12 +8.0000 H+ = + 2.0000 Cs+ + 2.0000 UO2+ + 2.0000 UO2++ + 4.0000 H2O
log_k 18.9460
-delta_H -175.862 kJ/mol # Calculated enthalpy of reaction Cs2U4O12
# Enthalpy of formation: -5571.8 kJ/mol
-analytic -3.3411e+001 3.6196e-003 1.0508e+004 6.5823e+000 -2.3403e+004
# -Range: 0-300
Cs2UO4
Cs2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 Cs+ + 2.0000 H2O
log_k 35.8930
-delta_H -178.731 kJ/mol # Calculated enthalpy of reaction Cs2UO4
# Enthalpy of formation: -1928 kJ/mol
-analytic -3.0950e+001 -3.5650e-003 1.0690e+004 1.2949e+001 1.6682e+002
# -Range: 0-300
Cu
Cu +2.0000 H+ +0.5000 O2 = + 1.0000 Cu++ + 1.0000 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+001 -2.0300e-002 1.2802e+004 2.6401e+001 1.9979e+002
# -Range: 0-300
Cu3(PO4)2
Cu3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Cu++
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 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Cu++ + 3.0000 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 = + 1.0000 Cu++ + 2.0000 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+001 -2.4432e-002 1.5729e+003 9.5104e+000 2.6716e+001
# -Range: 0-200
CuCr2O4
CuCr2O4 +8.0000 H+ = + 1.0000 Cu++ + 2.0000 Cr+++ + 4.0000 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+002 -1.0254e-002 2.0123e+004 5.4062e+001 3.4178e+002
# -Range: 0-200
CuF
CuF = + 1.0000 Cu+ + 1.0000 F-
log_k 7.0800
-delta_H 0 # Not possible to calculate enthalpy of reaction CuF
# Enthalpy of formation: 0 kcal/mol
CuF2
CuF2 = + 1.0000 Cu++ + 2.0000 F-
log_k -0.6200
-delta_H 0 # Not possible to calculate enthalpy of reaction CuF2
# Enthalpy of formation: 0 kcal/mol
CuF2:2H2O
CuF2:2H2O = + 1.0000 Cu++ + 2.0000 F- + 2.0000 H2O
log_k -4.5500
-delta_H 0 # Not possible to calculate enthalpy of reaction CuF2:2H2O
# Enthalpy of formation: 0 kcal/mol
CuSeO3
CuSeO3 = + 1.0000 Cu++ + 1.0000 SeO3--
log_k -7.6767
-delta_H 0 # Not possible to calculate enthalpy of reaction CuSeO3
# Enthalpy of formation: 0 kcal/mol
Cuprite
Cu2O +2.0000 H+ = + 1.0000 H2O + 2.0000 Cu+
log_k -1.9031
-delta_H 28.355 kJ/mol # Calculated enthalpy of reaction Cuprite
# Enthalpy of formation: -40.83 kcal/mol
-analytic -8.6240e+001 -1.1445e-002 1.7851e+003 3.3041e+001 2.7880e+001
# -Range: 0-300
Daphnite-14A
Fe5AlAlSi3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Fe++ + 12.0000 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+002 -6.1392e-002 2.8283e+004 5.1788e+001 4.4137e+002
# -Range: 0-300
Daphnite-7A
Fe5AlAlSi3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Fe++ + 12.0000 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 -1.6430e+002 -6.3160e-002 2.9499e+004 5.6442e+001 4.6035e+002
# -Range: 0-300
Dawsonite
NaAlCO3(OH)2 +3.0000 H+ = + 1.0000 Al+++ + 1.0000 HCO3- + 1.0000 Na+ + 2.0000 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+002 -2.3487e-002 7.1758e+003 4.0900e+001 1.2189e+002
# -Range: 0-200
Delafossite
CuFeO2 +4.0000 H+ = + 1.0000 Cu+ + 1.0000 Fe+++ + 2.0000 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+002 -3.5478e-002 5.1404e+003 5.6437e+001 8.0255e+001
# -Range: 0-300
Diaspore
AlHO2 +3.0000 H+ = + 1.0000 Al+++ + 2.0000 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+002 -3.1671e-002 8.8737e+003 4.5669e+001 1.3850e+002
# -Range: 0-300
Dicalcium_silicate
Ca2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Ca++ + 2.0000 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+001 -1.3682e-002 1.5461e+004 2.1547e+001 -3.7732e+005
# -Range: 0-300
Diopside
CaMgSi2O6 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 H2O + 2.0000 SiO2
log_k 20.9643
-delta_H -133.775 kJ/mol # Calculated enthalpy of reaction Diopside
# Enthalpy of formation: -765.378 kcal/mol
-analytic 7.1240e+001 1.5514e-002 8.1437e+003 -3.0672e+001 -5.6880e+005
# -Range: 0-300
Dioptase
CuSiO2(OH)2 +2.0000 H+ = + 1.0000 Cu++ + 1.0000 SiO2 + 2.0000 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+002 6.2669e-002 -5.4030e+003 -9.4420e+001 -9.1834e+001
# -Range: 0-200
Dolomite
CaMg(CO3)2 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 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+002 -9.8179e-002 1.0845e+004 1.2657e+002 1.6932e+002
# -Range: 0-300
Dolomite-dis
CaMg(CO3)2 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 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+002 -9.7886e-002 1.1442e+004 1.2604e+002 1.7864e+002
# -Range: 0-300
Dolomite-ord
CaMg(CO3)2 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 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+002 -9.7902e-002 1.0805e+004 1.2607e+002 1.6870e+002
# -Range: 0-300
Downeyite
SeO2 +1.0000 H2O = + 1.0000 SeO3-- + 2.0000 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+002 -6.1183e-002 1.5802e+003 5.4490e+001 2.4696e+001
# -Range: 0-300
Dy
Dy +3.0000 H+ +0.7500 O2 = + 1.0000 Dy+++ + 1.5000 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+001 -2.8321e-002 5.8927e+004 2.4211e+001 9.1953e+002
# -Range: 0-300
Dy(OH)3
Dy(OH)3 +3.0000 H+ = + 1.0000 Dy+++ + 3.0000 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 +3.0000 H+ = + 1.0000 Dy+++ + 3.0000 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 +3.0000 H+ = + 2.0000 Dy+++ + 3.0000 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 +6.0000 H+ = + 2.0000 Dy+++ + 3.0000 H2O
log_k 47.0000
-delta_H 0 # Not possible to calculate enthalpy of reaction Dy2O3
# Enthalpy of formation: 0 kcal/mol
DyF3:.5H2O
DyF3:.5H2O = + 0.5000 H2O + 1.0000 Dy+++ + 3.0000 F-
log_k -16.5000
-delta_H 0 # Not possible to calculate enthalpy of reaction DyF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
DyPO4:10H2O
DyPO4:10H2O +1.0000 H+ = + 1.0000 Dy+++ + 1.0000 HPO4-- + 10.0000 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 +2.0000 H+ = + 1.0000 H2O + 1.0000 Mg++ + 1.0000 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+001 -3.2832e-003 9.5205e+003 1.4437e+001 -5.4324e+005
# -Range: 0-300
Epidote
Ca2FeAl2Si3O12OH +13.0000 H+ = + 1.0000 Fe+++ + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 7.0000 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+001 -3.6436e-002 1.9351e+004 3.3671e+000 -3.0319e+005
# -Range: 0-300
Epidote-ord
FeCa2Al2(OH)(SiO4)3 +13.0000 H+ = + 1.0000 Fe+++ + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 7.0000 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+001 -3.2870e-002 1.5692e+004 -1.1901e+001 2.4485e+002
# -Range: 0-300
Epsomite
MgSO4:7H2O = + 1.0000 Mg++ + 1.0000 SO4-- + 7.0000 H2O
log_k -1.9623
-delta_H 0 # Not possible to calculate enthalpy of reaction Epsomite
# Enthalpy of formation: 0 kcal/mol
Er
Er +3.0000 H+ +0.7500 O2 = + 1.0000 Er+++ + 1.5000 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+002 -3.8221e-002 6.4073e+004 5.1047e+001 -3.1503e+005
# -Range: 0-300
Er(OH)3
Er(OH)3 +3.0000 H+ = + 1.0000 Er+++ + 3.0000 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 +3.0000 H+ = + 1.0000 Er+++ + 3.0000 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 +3.0000 H+ = + 2.0000 Er+++ + 3.0000 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 +6.0000 H+ = + 2.0000 Er+++ + 3.0000 H2O
log_k 42.1000
-delta_H 0 # Not possible to calculate enthalpy of reaction Er2O3
# Enthalpy of formation: 0 kcal/mol
ErF3:.5H2O
ErF3:.5H2O = + 0.5000 H2O + 1.0000 Er+++ + 3.0000 F-
log_k -16.3000
-delta_H 0 # Not possible to calculate enthalpy of reaction ErF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
ErPO4:10H2O
ErPO4:10H2O +1.0000 H+ = + 1.0000 Er+++ + 1.0000 HPO4-- + 10.0000 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 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Co++ + 8.0000 H2O
log_k 6.3930
-delta_H 0 # Not possible to calculate enthalpy of reaction Erythrite
# Enthalpy of formation: 0 kcal/mol
Eskolaite
Cr2O3 +2.0000 H2O +1.5000 O2 = + 2.0000 CrO4-- + 4.0000 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+002 -1.2809e-001 2.2197e+003 9.1186e+001 3.4697e+001
# -Range: 0-300
Ettringite
Ca6Al2(SO4)3(OH)12:26H2O +12.0000 H+ = + 2.0000 Al+++ + 3.0000 SO4-- + 6.0000 Ca++ + 38.0000 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+003 -1.1585e-001 5.9580e+004 3.8585e+002 1.0121e+003
# -Range: 0-200
Eu
Eu +3.0000 H+ +0.7500 O2 = + 1.0000 Eu+++ + 1.5000 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+001 -2.8921e-002 5.4018e+004 2.3561e+001 8.4292e+002
# -Range: 0-300
Eu(IO3)3:2H2O
Eu(IO3)3:2H2O = + 1.0000 Eu+++ + 2.0000 H2O + 3.0000 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+001 -1.9914e-002 -1.1966e+003 1.3276e+001 -2.0308e+001
# -Range: 0-200
Eu(NO3)3:6H2O
Eu(NO3)3:6H2O = + 1.0000 Eu+++ + 3.0000 NO3- + 6.0000 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+002 -2.0427e-002 3.9623e+003 5.0976e+001 6.7332e+001
# -Range: 0-200
Eu(OH)2.5Cl.5
Eu(OH)2.5Cl.5 +2.5000 H+ = + 0.5000 Cl- + 1.0000 Eu+++ + 2.5000 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 +2.0000 H+ = + 1.0000 Cl- + 1.0000 Eu+++ + 2.0000 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 +3.0000 H+ = + 1.0000 Eu+++ + 3.0000 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+001 -6.1421e-003 8.7323e+003 2.0595e+001 1.4831e+002
# -Range: 0-200
Eu2(CO3)3:3H2O
Eu2(CO3)3:3H2O +3.0000 H+ = + 2.0000 Eu+++ + 3.0000 H2O + 3.0000 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+002 -4.0240e-002 9.5883e+003 4.6591e+001 1.6287e+002
# -Range: 0-200
Eu2(SO4)3:8H2O
Eu2(SO4)3:8H2O = + 2.0000 Eu+++ + 3.0000 SO4-- + 8.0000 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+001 -3.8846e-002 3.3821e+003 1.8561e+001 5.7452e+001
# -Range: 0-200
Eu2O3(cubic)
Eu2O3 +6.0000 H+ = + 2.0000 Eu+++ + 3.0000 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+001 -1.2554e-002 2.1925e+004 1.4324e+001 3.7233e+002
# -Range: 0-200
Eu2O3(monoclinic)
Eu2O3 +6.0000 H+ = + 2.0000 Eu+++ + 3.0000 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+001 -1.2627e-002 2.2508e+004 1.4416e+001 3.8224e+002
# -Range: 0-200
Eu3O4
Eu3O4 +8.0000 H+ = + 1.0000 Eu++ + 2.0000 Eu+++ + 4.0000 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+002 -2.0354e-002 3.4981e+004 3.8007e+001 5.9407e+002
# -Range: 0-200
EuBr3
EuBr3 = + 1.0000 Eu+++ + 3.0000 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+001 -2.5234e-002 6.6823e+003 -1.8276e+001 1.1345e+002
# -Range: 0-200
EuCl2
EuCl2 = + 1.0000 Eu++ + 2.0000 Cl-
log_k 5.9230
-delta_H -39.2617 kJ/mol # Calculated enthalpy of reaction EuCl2
# Enthalpy of formation: -822.5 kJ/mol
-analytic -2.5741e+001 -2.4956e-002 1.5713e+003 1.3670e+001 2.6691e+001
# -Range: 0-200
EuCl3
EuCl3 = + 1.0000 Eu+++ + 3.0000 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+001 -3.1877e-002 4.9792e+003 -8.2294e+000 8.4542e+001
# -Range: 0-200
EuCl3:6H2O
EuCl3:6H2O = + 1.0000 Eu+++ + 3.0000 Cl- + 6.0000 H2O
log_k 4.9090
-delta_H -40.0288 kJ/mol # Calculated enthalpy of reaction EuCl3:6H2O
# Enthalpy of formation: -2781.66 kJ/mol
-analytic -1.0987e+002 -2.9851e-002 4.9991e+003 4.3198e+001 8.4930e+001
# -Range: 0-200
EuF3:0.5H2O
EuF3:0.5H2O = + 0.5000 H2O + 1.0000 Eu+++ + 3.0000 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 +2.0000 H+ = + 1.0000 Eu++ + 1.0000 H2O
log_k 37.4800
-delta_H -221.196 kJ/mol # Calculated enthalpy of reaction EuO
# Enthalpy of formation: -592.245 kJ/mol
-analytic -8.9517e+001 -1.7523e-002 1.4385e+004 3.3933e+001 2.2449e+002
# -Range: 0-300
EuOCl
EuOCl +2.0000 H+ = + 1.0000 Cl- + 1.0000 Eu+++ + 1.0000 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+000 -1.4960e-002 6.6242e+003 2.2813e+000 1.1249e+002
# -Range: 0-200
EuOHCO3
EuOHCO3 +2.0000 H+ = + 1.0000 Eu+++ + 1.0000 H2O + 1.0000 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 +1.0000 H+ = + 1.0000 Eu+++ + 1.0000 HPO4-- + 10.0000 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 +1.0000 H+ = + 1.0000 Eu++ + 1.0000 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+001 -1.5582e-002 5.7842e+003 1.6639e+001 9.8238e+001
# -Range: 0-200
EuSO4
EuSO4 = + 1.0000 Eu++ + 1.0000 SO4--
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-001 -1.7571e-002 -3.0392e+003 2.5356e+000 -5.1610e+001
# -Range: 0-200
Eucryptite
LiAlSiO4 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Li+ + 1.0000 SiO2 + 2.0000 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+000 -8.2498e-003 6.4838e+003 -1.4183e+000 1.0117e+002
# -Range: 0-300
Fayalite
Fe2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Fe++ + 2.0000 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+001 -3.5501e-003 7.1496e+003 -6.8710e+000 -6.3310e+004
# -Range: 0-300
Fe
Fe +2.0000 H+ +0.5000 O2 = + 1.0000 Fe++ + 1.0000 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+001 -2.0379e-002 2.0690e+004 2.3673e+001 3.2287e+002
# -Range: 0-300
Fe(OH)2
Fe(OH)2 +2.0000 H+ = + 1.0000 Fe++ + 2.0000 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+001 -1.8440e-002 7.5723e+003 3.2597e+001 1.1818e+002
# -Range: 0-300
Fe(OH)3
Fe(OH)3 +3.0000 H+ = + 1.0000 Fe+++ + 3.0000 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+002 -3.1284e-002 7.9753e+003 4.9052e+001 1.2449e+002
# -Range: 0-300
Fe2(SO4)3
Fe2(SO4)3 = + 2.0000 Fe+++ + 3.0000 SO4--
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+002 -2.3718e-001 2.2736e+004 2.3601e+002 3.5495e+002
# -Range: 0-300
FeF2
FeF2 = + 1.0000 Fe++ + 2.0000 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+002 -8.4091e-002 8.4262e+003 1.0154e+002 1.3156e+002
# -Range: 0-300
FeF3
FeF3 = + 1.0000 Fe+++ + 3.0000 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+001 -3.7450e-002 -1.8926e+003 5.8485e+000 -3.2134e+001
# -Range: 0-200
FeO
FeO +2.0000 H+ = + 1.0000 Fe++ + 1.0000 H2O
log_k 13.5318
-delta_H -106.052 kJ/mol # Calculated enthalpy of reaction FeO
# Enthalpy of formation: -65.02 kcal/mol
-analytic -7.8750e+001 -1.8268e-002 7.6852e+003 2.9074e+001 1.1994e+002
# -Range: 0-300
FeSO4
FeSO4 = + 1.0000 Fe++ + 1.0000 SO4--
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+002 -7.6891e-002 7.8705e+003 8.3685e+001 1.2287e+002
# -Range: 0-300
FeV2O4
FeV2O4 +8.0000 H+ = + 1.0000 Fe++ + 2.0000 V+++ + 4.0000 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+002 -1.9398e-002 9.5736e+004 5.3582e+001 1.6258e+003
# -Range: 0-200
Ferrite-Ca
CaFe2O4 +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Fe+++ + 4.0000 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+002 -7.5870e-002 2.0688e+004 1.0485e+002 3.2289e+002
# -Range: 0-300
Ferrite-Cu
CuFe2O4 +8.0000 H+ = + 1.0000 Cu++ + 2.0000 Fe+++ + 4.0000 H2O
log_k 10.3160
-delta_H -211.647 kJ/mol # Calculated enthalpy of reaction Ferrite-Cu
# Enthalpy of formation: -965.178 kJ/mol
-analytic -3.1271e+002 -7.9976e-002 1.8818e+004 1.1466e+002 2.9374e+002
# -Range: 0-300
Ferrite-Dicalcium
Ca2Fe2O5 +10.0000 H+ = + 2.0000 Ca++ + 2.0000 Fe+++ + 5.0000 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+002 -9.5015e-002 3.3898e+004 1.3506e+002 5.2906e+002
# -Range: 0-300
Ferrite-Mg
MgFe2O4 +8.0000 H+ = + 1.0000 Mg++ + 2.0000 Fe+++ + 4.0000 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+002 -7.4820e-002 2.1333e+004 1.0295e+002 3.3296e+002
# -Range: 0-300
Ferrite-Zn
ZnFe2O4 +8.0000 H+ = + 1.0000 Zn++ + 2.0000 Fe+++ + 4.0000 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+002 -7.7263e-002 1.9067e+004 1.0866e+002 2.9761e+002
# -Range: 0-300
Ferroselite
FeSe2 +0.5000 H2O = + 0.2500 O2 + 1.0000 Fe+++ + 1.0000 H+ + 2.0000 Se--
log_k -80.7998
-delta_H 0 # Not possible to calculate enthalpy of reaction Ferroselite
# Enthalpy of formation: -25 kcal/mol
-analytic -7.2971e+001 -2.4992e-002 -1.6246e+004 2.1860e+001 -2.5348e+002
# -Range: 0-300
Ferrosilite
FeSiO3 +2.0000 H+ = + 1.0000 Fe++ + 1.0000 H2O + 1.0000 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+000 3.7917e-003 5.1625e+003 -6.3009e+000 -3.9565e+005
# -Range: 0-300
Fluorapatite
Ca5(PO4)3F +3.0000 H+ = + 1.0000 F- + 3.0000 HPO4-- + 5.0000 Ca++
log_k -24.9940
-delta_H -90.8915 kJ/mol # Calculated enthalpy of reaction Fluorapatite
# Enthalpy of formation: -6836.12 kJ/mol
-analytic -9.3648e+002 -3.2688e-001 2.4398e+004 3.7461e+002 3.8098e+002
# -Range: 0-300
Fluorite
CaF2 = + 1.0000 Ca++ + 2.0000 F-
log_k -10.0370
-delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction Fluorite
# Enthalpy of formation: -293 kcal/mol
-analytic -2.5036e+002 -8.4183e-002 4.9525e+003 1.0054e+002 7.7353e+001
# -Range: 0-300
Forsterite
Mg2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Mg++
log_k 27.8626
-delta_H -205.614 kJ/mol # Calculated enthalpy of reaction Forsterite
# Enthalpy of formation: -520 kcal/mol
-analytic -7.6195e+001 -1.4013e-002 1.4763e+004 2.5090e+001 -3.0379e+005
# -Range: 0-300
Foshagite
Ca4Si3O9(OH)2:0.5H2O +8.0000 H+ = + 3.0000 SiO2 + 4.0000 Ca++ + 5.5000 H2O
log_k 65.9210
-delta_H -359.839 kJ/mol # Calculated enthalpy of reaction Foshagite
# Enthalpy of formation: -1438.27 kcal/mol
-analytic 2.9983e+001 5.5272e-003 2.3427e+004 -1.3879e+001 -8.9461e+005
# -Range: 0-300
Frankdicksonite
BaF2 = + 1.0000 Ba++ + 2.0000 F-
log_k -5.7600
-delta_H 0 # Not possible to calculate enthalpy of reaction Frankdicksonite
# Enthalpy of formation: 0 kcal/mol
Freboldite
CoSe = + 1.0000 Co++ + 1.0000 Se--
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+001 -1.6924e-003 -3.6938e+003 9.3574e-001 -6.2723e+001
# -Range: 0-200
Ga
Ga +3.0000 H+ +0.7500 O2 = + 1.0000 Ga+++ + 1.5000 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+002 -3.9539e-002 3.6027e+004 4.6280e+001 -8.5461e+004
# -Range: 0-300
Galena
PbS +1.0000 H+ = + 1.0000 HS- + 1.0000 Pb++
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+002 -4.3477e-002 -1.6463e+003 5.0454e+001 -2.5654e+001
# -Range: 0-300
Gaylussite
CaNa2(CO3)2:5H2O +2.0000 H+ = + 1.0000 Ca++ + 2.0000 HCO3- + 2.0000 Na+ + 5.0000 H2O
log_k 11.1641
-delta_H 0 # Not possible to calculate enthalpy of reaction Gaylussite
# Enthalpy of formation: 0 kcal/mol
Gd
Gd +3.0000 H+ +0.7500 O2 = + 1.0000 Gd+++ + 1.5000 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+002 -6.5698e-002 7.4278e+004 1.2189e+002 -9.7055e+005
# -Range: 0-300
Gd(OH)3
Gd(OH)3 +3.0000 H+ = + 1.0000 Gd+++ + 3.0000 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 +3.0000 H+ = + 1.0000 Gd+++ + 3.0000 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 +3.0000 H+ = + 2.0000 Gd+++ + 3.0000 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 +6.0000 H+ = + 2.0000 Gd+++ + 3.0000 H2O
log_k 53.8000
-delta_H 0 # Not possible to calculate enthalpy of reaction Gd2O3
# Enthalpy of formation: 0 kcal/mol
GdF3:.5H2O
GdF3:.5H2O = + 0.5000 H2O + 1.0000 Gd+++ + 3.0000 F-
log_k -16.9000
-delta_H 0 # Not possible to calculate enthalpy of reaction GdF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
GdPO4:10H2O
GdPO4:10H2O +1.0000 H+ = + 1.0000 Gd+++ + 1.0000 HPO4-- + 10.0000 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 +10.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 2.0000 Ca++ + 5.0000 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+002 -6.7200e-002 2.9779e+004 7.8488e+001 4.6473e+002
# -Range: 0-300
Gibbsite
Al(OH)3 +3.0000 H+ = + 1.0000 Al+++ + 3.0000 H2O
log_k 7.7560
-delta_H -102.788 kJ/mol # Calculated enthalpy of reaction Gibbsite
# Enthalpy of formation: -309.065 kcal/mol
-analytic -1.1403e+002 -3.6453e-002 7.7236e+003 4.3134e+001 1.2055e+002
# -Range: 0-300
Gismondine
Ca2Al4Si4O16:9H2O +16.0000 H+ = + 2.0000 Ca++ + 4.0000 Al+++ + 4.0000 SiO2 + 17.0000 H2O
log_k 41.7170
-delta_H 0 # Not possible to calculate enthalpy of reaction Gismondine
# Enthalpy of formation: 0 kcal/mol
Glauberite
Na2Ca(SO4)2 = + 1.0000 Ca++ + 2.0000 Na+ + 2.0000 SO4--
log_k -5.4690
-delta_H 0 # Not possible to calculate enthalpy of reaction Glauberite
# Enthalpy of formation: 0 kcal/mol
Goethite
FeOOH +3.0000 H+ = + 1.0000 Fe+++ + 2.0000 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+001 -1.0847e-002 4.7759e+003 1.9429e+001 8.1122e+001
# -Range: 0-200
Greenalite
Fe3Si2O5(OH)4 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 Fe++ + 5.0000 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+001 -3.8377e-003 1.1710e+004 1.6442e+000 -4.8290e+005
# -Range: 0-300
Grossular
Ca3Al2(SiO4)3 +12.0000 H+ = + 2.0000 Al+++ + 3.0000 Ca++ + 3.0000 SiO2 + 6.0000 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+001 -2.2478e-002 2.0323e+004 -1.4624e+001 -2.5674e+005
# -Range: 0-300
Gypsum
CaSO4:2H2O = + 1.0000 Ca++ + 1.0000 SO4-- + 2.0000 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+002 -8.3329e-002 5.5958e+003 9.9301e+001 8.7389e+001
# -Range: 0-300
Gyrolite
Ca2Si3O7(OH)2:1.5H2O +4.0000 H+ = + 2.0000 Ca++ + 3.0000 SiO2 + 4.5000 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+001 1.4646e-002 1.6181e+004 2.3723e+000 -1.5369e+006
# -Range: 0-300
HTcO4
HTcO4 = + 1.0000 H+ + 1.0000 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+001 7.6416e-003 -5.3546e+001 -1.0568e+001 -9.1953e-001
# -Range: 0-200
Haiweeite
Ca(UO2)2(Si2O5)3:5H2O +6.0000 H+ = + 1.0000 Ca++ + 2.0000 UO2++ + 6.0000 SiO2 + 8.0000 H2O
log_k -7.0413
-delta_H 0 # Not possible to calculate enthalpy of reaction Haiweeite
# Enthalpy of formation: 0 kcal/mol
Halite
NaCl = + 1.0000 Cl- + 1.0000 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+002 -3.4761e-002 2.2796e+003 4.2802e+001 3.5602e+001
# -Range: 0-300
Hatrurite
Ca3SiO5 +6.0000 H+ = + 1.0000 SiO2 + 3.0000 Ca++ + 3.0000 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+001 -1.9998e-002 2.3800e+004 1.8494e+001 -7.3385e+004
# -Range: 0-300
Hausmannite
Mn3O4 +8.0000 H+ = + 1.0000 Mn++ + 2.0000 Mn+++ + 4.0000 H2O
log_k 10.1598
-delta_H -268.121 kJ/mol # Calculated enthalpy of reaction Hausmannite
# Enthalpy of formation: -1387.83 kJ/mol
-analytic -2.0600e+002 -2.2214e-002 2.0160e+004 6.2700e+001 3.1464e+002
# -Range: 0-300
Heazlewoodite
Ni3S2 +4.0000 H+ +0.5000 O2 = + 1.0000 H2O + 2.0000 HS- + 3.0000 Ni++
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+002 -1.1740e-001 2.1811e+004 1.3919e+002 3.4044e+002
# -Range: 0-300
Hedenbergite
CaFe(SiO3)2 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 Fe++ + 2.0000 H2O + 2.0000 SiO2
log_k 19.6060
-delta_H -124.507 kJ/mol # Calculated enthalpy of reaction Hedenbergite
# Enthalpy of formation: -678.276 kcal/mol
-analytic -1.9473e+001 1.5288e-003 1.2910e+004 2.1729e+000 -9.0058e+005
# -Range: 0-300
Hematite
Fe2O3 +6.0000 H+ = + 2.0000 Fe+++ + 3.0000 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+002 -6.0290e-002 1.1812e+004 8.0253e+001 1.8438e+002
# -Range: 0-300
Hercynite
FeAl2O4 +8.0000 H+ = + 1.0000 Fe++ + 2.0000 Al+++ + 4.0000 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+002 -7.9501e-002 2.5892e+004 1.1483e+002 4.0412e+002
# -Range: 0-300
Herzenbergite
SnS +1.0000 H+ = + 1.0000 HS- + 1.0000 Sn++
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+002 -4.6594e-002 -1.1572e+003 5.5740e+001 -1.8018e+001
# -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 +8.6600 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
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+001 2.7879e-002 2.8426e+004 -1.7427e+001 -3.4723e+006
# -Range: 0-300
Hexahydrite
MgSO4:6H2O = + 1.0000 Mg++ + 1.0000 SO4-- + 6.0000 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 +4.0000 H+ +1.0000 O2 = + 1.0000 Hf++++ + 2.0000 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 +2.7500 H+ +2.2500 H2O = + 0.7500 B(OH)3 + 1.0000 Hf++++ + 1.2500 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 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 Br-
log_k 114.9446
-delta_H 0 # Not possible to calculate enthalpy of reaction HfBr2
# Enthalpy of formation: -98 kJ/mol
HfBr4
HfBr4 = + 1.0000 Hf++++ + 4.0000 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 +3.0000 H+ +2.0000 O2 = + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Hf++++
log_k 215.0827
-delta_H 0 # Not possible to calculate enthalpy of reaction HfC
# Enthalpy of formation: -54 kJ/mol
HfCl2
HfCl2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 Cl-
log_k 109.1624
-delta_H 0 # Not possible to calculate enthalpy of reaction HfCl2
# Enthalpy of formation: -125 kJ/mol
HfCl4
HfCl4 = + 1.0000 Hf++++ + 4.0000 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 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 F-
log_k 81.7647
-delta_H 0 # Not possible to calculate enthalpy of reaction HfF2
# Enthalpy of formation: -235 kJ/mol
HfF4
HfF4 = + 1.0000 Hf++++ + 4.0000 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 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 I-
log_k 117.4971
-delta_H 0 # Not possible to calculate enthalpy of reaction HfI2
# Enthalpy of formation: -65 kJ/mol
HfI4
HfI4 = + 1.0000 Hf++++ + 4.0000 I-
log_k 54.1798
-delta_H 0 # Not possible to calculate enthalpy of reaction HfI4
# Enthalpy of formation: -118 kJ/mol
HfN
HfN +4.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Hf++++ + 1.0000 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 +4.0000 H+ = + 1.0000 Hf++++ + 2.0000 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 +2.0000 H+ = + 1.0000 Hf++++ + 2.0000 HS-
log_k -1.5845
-delta_H 0 # Not possible to calculate enthalpy of reaction HfS2
# Enthalpy of formation: -140 kJ/mol
HfS3
HfS3 +1.0000 H+ = + 1.0000 HS- + 1.0000 Hf++++ + 1.0000 S2--
log_k -18.9936
-delta_H 0 # Not possible to calculate enthalpy of reaction HfS3
# Enthalpy of formation: -149 kJ/mol
Hg2SO4
Hg2SO4 = + 1.0000 Hg2++ + 1.0000 SO4--
log_k -6.1170
-delta_H 0.30448 kJ/mol # Calculated enthalpy of reaction Hg2SO4
# Enthalpy of formation: -743.09 kJ/mol
-analytic -3.2342e+001 -1.9881e-002 1.6292e+003 1.0781e+001 2.7677e+001
# -Range: 0-200
Hg2SeO3
Hg2SeO3 = + 1.0000 Hg2++ + 1.0000 SeO3--
log_k -14.2132
-delta_H 0 # Not possible to calculate enthalpy of reaction Hg2SeO3
# Enthalpy of formation: 0 kcal/mol
HgSeO3
HgSeO3 = + 1.0000 Hg++ + 1.0000 SeO3--
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 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Ca++ + 3.1700 H2O
log_k 36.8190
-delta_H -203.074 kJ/mol # Calculated enthalpy of reaction Hillebrandite
# Enthalpy of formation: -637.404 kcal/mol
-analytic -1.9360e+001 -7.5176e-003 1.1947e+004 8.0558e+000 -1.4504e+005
# -Range: 0-300
Hinsdalite
Al3PPbSO8(OH)6 +7.0000 H+ = + 1.0000 HPO4-- + 1.0000 Pb++ + 1.0000 SO4-- + 3.0000 Al+++ + 6.0000 H2O
log_k 9.8218
-delta_H 0 # Not possible to calculate enthalpy of reaction Hinsdalite
# Enthalpy of formation: 0 kcal/mol
Ho
Ho +3.0000 H+ +0.7500 O2 = + 1.0000 Ho+++ + 1.5000 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+001 -2.8190e-002 5.9370e+004 2.3421e+001 9.2643e+002
# -Range: 0-300
Ho(OH)3
Ho(OH)3 +3.0000 H+ = + 1.0000 Ho+++ + 3.0000 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 +3.0000 H+ = + 1.0000 Ho+++ + 3.0000 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 +3.0000 H+ = + 2.0000 Ho+++ + 3.0000 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 +6.0000 H+ = + 2.0000 Ho+++ + 3.0000 H2O
log_k 47.3000
-delta_H 0 # Not possible to calculate enthalpy of reaction Ho2O3
# Enthalpy of formation: 0 kcal/mol
HoF3:.5H2O
HoF3:.5H2O = + 0.5000 H2O + 1.0000 Ho+++ + 3.0000 F-
log_k -16.4000
-delta_H 0 # Not possible to calculate enthalpy of reaction HoF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
HoPO4:10H2O
HoPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Ho+++ + 10.0000 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 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Zn++ + 4.0000 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 +4.0000 H+ = + 1.0000 Ca++ + 3.0000 Mg++ + 4.0000 HCO3-
log_k 10.3010
-delta_H -171.096 kJ/mol # Calculated enthalpy of reaction Huntite
# Enthalpy of formation: -1082.6 kcal/mol
-analytic -6.5000e+002 -1.9671e-001 2.4815e+004 2.5688e+002 3.8740e+002
# -Range: 0-300
Hydroboracite
MgCaB6O11:6H2O +4.0000 H+ +1.0000 H2O = + 1.0000 Ca++ + 1.0000 Mg++ + 6.0000 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 +4.0000 H+ = + 2.0000 H2O + 2.0000 HCO3- + 3.0000 Pb++
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 +6.0000 H+ = + 4.0000 HCO3- + 5.0000 Mg++ + 6.0000 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+002 -2.1448e-001 3.6749e+004 3.0888e+002 5.7367e+002
# -Range: 0-300
Hydrophilite
CaCl2 = + 1.0000 Ca++ + 2.0000 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+002 -8.1414e-002 9.0298e+003 9.2349e+001 1.4097e+002
# -Range: 0-300
Hydroxylapatite
Ca5(OH)(PO4)3 +4.0000 H+ = + 1.0000 H2O + 3.0000 HPO4-- + 5.0000 Ca++
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+002 -2.9430e-001 2.8125e+004 3.4044e+002 4.3911e+002
# -Range: 0-300
Hydrozincite
Zn5(OH)6(CO3)2 +8.0000 H+ = + 2.0000 HCO3- + 5.0000 Zn++ + 6.0000 H2O
log_k 30.3076
-delta_H 0 # Not possible to calculate enthalpy of reaction Hydrozincite
# Enthalpy of formation: 0 kcal/mol
I2
I2 +1.0000 H2O = + 0.5000 O2 + 2.0000 H+ + 2.0000 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+002 -6.2810e-002 -4.7225e+003 7.3181e+001 -7.3640e+001
# -Range: 0-300
Ice
H2O = + 1.0000 H2O
log_k 0.1387
-delta_H 6.74879 kJ/mol # Calculated enthalpy of reaction Ice
# Enthalpy of formation: -69.93 kcal/mol
-analytic -2.3260e+001 4.7948e-004 7.7351e+002 8.3499e+000 1.3143e+001
# -Range: 0-200
Illite
K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2 +8.0000 H+ = + 0.2500 Mg++ + 0.6000 K+ + 2.3000 Al+++ + 3.5000 SiO2 + 5.0000 H2O
log_k 9.0260
-delta_H -171.764 kJ/mol # Calculated enthalpy of reaction Illite
# Enthalpy of formation: -1394.71 kcal/mol
-analytic 2.6069e+001 -1.2553e-003 1.3670e+004 -2.0232e+001 -1.1204e+006
# -Range: 0-300
Ilmenite
FeTiO3 +2.0000 H+ +1.0000 H2O = + 1.0000 Fe++ + 1.0000 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 +3.0000 H+ +0.7500 O2 = + 1.0000 In+++ + 1.5000 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+002 -3.7657e-002 3.1802e+004 4.2438e+001 -9.6348e+004
# -Range: 0-300
Jadeite
NaAl(SiO3)2 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 2.0000 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+000 5.0757e-003 9.5602e+003 -7.0164e+000 -8.4454e+005
# -Range: 0-300
Jarosite
KFe3(SO4)2(OH)6 +6.0000 H+ = + 1.0000 K+ + 2.0000 SO4-- + 3.0000 Fe+++ + 6.0000 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+002 -5.0381e-002 9.6893e+003 3.2832e+001 1.6457e+002
# -Range: 0-200
Jarosite-Na
NaFe3(SO4)2(OH)6 +6.0000 H+ = + 1.0000 Na+ + 2.0000 SO4-- + 3.0000 Fe+++ + 6.0000 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 +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 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+001 -1.0003e-002 2.1338e+004 1.3534e+001 3.3296e+002
# -Range: 0-300
K-Feldspar
KAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 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+000 1.3111e-002 1.1671e+004 -9.9129e+000 -1.5855e+006
# -Range: 0-300
K2CO3:1.5H2O
K2CO3:1.5H2O +1.0000 H+ = + 1.0000 HCO3- + 1.5000 H2O + 2.0000 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 +2.0000 H+ = + 1.0000 H2O + 2.0000 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+001 -5.2255e-003 2.3184e+004 1.0553e+001 3.6177e+002
# -Range: 0-300
K2Se
K2Se = + 1.0000 Se-- + 2.0000 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+001 7.8828e-003 2.6345e+003 -7.3075e+000 4.4732e+001
# -Range: 0-200
K2UO4
K2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 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+001 -2.5680e-003 1.2244e+004 2.6056e+001 2.0794e+002
# -Range: 0-200
K3H(SO4)2
K3H(SO4)2 = + 1.0000 H+ + 2.0000 SO4-- + 3.0000 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 +2.0000 H+ = + 3.0000 H2O + 6.0000 HCO3- + 8.0000 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 = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 SO4--
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+002 -1.6303e-001 1.5311e+004 1.7312e+002 2.3904e+002
# -Range: 0-300
KBr
KBr = + 1.0000 Br- + 1.0000 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+001 -3.1240e-002 4.8140e+002 3.3104e+001 7.5336e+000
# -Range: 0-300
KMgCl3
KMgCl3 = + 1.0000 K+ + 1.0000 Mg++ + 3.0000 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+000 -3.2688e-002 5.1496e+003 8.9652e+000 8.7450e+001
# -Range: 0-200
KMgCl3:2H2O
KMgCl3:2H2O = + 1.0000 K+ + 1.0000 Mg++ + 2.0000 H2O + 3.0000 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+001 -3.3015e-002 4.6174e+003 2.7602e+001 7.8431e+001
# -Range: 0-200
KNaCO3:6H2O
KNaCO3:6H2O +1.0000 H+ = + 1.0000 HCO3- + 1.0000 K+ + 1.0000 Na+ + 6.0000 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 = + 1.0000 K+ + 1.0000 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+001 -8.4795e-004 -2.3985e+003 -4.1788e+000 -1.5029e+005
# -Range: 0-300
KUO2AsO4
KUO2AsO4 +2.0000 H+ = + 1.0000 H2AsO4- + 1.0000 K+ + 1.0000 UO2++
log_k -4.1741
-delta_H 0 # Not possible to calculate enthalpy of reaction KUO2AsO4
# Enthalpy of formation: 0 kcal/mol
Kainite
KMgClSO4:3H2O = + 1.0000 Cl- + 1.0000 K+ + 1.0000 Mg++ + 1.0000 SO4-- + 3.0000 H2O
log_k -0.3114
-delta_H 0 # Not possible to calculate enthalpy of reaction Kainite
# Enthalpy of formation: 0 kcal/mol
Kalicinite
KHCO3 = + 1.0000 HCO3- + 1.0000 K+
log_k 0.2837
-delta_H 0 # Not possible to calculate enthalpy of reaction Kalicinite
# Enthalpy of formation: 0 kcal/mol
Kalsilite
KAlSiO4 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 1.0000 SiO2 + 2.0000 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+000 -7.4301e-003 6.5380e+003 1.8999e-001 -2.2880e+005
# -Range: 0-300
Kaolinite
Al2Si2O5(OH)4 +6.0000 H+ = + 2.0000 Al+++ + 2.0000 SiO2 + 5.0000 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+001 -7.8939e-003 7.7636e+003 -1.2190e+001 -3.2354e+005
# -Range: 0-300
Karelianite
V2O3 +6.0000 H+ = + 2.0000 V+++ + 3.0000 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+001 -7.1499e-003 6.7749e+003 5.8146e+000 2.6039e+005
# -Range: 0-300
Kasolite
Pb(UO2)SiO4:H2O +4.0000 H+ = + 1.0000 Pb++ + 1.0000 SiO2 + 1.0000 UO2++ + 3.0000 H2O
log_k 7.2524
-delta_H 0 # Not possible to calculate enthalpy of reaction Kasolite
# Enthalpy of formation: 0 kcal/mol
Katoite
Ca3Al2H12O12 +12.0000 H+ = + 2.0000 Al+++ + 3.0000 Ca++ + 12.0000 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 = + 1.0000 H2O + 1.0000 Mg++ + 1.0000 SO4--
log_k -0.2670
-delta_H 0 # Not possible to calculate enthalpy of reaction Kieserite
# Enthalpy of formation: 0 kcal/mol
Klockmannite
CuSe = + 1.0000 Cu++ + 1.0000 Se--
log_k -41.6172
-delta_H 0 # Not possible to calculate enthalpy of reaction Klockmannite
# Enthalpy of formation: -10 kcal/mol
-analytic -2.3021e+001 -2.1458e-003 -8.5938e+003 4.3900e+000 -1.4593e+002
# -Range: 0-200
Krutaite
CuSe2 +1.0000 H2O = + 0.5000 O2 + 1.0000 Cu++ + 2.0000 H+ + 2.0000 Se--
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+001 -8.7548e-004 -2.6352e+004 7.5528e+000 -4.4749e+002
# -Range: 0-200
Kyanite
Al2SiO5 +6.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O
log_k 15.6740
-delta_H -230.919 kJ/mol # Calculated enthalpy of reaction Kyanite
# Enthalpy of formation: -616.897 kcal/mol
-analytic -7.3335e+001 -3.2853e-002 1.2166e+004 2.3412e+001 1.8986e+002
# -Range: 0-300
La
La +3.0000 H+ +0.7500 O2 = + 1.0000 La+++ + 1.5000 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+001 -2.7578e-002 5.9327e+004 2.1589e+001 9.2577e+002
# -Range: 0-300
La(OH)3
La(OH)3 +3.0000 H+ = + 1.0000 La+++ + 3.0000 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 +3.0000 H+ = + 1.0000 La+++ + 3.0000 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 +3.0000 H+ = + 2.0000 La+++ + 3.0000 HCO3- + 8.0000 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 +6.0000 H+ = + 2.0000 La+++ + 3.0000 H2O
log_k 66.2000
-delta_H 0 # Not possible to calculate enthalpy of reaction La2O3
# Enthalpy of formation: 0 kcal/mol
LaCl3
LaCl3 = + 1.0000 La+++ + 3.0000 Cl-
log_k 14.4000
-delta_H 0 # Not possible to calculate enthalpy of reaction LaCl3
# Enthalpy of formation: 0 kcal/mol
LaCl3:7H2O
LaCl3:7H2O = + 1.0000 La+++ + 3.0000 Cl- + 7.0000 H2O
log_k 4.7000
-delta_H 0 # Not possible to calculate enthalpy of reaction LaCl3:7H2O
# Enthalpy of formation: 0 kcal/mol
LaF3:.5H2O
LaF3:.5H2O = + 0.5000 H2O + 1.0000 La+++ + 3.0000 F-
log_k -18.7000
-delta_H 0 # Not possible to calculate enthalpy of reaction LaF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
LaPO4:10H2O
LaPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 La+++ + 10.0000 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 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Cu++
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 +2.0000 H+ = + 1.0000 H2O + 1.0000 SO4-- + 2.0000 Pb++
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+000 -1.6655e-002 0.0000e+000 0.0000e+000 -5.5660e+004
# -Range: 0-200
Lansfordite
MgCO3:5H2O +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Mg++ + 5.0000 H2O
log_k 4.8409
-delta_H 0 # Not possible to calculate enthalpy of reaction Lansfordite
# Enthalpy of formation: 0 kcal/mol
Larnite
Ca2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Ca++ + 2.0000 H2O
log_k 38.4665
-delta_H -227.061 kJ/mol # Calculated enthalpy of reaction Larnite
# Enthalpy of formation: -551.74 kcal/mol
-analytic 2.6900e+001 -2.1833e-003 1.0900e+004 -9.5257e+000 -7.2537e+004
# -Range: 0-300
Laumontite
CaAl2Si4O12:4H2O +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 SiO2 + 8.0000 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+000 8.1763e-003 1.9005e+004 -1.4561e+001 -1.5851e+006
# -Range: 0-300
Laurite
RuS2 = + 1.0000 Ru++ + 1.0000 S2--
log_k -73.2649
-delta_H 0 # Not possible to calculate enthalpy of reaction Laurite
# Enthalpy of formation: -199.586 kJ/mol
Lawrencite
FeCl2 = + 1.0000 Fe++ + 2.0000 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+002 -8.1819e-002 9.2620e+003 9.3097e+001 1.4459e+002
# -Range: 0-300
Lawsonite
CaAl2Si2O7(OH)2:H2O +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 2.0000 SiO2 + 6.0000 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+001 -1.7668e-002 1.0119e+004 -8.3100e+000 1.5789e+002
# -Range: 0-300
Leonite
K2Mg(SO4)2:4H2O = + 1.0000 Mg++ + 2.0000 K+ + 2.0000 SO4-- + 4.0000 H2O
log_k -4.1123
-delta_H 0 # Not possible to calculate enthalpy of reaction Leonite
# Enthalpy of formation: 0 kcal/mol
Li
Li +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 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+002 -1.8118e-002 2.6262e+004 3.8056e+001 -1.6166e+005
# -Range: 0-300
Li2Se
Li2Se +1.5000 O2 = + 1.0000 SeO3-- + 2.0000 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+002 -6.9663e-003 2.7509e+004 -4.3124e+001 4.6710e+002
# -Range: 0-200
Li2UO4
Li2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Li+
log_k 27.8421
-delta_H -179.384 kJ/mol # Calculated enthalpy of reaction Li2UO4
# Enthalpy of formation: -1968.2 kJ/mol
-analytic -1.4470e+002 -1.2024e-002 1.4899e+004 5.0984e+001 2.5306e+002
# -Range: 0-200
LiUO2AsO4
LiUO2AsO4 +2.0000 H+ = + 1.0000 H2AsO4- + 1.0000 Li+ + 1.0000 UO2++
log_k -0.7862
-delta_H 0 # Not possible to calculate enthalpy of reaction LiUO2AsO4
# Enthalpy of formation: 0 kcal/mol
Lime
CaO +2.0000 H+ = + 1.0000 Ca++ + 1.0000 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+001 -1.7654e-002 1.2199e+004 2.8128e+001 1.9037e+002
# -Range: 0-300
Linnaeite
Co3S4 +4.0000 H+ = + 1.0000 Co++ + 2.0000 Co+++ + 4.0000 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+002 -2.0179e-001 -9.2145e+003 2.3618e+002 -1.4361e+002
# -Range: 0-300
Litharge
PbO +2.0000 H+ = + 1.0000 H2O + 1.0000 Pb++
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+001 -2.0211e-003 4.1876e+003 7.2239e+000 7.1118e+001
# -Range: 0-200
Lopezite
K2Cr2O7 +1.0000 H2O = + 2.0000 CrO4-- + 2.0000 H+ + 2.0000 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+001 -2.2908e-002 -9.3812e+003 -2.3245e+001 -1.5933e+002
# -Range: 0-200
Lu
Lu +3.0000 H+ +0.7500 O2 = + 1.0000 Lu+++ + 1.5000 H2O
log_k 181.3437
-delta_H -1122.15 kJ/mol # Calculated enthalpy of reaction Lu
# Enthalpy of formation: 0 kJ/mol
-analytic -6.8950e+001 -2.8643e-002 5.9209e+004 2.4332e+001 9.2392e+002
# -Range: 0-300
Lu(OH)3
Lu(OH)3 +3.0000 H+ = + 1.0000 Lu+++ + 3.0000 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 +3.0000 H+ = + 1.0000 Lu+++ + 3.0000 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 +3.0000 H+ = + 2.0000 Lu+++ + 3.0000 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 +6.0000 H+ = + 2.0000 Lu+++ + 3.0000 H2O
log_k 45.0000
-delta_H 0 # Not possible to calculate enthalpy of reaction Lu2O3
# Enthalpy of formation: 0 kcal/mol
LuF3:.5H2O
LuF3:.5H2O = + 0.5000 H2O + 1.0000 Lu+++ + 3.0000 F-
log_k -15.9000
-delta_H 0 # Not possible to calculate enthalpy of reaction LuF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
LuPO4:10H2O
LuPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Lu+++ + 10.0000 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 +8.0000 H+ = + 1.0000 Mg++ + 2.0000 Cr+++ + 4.0000 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+002 -8.7429e-003 2.1600e+004 5.0762e+001 3.6685e+002
# -Range: 0-200
Magnesite
MgCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Mg++
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+002 -4.9469e-002 6.4344e+003 6.5506e+001 1.0045e+002
# -Range: 0-300
Magnetite
Fe3O4 +8.0000 H+ = + 1.0000 Fe++ + 2.0000 Fe+++ + 4.0000 H2O
log_k 10.4724
-delta_H -216.597 kJ/mol # Calculated enthalpy of reaction Magnetite
# Enthalpy of formation: -267.25 kcal/mol
-analytic -3.0510e+002 -7.9919e-002 1.8709e+004 1.1178e+002 2.9203e+002
# -Range: 0-300
Malachite
Cu2CO3(OH)2 +3.0000 H+ = + 1.0000 HCO3- + 2.0000 Cu++ + 2.0000 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+002 -6.9454e-002 1.1451e+004 1.0511e+002 1.7877e+002
# -Range: 0-300
Manganite
MnO(OH) +3.0000 H+ = + 1.0000 Mn+++ + 2.0000 H2O
log_k -0.1646
-delta_H 0 # Not possible to calculate enthalpy of reaction Manganite
# Enthalpy of formation: 0 kcal/mol
Manganosite
MnO +2.0000 H+ = + 1.0000 H2O + 1.0000 Mn++
log_k 17.9240
-delta_H -121.215 kJ/mol # Calculated enthalpy of reaction Manganosite
# Enthalpy of formation: -92.07 kcal/mol
-analytic -8.4114e+001 -1.8490e-002 8.7792e+003 3.1561e+001 1.3702e+002
# -Range: 0-300
Margarite
CaAl4Si2O10(OH)2 +14.0000 H+ = + 1.0000 Ca++ + 2.0000 SiO2 + 4.0000 Al+++ + 8.0000 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+002 -8.2788e-002 3.0154e+004 7.9148e+001 4.7060e+002
# -Range: 0-300
Massicot
PbO +2.0000 H+ = + 1.0000 H2O + 1.0000 Pb++
log_k 12.8210
-delta_H -67.6078 kJ/mol # Calculated enthalpy of reaction Massicot
# Enthalpy of formation: -217.31 kJ/mol
-analytic -1.8738e+001 -2.0125e-003 4.2739e+003 7.2018e+000 7.2584e+001
# -Range: 0-200
Matlockite
PbFCl = + 1.0000 Cl- + 1.0000 F- + 1.0000 Pb++
log_k -9.4300
-delta_H 0 # Not possible to calculate enthalpy of reaction Matlockite
# Enthalpy of formation: 0 kcal/mol
Maximum_Microcline
KAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 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+000 1.3561e-002 1.2656e+004 -7.4925e+000 -1.6795e+006
# -Range: 0-300
Mayenite
Ca12Al14O33 +66.0000 H+ = + 12.0000 Ca++ + 14.0000 Al+++ + 33.0000 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+003 -2.9898e-001 2.4918e+005 4.9518e+002 4.2319e+003
# -Range: 0-200
Melanterite
FeSO4:7H2O = + 1.0000 Fe++ + 1.0000 SO4-- + 7.0000 H2O
log_k -2.3490
-delta_H 11.7509 kJ/mol # Calculated enthalpy of reaction Melanterite
# Enthalpy of formation: -3014.48 kJ/mol
-analytic -2.6230e+002 -7.2469e-002 6.5854e+003 1.0484e+002 1.0284e+002
# -Range: 0-300
Mercallite
KHSO4 = + 1.0000 H+ + 1.0000 K+ + 1.0000 SO4--
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 +8.0000 H+ = + 1.0000 Mg++ + 2.0000 SiO2 + 3.0000 Ca++ + 4.0000 H2O
log_k 68.5140
-delta_H -430.069 kJ/mol # Calculated enthalpy of reaction Merwinite
# Enthalpy of formation: -1090.8 kcal/mol
-analytic -2.2524e+002 -4.2525e-002 3.5619e+004 7.9984e+001 -9.8259e+005
# -Range: 0-300
Mesolite
Na.676Ca.657Al1.99Si3.01O10:2.647H2O +7.9600 H+ = + 0.6570 Ca++ + 0.6760 Na+ + 1.9900 Al+++ + 3.0100 SiO2 + 6.6270 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+000 5.9356e-003 1.4717e+004 -1.3627e+001 -9.8863e+005
# -Range: 0-300
Metacinnabar
HgS +1.0000 H+ = + 1.0000 HS- + 1.0000 Hg++
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+002 -4.6740e-002 -6.7875e+003 6.1456e+001 -1.0587e+002
# -Range: 0-300
Mg
Mg +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Mg++
log_k 122.5365
-delta_H -745.731 kJ/mol # Calculated enthalpy of reaction Mg
# Enthalpy of formation: 0 kJ/mol
-analytic -6.5988e+001 -1.9356e-002 4.0318e+004 2.3862e+001 6.2914e+002
# -Range: 0-300
Mg1.25SO4(OH)0.5:0.5H2O
Mg1.25SO4(OH)0.5:0.5H2O +0.5000 H+ = + 1.0000 H2O + 1.0000 SO4-- + 1.2500 Mg++
log_k 5.2600
-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+002 -8.7078e-002 1.1090e+004 1.0583e+002 1.7312e+002
# -Range: 0-300
Mg1.5SO4(OH)
Mg1.5SO4(OH) +1.0000 H+ = + 1.0000 H2O + 1.0000 SO4-- + 1.5000 Mg++
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+002 -9.1970e-002 1.3088e+004 1.1304e+002 2.0432e+002
# -Range: 0-300
Mg2V2O7
Mg2V2O7 +1.0000 H2O = + 2.0000 H+ + 2.0000 Mg++ + 2.0000 VO4---
log_k -30.9025
-delta_H 0 # Not possible to calculate enthalpy of reaction Mg2V2O7
# Enthalpy of formation: -2836.23 kJ/mol
MgBr2
MgBr2 = + 1.0000 Mg++ + 2.0000 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+002 -7.6168e-002 1.4466e+004 8.6940e+001 2.2579e+002
# -Range: 0-300
MgBr2:6H2O
MgBr2:6H2O = + 1.0000 Mg++ + 2.0000 Br- + 6.0000 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+002 -1.6479e-002 5.8571e+003 5.0924e+001 9.9508e+001
# -Range: 0-200
MgCl2:2H2O
MgCl2:2H2O = + 1.0000 Mg++ + 2.0000 Cl- + 2.0000 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+002 -8.1413e-002 1.0941e+004 1.0281e+002 1.7080e+002
# -Range: 0-300
MgCl2:4H2O
MgCl2:4H2O = + 1.0000 Mg++ + 2.0000 Cl- + 4.0000 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+002 -8.1648e-002 9.5501e+003 1.1140e+002 1.4910e+002
# -Range: 0-300
MgCl2:H2O
MgCl2:H2O = + 1.0000 H2O + 1.0000 Mg++ + 2.0000 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+002 -8.1310e-002 1.1862e+004 9.8878e+001 1.8516e+002
# -Range: 0-300
MgOHCl
MgOHCl +1.0000 H+ = + 1.0000 Cl- + 1.0000 H2O + 1.0000 Mg++
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+002 -4.9715e-002 1.0311e+004 6.5578e+001 1.6093e+002
# -Range: 0-300
MgSO4
MgSO4 = + 1.0000 Mg++ + 1.0000 SO4--
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+002 -7.9688e-002 9.3058e+003 8.9622e+001 1.4527e+002
# -Range: 0-300
MgSeO3
MgSeO3 = + 1.0000 Mg++ + 1.0000 SeO3--
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+002 -8.1045e-002 8.4609e+003 9.0278e+001 1.3209e+002
# -Range: 0-300
MgSeO3:6H2O
MgSeO3:6H2O = + 1.0000 Mg++ + 1.0000 SeO3-- + 6.0000 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+002 -1.5418e-002 4.0565e+003 4.6728e+001 6.8929e+001
# -Range: 0-200
MgUO4
MgUO4 +4.0000 H+ = + 1.0000 Mg++ + 1.0000 UO2++ + 2.0000 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+001 -2.0142e-002 1.3078e+004 3.4386e+001 2.0410e+002
# -Range: 0-300
MgV2O6
MgV2O6 +2.0000 H2O = + 1.0000 Mg++ + 2.0000 VO4--- + 4.0000 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 +1.0000 H+ = + 1.0000 HS- + 1.0000 Ni++
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+002 -4.8834e-002 2.6981e+003 5.8976e+001 4.2145e+001
# -Range: 0-300
Minium
Pb3O4 +8.0000 H+ = + 1.0000 Pb++++ + 2.0000 Pb++ + 4.0000 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 +6.0000 H+ = + 3.0000 Fe++ + 4.0000 H2O + 4.0000 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+001 1.7261e-002 1.9804e+004 -6.4410e+000 -2.0433e+006
# -Range: 0-300
Mirabilite
Na2SO4:10H2O = + 1.0000 SO4-- + 2.0000 Na+ + 10.0000 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+002 -3.6692e-003 5.9214e+003 8.0361e+001 1.0063e+002
# -Range: 0-200
Misenite
K8H6(SO4)7 = + 6.0000 H+ + 7.0000 SO4-- + 8.0000 K+
log_k -11.0757
-delta_H 0 # Not possible to calculate enthalpy of reaction Misenite
# Enthalpy of formation: 0 kcal/mol
Mn
Mn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Mn++
log_k 82.9505
-delta_H -500.369 kJ/mol # Calculated enthalpy of reaction Mn
# Enthalpy of formation: 0 kJ/mol
-analytic -6.5558e+001 -2.0429e-002 2.7571e+004 2.5098e+001 4.3024e+002
# -Range: 0-300
Mn(OH)2(am)
Mn(OH)2 +2.0000 H+ = + 1.0000 Mn++ + 2.0000 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+001 -7.5357e-003 8.0198e+003 2.7955e+001 1.3621e+002
# -Range: 0-200
Mn(OH)3
Mn(OH)3 +3.0000 H+ = + 1.0000 Mn+++ + 3.0000 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 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Mn++
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 = + 1.0000 Mn++ + 2.0000 Cl- + 2.0000 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+001 -2.3959e-002 2.9931e+003 2.5834e+001 5.0850e+001
# -Range: 0-200
MnCl2:4H2O
MnCl2:4H2O = + 1.0000 Mn++ + 2.0000 Cl- + 4.0000 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+002 -2.3376e-002 4.0458e+003 4.3097e+001 6.8742e+001
# -Range: 0-200
MnCl2:H2O
MnCl2:H2O = + 1.0000 H2O + 1.0000 Mn++ + 2.0000 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+001 -2.5923e-002 2.8739e+003 1.9674e+001 4.8818e+001
# -Range: 0-200
MnHPO4
MnHPO4 = + 1.0000 HPO4-- + 1.0000 Mn++
log_k -12.9470
-delta_H 0 # Not possible to calculate enthalpy of reaction MnHPO4
# Enthalpy of formation: 0 kcal/mol
MnO2(gamma)
MnO2 = + 0.5000 Mn++ + 0.5000 MnO4--
log_k -16.1261
-delta_H 0 # Not possible to calculate enthalpy of reaction MnO2(gamma)
# Enthalpy of formation: 0 kcal/mol
MnSO4
MnSO4 = + 1.0000 Mn++ + 1.0000 SO4--
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+002 -8.2694e-002 8.1653e+003 9.3256e+001 1.2748e+002
# -Range: 0-300
MnSe
MnSe = + 1.0000 Mn++ + 1.0000 Se--
log_k -10.6848
-delta_H 0 # Not possible to calculate enthalpy of reaction MnSe
# Enthalpy of formation: -37 kcal/mol
-analytic -5.9960e+001 -1.5963e-002 1.2813e+003 2.0095e+001 2.0010e+001
# -Range: 0-300
MnSeO3
MnSeO3 = + 1.0000 Mn++ + 1.0000 SeO3--
log_k -7.2700
-delta_H 0 # Not possible to calculate enthalpy of reaction MnSeO3
# Enthalpy of formation: 0 kcal/mol
MnSeO3:2H2O
MnSeO3:2H2O = + 1.0000 Mn++ + 1.0000 SeO3-- + 2.0000 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+001 -2.0426e-002 -2.5368e+002 1.7876e+001 -4.2927e+000
# -Range: 0-200
MnV2O6
MnV2O6 +2.0000 H2O = + 1.0000 Mn++ + 2.0000 VO4--- + 4.0000 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 +1.5000 O2 +1.0000 H2O = + 1.0000 MoO4-- + 2.0000 H+
log_k 109.3230
-delta_H -693.845 kJ/mol # Calculated enthalpy of reaction Mo
# Enthalpy of formation: 0 kJ/mol
-analytic -2.0021e+002 -8.3006e-002 4.1629e+004 8.0219e+001 -3.4570e+005
# -Range: 0-300
MoSe2
MoSe2 +3.0000 H2O +0.5000 O2 = + 1.0000 MoO4-- + 2.0000 Se-- + 6.0000 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+002 -1.8590e-003 -1.7231e+004 -5.4797e+001 -2.9265e+002
# -Range: 0-200
Modderite
CoAs +3.0000 H+ = + 1.0000 AsH3 + 1.0000 Co+++
log_k -49.5512
-delta_H 189.016 kJ/mol # Calculated enthalpy of reaction Modderite
# Enthalpy of formation: -12.208 kcal/mol
Molysite
FeCl3 = + 1.0000 Fe+++ + 3.0000 Cl-
log_k 13.5517
-delta_H -151.579 kJ/mol # Calculated enthalpy of reaction Molysite
# Enthalpy of formation: -399.24 kJ/mol
-analytic -3.1810e+002 -1.2357e-001 1.3860e+004 1.3010e+002 2.1637e+002
# -Range: 0-300
Monohydrocalcite
CaCO3:H2O +1.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O + 1.0000 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+001 -1.7217e-002 3.1850e+003 2.8185e+001 5.4111e+001
# -Range: 0-200
Monteponite
CdO +2.0000 H+ = + 1.0000 Cd++ + 1.0000 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+001 -6.3629e-003 7.0898e+003 1.7486e+001 1.2041e+002
# -Range: 0-200
Monticellite
CaMgSiO4 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 1.0000 SiO2 + 2.0000 H2O
log_k 29.5852
-delta_H -195.711 kJ/mol # Calculated enthalpy of reaction Monticellite
# Enthalpy of formation: -540.8 kcal/mol
-analytic 1.5730e+001 -3.5567e-003 9.0789e+003 -6.3007e+000 1.4166e+002
# -Range: 0-300
Montmor-Ca
Ca.165Mg.33Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.1650 Ca++ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 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+000 1.0644e-002 1.6024e+004 -1.6334e+001 -1.7982e+006
# -Range: 0-300
Montmor-Cs
Cs.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.3300 Cs+ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 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+000 1.2496e-002 1.5650e+004 -1.7601e+001 -1.8434e+006
# -Range: 0-300
Montmor-K
K.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.3300 K+ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 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+000 1.1219e-002 1.5654e+004 -1.6833e+001 -1.8386e+006
# -Range: 0-300
Montmor-Mg
Mg.495Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.4950 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 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+000 9.0710e-003 1.6817e+004 -1.1887e+001 -1.8323e+006
# -Range: 0-300
Montmor-Na
Na.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.3300 Mg++ + 0.3300 Na+ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 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+000 1.1342e-002 1.6051e+004 -1.4718e+001 -1.8160e+006
# -Range: 0-300
Montroydite
HgO +2.0000 H+ = + 1.0000 H2O + 1.0000 Hg++
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+001 -1.7618e-002 4.0086e+003 3.2957e+001 6.2576e+001
# -Range: 0-300
Mordenite
Ca.2895Na.361Al.94Si5.06O12:3.468H2O +3.7600 H+ = + 0.2895 Ca++ + 0.3610 Na+ + 0.9400 Al+++ + 5.0600 SiO2 + 5.3480 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+001 3.2513e-002 2.3412e+004 -1.0419e+000 -3.2292e+006
# -Range: 0-300
Mordenite-dehy
Ca.2895Na.361Al.94Si5.06O12 +3.7600 H+ = + 0.2895 Ca++ + 0.3610 Na+ + 0.9400 Al+++ + 1.8800 H2O + 5.0600 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+001 2.5405e-002 2.7621e+004 -1.6331e+000 -3.1618e+006
# -Range: 0-300
Morenosite
NiSO4:7H2O = + 1.0000 Ni++ + 1.0000 SO4-- + 7.0000 H2O
log_k -2.0140
-delta_H 12.0185 kJ/mol # Calculated enthalpy of reaction Morenosite
# Enthalpy of formation: -2976.46 kJ/mol
-analytic -2.6654e+002 -7.2132e-002 6.7983e+003 1.0636e+002 1.0616e+002
# -Range: 0-300
Muscovite
KAl3Si3O10(OH)2 +10.0000 H+ = + 1.0000 K+ + 3.0000 Al+++ + 3.0000 SiO2 + 6.0000 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+001 -1.2425e-002 1.2477e+004 -2.0865e+001 -5.4692e+005
# -Range: 0-300
NH4HSe
NH4HSe = + 1.0000 NH3 + 1.0000 Se-- + 2.0000 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+000 6.7342e-003 -5.3028e+003 1.0468e+000 -9.0046e+001
# -Range: 0-200
Na
Na +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 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+001 -8.7899e-003 2.1223e+004 1.5927e+001 -1.2715e+004
# -Range: 0-300
Na2CO3
Na2CO3 +1.0000 H+ = + 1.0000 HCO3- + 2.0000 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+002 -4.3374e-002 6.4821e+003 6.3571e+001 1.0119e+002
# -Range: 0-300
Na2CO3:7H2O
Na2CO3:7H2O +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Na+ + 7.0000 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+002 -3.4509e-003 8.1601e+003 7.6594e+001 1.3864e+002
# -Range: 0-200
Na2Cr2O7
Na2Cr2O7 +1.0000 H2O = + 2.0000 CrO4-- + 2.0000 H+ + 2.0000 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+001 -2.4919e-002 -5.0321e+003 -1.2430e+001 -8.5468e+001
# -Range: 0-200
Na2CrO4
Na2CrO4 = + 1.0000 CrO4-- + 2.0000 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+000 -9.9008e-003 1.0510e+002 0.0000e+000 0.0000e+000
# -Range: 0-200
Na2O
Na2O +2.0000 H+ = + 1.0000 H2O + 2.0000 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+001 -8.4695e-003 2.0923e+004 2.5601e+001 3.2651e+002
# -Range: 0-300
Na2Se
Na2Se = + 1.0000 Se-- + 2.0000 Na+
log_k 11.8352
-delta_H 0 # Not possible to calculate enthalpy of reaction Na2Se
# Enthalpy of formation: -81.9 kcal/mol
-analytic -6.0070e+000 8.2821e-003 4.5816e+003 0.0000e+000 0.0000e+000
# -Range: 0-200
Na2Se2
Na2Se2 +1.0000 H2O = + 0.5000 O2 + 2.0000 H+ + 2.0000 Na+ + 2.0000 Se--
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+001 7.7035e-003 -1.5040e+004 5.9131e+000 -2.5539e+002
# -Range: 0-200
Na2SiO3
Na2SiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 SiO2 + 2.0000 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+001 5.6905e-003 1.0284e+004 1.1197e+001 -6.0134e+005
# -Range: 0-300
Na2U2O7
Na2U2O7 +6.0000 H+ = + 2.0000 Na+ + 2.0000 UO2++ + 3.0000 H2O
log_k 22.5917
-delta_H -172.314 kJ/mol # Calculated enthalpy of reaction Na2U2O7
# Enthalpy of formation: -3203.8 kJ/mol
-analytic -8.6640e+001 -1.0903e-002 1.1841e+004 2.9406e+001 1.8479e+002
# -Range: 0-300
Na2UO4(alpha)
Na2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 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+001 -1.0253e-002 1.1963e+004 2.9386e+001 1.8669e+002
# -Range: 0-300
Na3H(SO4)2
Na3H(SO4)2 = + 1.0000 H+ + 2.0000 SO4-- + 3.0000 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 +4.0000 H+ = + 1.0000 UO2+ + 2.0000 H2O + 3.0000 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+001 -6.2485e-003 1.9469e+004 3.6180e+001 3.0382e+002
# -Range: 0-300
Na4Ca(SO4)3:2H2O
Na4Ca(SO4)3:2H2O = + 1.0000 Ca++ + 2.0000 H2O + 3.0000 SO4-- + 4.0000 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 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 4.0000 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+002 -6.5032e-003 2.6469e+004 4.4626e+001 -6.2007e+005
# -Range: 0-300
Na4UO2(CO3)3
Na4UO2(CO3)3 +3.0000 H+ = + 1.0000 UO2++ + 3.0000 HCO3- + 4.0000 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 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 H2O + 6.0000 Na+
log_k 101.6199
-delta_H -471.951 kJ/mol # Calculated enthalpy of reaction Na6Si2O7
# Enthalpy of formation: -856.3 kcal/mol
-analytic -1.0590e+002 4.5576e-003 3.6830e+004 3.8030e+001 -1.0276e+006
# -Range: 0-300
NaBr
NaBr = + 1.0000 Br- + 1.0000 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+001 -3.2780e-002 2.2910e+003 3.9713e+001 3.5777e+001
# -Range: 0-300
NaBr:2H2O
NaBr:2H2O = + 1.0000 Br- + 1.0000 Na+ + 2.0000 H2O
log_k 2.1040
-delta_H 18.4883 kJ/mol # Calculated enthalpy of reaction NaBr:2H2O
# Enthalpy of formation: -951.968 kJ/mol
-analytic -4.1855e+001 -4.6170e-003 8.3883e+002 1.7182e+001 1.4259e+001
# -Range: 0-200
NaFeO2
NaFeO2 +4.0000 H+ = + 1.0000 Fe+++ + 1.0000 Na+ + 2.0000 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+001 -9.6226e-003 1.0647e+004 2.3071e+001 1.8082e+002
# -Range: 0-200
NaNpO2CO3:3.5H2O
NaNpO2CO3:3.5H2O +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Na+ + 1.0000 NpO2+ + 3.5000 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+002 -2.7355e-002 3.6537e+003 5.7701e+001 5.7055e+001
# -Range: 0-300
NaTcO4
NaTcO4 = + 1.0000 Na+ + 1.0000 TcO4-
log_k 1.5208
-delta_H 0 # Not possible to calculate enthalpy of reaction NaTcO4
# Enthalpy of formation: 0 kcal/mol
NaUO3
NaUO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 Na+ + 1.0000 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+001 7.0505e-004 4.5359e+003 1.1828e+001 7.0790e+001
# -Range: 0-300
Nahcolite
NaHCO3 = + 1.0000 HCO3- + 1.0000 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+002 -5.9693e-002 5.4887e+003 8.9744e+001 8.5712e+001
# -Range: 0-300
Nantokite
CuCl = + 1.0000 Cl- + 1.0000 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+001 -1.1201e-002 -1.8709e+003 1.0221e+001 -3.1763e+001
# -Range: 0-200
Natrolite
Na2Al2Si3O10:2H2O +8.0000 H+ = + 2.0000 Al+++ + 2.0000 Na+ + 3.0000 SiO2 + 6.0000 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+001 -2.7963e-003 1.6075e+004 1.5332e+000 -9.5765e+005
# -Range: 0-300
Natron
Na2CO3:10H2O +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Na+ + 10.0000 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+002 -2.9247e-002 5.2937e+003 8.0973e+001 8.2662e+001
# -Range: 0-300
Natrosilite
Na2Si2O5 +2.0000 H+ = + 1.0000 H2O + 2.0000 Na+ + 2.0000 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+001 1.6865e-002 1.3302e+004 4.2356e+000 -1.2828e+006
# -Range: 0-300
Naumannite
Ag2Se = + 1.0000 Se-- + 2.0000 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+001 -1.0965e-002 -1.4739e+004 1.9842e+001 -2.2998e+002
# -Range: 0-300
Nd
Nd +3.0000 H+ +0.7500 O2 = + 1.0000 Nd+++ + 1.5000 H2O
log_k 182.2233
-delta_H -1116.29 kJ/mol # Calculated enthalpy of reaction Nd
# Enthalpy of formation: 0 kJ/mol
-analytic -2.7390e+002 -5.6545e-002 7.1502e+004 9.7969e+001 -8.2482e+005
# -Range: 0-300
Nd(OH)3
Nd(OH)3 +3.0000 H+ = + 1.0000 Nd+++ + 3.0000 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 +3.0000 H+ = + 1.0000 Nd+++ + 3.0000 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 +3.0000 H+ = + 1.0000 Nd+++ + 3.0000 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 +3.0000 H+ = + 2.0000 Nd+++ + 3.0000 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 +6.0000 H+ = + 2.0000 Nd+++ + 3.0000 H2O
log_k 58.6000
-delta_H 0 # Not possible to calculate enthalpy of reaction Nd2O3
# Enthalpy of formation: 0 kcal/mol
NdF3:.5H2O
NdF3:.5H2O = + 0.5000 H2O + 1.0000 Nd+++ + 3.0000 F-
log_k -18.6000
-delta_H 0 # Not possible to calculate enthalpy of reaction NdF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
NdOHCO3
NdOHCO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Nd+++
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 +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Nd+++ + 10.0000 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 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 1.0000 SiO2 + 2.0000 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+001 -8.8171e-003 8.5653e+003 6.0904e+000 -2.2786e+005
# -Range: 0-300
Nesquehonite
MgCO3:3H2O +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Mg++ + 3.0000 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+002 -6.0397e-002 -3.5049e+004 -1.8831e+001 4.4213e+006
# -Range: 0-300
Ni
Ni +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Ni++
log_k 50.9914
-delta_H -333.745 kJ/mol # Calculated enthalpy of reaction Ni
# Enthalpy of formation: 0 kcal/mol
-analytic -5.8308e+001 -2.0133e-002 1.8444e+004 2.1590e+001 2.8781e+002
# -Range: 0-300
Ni(OH)2
Ni(OH)2 +2.0000 H+ = + 1.0000 Ni++ + 2.0000 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+001 -5.9499e-003 7.3471e+003 2.2290e+001 1.2479e+002
# -Range: 0-200
Ni2P2O7
Ni2P2O7 +1.0000 H2O = + 2.0000 HPO4-- + 2.0000 Ni++
log_k -8.8991
-delta_H 0 # Not possible to calculate enthalpy of reaction Ni2P2O7
# Enthalpy of formation: 0 kcal/mol
Ni2SiO4
Ni2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Ni++
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+001 -1.1194e-002 9.6515e+003 1.2026e+001 -3.6336e+005
# -Range: 0-300
Ni3(PO4)2
Ni3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Ni++
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 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Ni++
log_k 3.5118
-delta_H 0 # Not possible to calculate enthalpy of reaction NiCO3
# Enthalpy of formation: 0 kcal/mol
NiCl2
NiCl2 = + 1.0000 Ni++ + 2.0000 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+000 -2.3139e-002 2.6529e+003 3.1696e+000 4.5052e+001
# -Range: 0-200
NiCl2:2H2O
NiCl2:2H2O = + 1.0000 Ni++ + 2.0000 Cl- + 2.0000 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+001 -2.2602e-002 2.5951e+003 2.0518e+001 4.4086e+001
# -Range: 0-200
NiCl2:4H2O
NiCl2:4H2O = + 1.0000 Ni++ + 2.0000 Cl- + 4.0000 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+002 -2.4691e-002 3.9978e+003 4.1727e+001 6.7926e+001
# -Range: 0-200
NiF2
NiF2 = + 1.0000 Ni++ + 2.0000 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+002 -8.4179e-002 9.3429e+003 1.0002e+002 1.4586e+002
# -Range: 0-300
NiF2:4H2O
NiF2:4H2O = + 1.0000 Ni++ + 2.0000 F- + 4.0000 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 = + 1.0000 Ni++ + 1.0000 SO4--
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+002 -7.6403e-002 7.9412e+003 7.6866e+001 1.2397e+002
# -Range: 0-300
NiSO4:6H2O(alpha)
NiSO4:6H2O = + 1.0000 Ni++ + 1.0000 SO4-- + 6.0000 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+002 -1.3785e-002 4.1543e+003 4.3454e+001 7.0587e+001
# -Range: 0-200
Nickelbischofite
NiCl2:6H2O = + 1.0000 Ni++ + 2.0000 Cl- + 6.0000 H2O
log_k 3.1681
-delta_H 0.064088 kJ/mol # Calculated enthalpy of reaction Nickelbischofite
# Enthalpy of formation: -2103.23 kJ/mol
-analytic -1.4340e+002 -2.1257e-002 5.1858e+003 5.4759e+001 8.8112e+001
# -Range: 0-200
Ningyoite
CaUP2O8:2H2O +2.0000 H+ = + 1.0000 Ca++ + 1.0000 U++++ + 2.0000 H2O + 2.0000 HPO4--
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+002 -4.9041e-002 1.7779e+003 3.2973e+001 3.0227e+001
# -Range: 0-200
Niter
KNO3 = + 1.0000 K+ + 1.0000 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+001 -2.8165e-002 -4.0131e+002 3.0361e+001 -6.2425e+000
# -Range: 0-300
Nitrobarite
Ba(NO3)2 = + 1.0000 Ba++ + 2.0000 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+002 -6.5831e-002 1.2142e+003 7.0664e+001 1.8995e+001
# -Range: 0-300
Nontronite-Ca
Ca.165Fe2Al.33Si3.67H2O12 +7.3200 H+ = + 0.1650 Ca++ + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 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+001 4.3557e-003 1.0221e+004 -1.8690e+001 -1.5427e+006
# -Range: 0-300
Nontronite-Cs
Cs.33Si4Fe1.67Mg.33H2O12 +6.0000 H+ = + 0.3300 Cs+ + 0.3300 Mg++ + 1.6700 Fe+++ + 4.0000 H2O + 4.0000 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+001 1.0033e-002 1.7668e+004 -9.0129e+000 -2.0143e+006
# -Range: 0-300
Nontronite-H
H.33Fe2Al.33Si3.67H2O12 +6.9900 H+ = + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 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+001 1.4055e-002 4.7440e+003 -4.7272e+001 -1.2103e+006
# -Range: 0-300
Nontronite-K
K.33Fe2Al.33Si3.67H2O12 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 K+ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 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 1.3630e+001 4.7708e-003 1.0073e+004 -1.7407e+001 -1.5803e+006
# -Range: 0-300
Nontronite-Mg
Mg.165Fe2Al.33Si3.67H2O12 +7.3200 H+ = + 0.1650 Mg++ + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O
log_k -11.6200
-delta_H -41.1779 kJ/mol # Calculated enthalpy of reaction Nontronite-Mg
# Enthalpy of formation: -1162.93 kcal/mol
-analytic 5.5961e+001 1.0139e-002 8.0777e+003 -3.3164e+001 -1.4031e+006
# -Range: 0-300
Nontronite-Na
Na.33Fe2Al.33Si3.67H2O12 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 Na+ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 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+001 1.2851e-002 7.1218e+003 -3.7112e+001 -1.3758e+006
# -Range: 0-300
Np
Np +4.0000 H+ +1.0000 O2 = + 1.0000 Np++++ + 2.0000 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+001 -1.4340e-002 5.7853e+004 6.6512e+000 9.0275e+002
# -Range: 0-300
Np(HPO4)2
Np(HPO4)2 = + 1.0000 Np++++ + 2.0000 HPO4--
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+002 -1.3955e-001 7.1370e+003 1.4261e+002 1.1147e+002
# -Range: 0-300
Np(OH)4
Np(OH)4 +4.0000 H+ = + 1.0000 Np++++ + 4.0000 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+001 -1.0532e-002 7.1132e+003 3.0398e+001 1.1102e+002
# -Range: 0-300
Np2O5
Np2O5 +2.0000 H+ = + 1.0000 H2O + 2.0000 NpO2+
log_k 9.5000
-delta_H -94.4576 kJ/mol # Calculated enthalpy of reaction Np2O5
# Enthalpy of formation: -513.232 kcal/mol
-analytic 5.9974e+003 1.4553e+000 -1.7396e+005 -2.3595e+003 -2.9689e+003
# -Range: 25-150
NpO2
NpO2 +4.0000 H+ = + 1.0000 Np++++ + 2.0000 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+001 -1.1017e-002 4.4742e+003 2.0421e+001 6.9836e+001
# -Range: 0-300
NpO2(OH)2
NpO2(OH)2 +2.0000 H+ = + 1.0000 NpO2++ + 2.0000 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+001 -1.5987e-003 3.8301e+003 8.4735e+000 5.9773e+001
# -Range: 0-300
NpO2OH(am)
NpO2OH +1.0000 H+ = + 1.0000 H2O + 1.0000 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+000 6.7122e-003 2.5390e+003 -9.7040e-001 3.9619e+001
# -Range: 0-300
Okenite
CaSi2O4(OH)2:H2O +2.0000 H+ = + 1.0000 Ca++ + 2.0000 SiO2 + 3.0000 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+001 1.5091e-002 1.3023e+004 2.1337e+001 -1.1831e+006
# -Range: 0-300
Orpiment
As2S3 +6.0000 H2O = + 2.0000 H2AsO3- + 3.0000 HS- + 5.0000 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+002 -1.4977e-001 -1.5711e+004 1.4448e+002 -2.4505e+002
# -Range: 0-300
Otavite
CdCO3 +1.0000 H+ = + 1.0000 Cd++ + 1.0000 HCO3-
log_k -1.7712
-delta_H 0 # Not possible to calculate enthalpy of reaction Otavite
# Enthalpy of formation: 0 kcal/mol
Ottemannite
Sn2S3 +3.0000 H+ = + 1.0000 Sn++ + 1.0000 Sn++++ + 3.0000 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+001 -5.9171e-002 -1.3469e+004 3.2092e+001 -2.2870e+002
# -Range: 0-200
Oxychloride-Mg
Mg2Cl(OH)3:4H2O +3.0000 H+ = + 1.0000 Cl- + 2.0000 Mg++ + 7.0000 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 +1.5000 H2O +1.2500 O2 = + 1.0000 HPO4-- + 2.0000 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+001 -6.8342e-002 4.3465e+004 4.0156e+001 6.7826e+002
# -Range: 0-300
Paragonite
NaAl3Si3O10(OH)2 +10.0000 H+ = + 1.0000 Na+ + 3.0000 Al+++ + 3.0000 SiO2 + 6.0000 H2O
log_k 17.5220
-delta_H -275.056 kJ/mol # Calculated enthalpy of reaction Paragonite
# Enthalpy of formation: -1416.96 kcal/mol
-analytic 3.5507e+001 -1.0720e-002 1.3519e+004 -2.2283e+001 -4.5657e+005
# -Range: 0-300
Paralaurionite
PbClOH +1.0000 H+ = + 1.0000 Cl- + 1.0000 H2O + 1.0000 Pb++
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+001 -1.0520e-002 -5.3551e+002 6.6175e+000 -9.0896e+000
# -Range: 0-200
Pargasite
NaCa2Al3Mg4Si6O22(OH)2 +22.0000 H+ = + 1.0000 Na+ + 2.0000 Ca++ + 3.0000 Al+++ + 4.0000 Mg++ + 6.0000 SiO2 + 12.0000 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+001 -3.7817e-002 5.0493e+004 9.2705e+000 -1.0163e+006
# -Range: 0-300
Parsonsite
Pb2UO2(PO4)2:2H2O +2.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 HPO4-- + 2.0000 Pb++
log_k -27.7911
-delta_H 0 # Not possible to calculate enthalpy of reaction Parsonsite
# Enthalpy of formation: 0 kcal/mol
Pb
Pb +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Pb++
log_k 47.1871
-delta_H -278.851 kJ/mol # Calculated enthalpy of reaction Pb
# Enthalpy of formation: 0 kJ/mol
-analytic -3.1784e+001 -1.4816e-002 1.4984e+004 1.3383e+001 2.3381e+002
# -Range: 0-300
Pb(H2PO4)2
Pb(H2PO4)2 = + 1.0000 Pb++ + 2.0000 H+ + 2.0000 HPO4--
log_k -9.8400
-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 = + 1.0000 Pb++ + 2.0000 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+000 -1.4164e-002 -3.6236e+003 3.7209e+000 -6.1532e+001
# -Range: 0-200
Pb(N3)2(mono)
Pb(N3)2 = + 1.0000 Pb++ + 2.0000 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+001 -1.1168e-002 -7.0041e+003 -1.6812e+001 -1.1896e+002
# -Range: 0-200
Pb(N3)2(orth)
Pb(N3)2 = + 1.0000 Pb++ + 2.0000 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+001 -1.1215e-002 -7.1081e+003 -1.6732e+001 -1.2073e+002
# -Range: 0-200
Pb(Thiocyanate)2
Pb(Thiocyanate)2 = + 1.0000 Pb++ + 2.0000 Thiocyanate-
log_k -0.0910
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb(Thiocyanate)2
# Enthalpy of formation: 151.212 kJ/mol
-analytic 7.4247e+000 -1.6226e-002 0.0000e+000 0.0000e+000 -2.3938e+005
# -Range: 0-200
Pb2Cl2CO3
Pb2Cl2CO3 +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Cl- + 2.0000 Pb++
log_k -9.6180
-delta_H 0 # Not possible to calculate enthalpy of reaction Pb2Cl2CO3
# Enthalpy of formation: 0 kcal/mol
Pb2Cl5NH4
Pb2Cl5NH4 = + 1.0000 H+ + 1.0000 NH3 + 2.0000 Pb++ + 5.0000 Cl-
log_k -19.6100
-delta_H 119.617 kJ/mol # Calculated enthalpy of reaction Pb2Cl5NH4
# Enthalpy of formation: -1034.51 kJ/mol
-analytic 1.3149e+001 -4.8598e-002 -9.8473e+003 5.9552e+000 -1.6723e+002
# -Range: 0-200
Pb2O(N3)2
Pb2O(N3)2 +2.0000 H+ = + 1.0000 H2O + 2.0000 N3- + 2.0000 Pb++
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 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Pb++
log_k 18.0370
-delta_H -83.9883 kJ/mol # Calculated enthalpy of reaction Pb2SiO4
# Enthalpy of formation: -1363.55 kJ/mol
-analytic 2.7287e+002 6.3875e-002 -3.7001e+003 -1.0568e+002 -6.2927e+001
# -Range: 0-200
Pb3(PO4)2
Pb3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Pb++
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 +4.0000 H+ = + 1.0000 SO4-- + 2.0000 H2O + 3.0000 Pb++
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+000 -1.8639e-002 3.0245e+003 4.5760e+000 5.1362e+001
# -Range: 0-200
Pb4Cl2(OH)6
Pb4Cl2(OH)6 +6.0000 H+ = + 2.0000 Cl- + 4.0000 Pb++ + 6.0000 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 +4.0000 H+ = + 1.0000 H2O + 2.0000 HPO4-- + 4.0000 Pb++
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 +6.0000 H+ = + 1.0000 SO4-- + 3.0000 H2O + 4.0000 Pb++
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+001 -2.1429e-002 6.8390e+003 1.2951e+001 1.1614e+002
# -Range: 0-200
PbBr2
PbBr2 = + 1.0000 Pb++ + 2.0000 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+001 -1.6567e-002 -4.2879e+003 -6.8329e+000 -7.2825e+001
# -Range: 0-200
PbBrF
PbBrF = + 1.0000 Br- + 1.0000 F- + 1.0000 Pb++
log_k -8.0418
-delta_H 0 # Not possible to calculate enthalpy of reaction PbBrF
# Enthalpy of formation: 0 kcal/mol
PbCO3.PbO
PbCO3.PbO +3.0000 H+ = + 1.0000 H2O + 1.0000 HCO3- + 2.0000 Pb++
log_k 9.6711
-delta_H -55.4286 kJ/mol # Calculated enthalpy of reaction PbCO3.PbO
# Enthalpy of formation: -918.502 kJ/mol
-analytic -4.2160e+001 -1.4124e-002 3.8661e+003 1.7404e+001 6.5667e+001
# -Range: 0-200
PbF2
PbF2 = + 1.0000 Pb++ + 2.0000 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+002 -7.9552e-002 5.2198e+003 9.2173e+001 8.1516e+001
# -Range: 0-300
PbFCl
PbFCl = + 1.0000 Cl- + 1.0000 F- + 1.0000 Pb++
log_k -8.9820
-delta_H 33.1852 kJ/mol # Calculated enthalpy of reaction PbFCl
# Enthalpy of formation: -534.692 kJ/mol
-analytic 6.1688e+000 -2.0732e-002 -3.4666e+003 1.0697e+000 -5.8869e+001
# -Range: 0-200
PbHPO4
PbHPO4 = + 1.0000 HPO4-- + 1.0000 Pb++
log_k -15.7275
-delta_H 0 # Not possible to calculate enthalpy of reaction PbHPO4
# Enthalpy of formation: 0 kcal/mol
PbI2
PbI2 = + 1.0000 Pb++ + 2.0000 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+001 -2.0582e-002 -5.1256e+003 0.0000e+000 0.0000e+000
# -Range: 0-200
PbSO4(NH3)2
PbSO4(NH3)2 = + 1.0000 Pb++ + 1.0000 SO4-- + 2.0000 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-001 -1.0192e-002 -2.0095e+003 2.9853e+000 -3.4124e+001
# -Range: 0-200
PbSO4(NH3)4
PbSO4(NH3)4 = + 1.0000 Pb++ + 1.0000 SO4-- + 4.0000 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 -4.1080e+001 -7.2307e-003 6.6637e+001 1.7984e+001 1.1460e+000
# -Range: 0-200
PbSeO4
PbSeO4 = + 1.0000 Pb++ + 1.0000 SeO4--
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+001 -1.4192e-002 -3.0980e+003 -9.5448e+000 -5.2618e+001
# -Range: 0-200
Pd
Pd +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Pd++
log_k 12.0688
-delta_H -103.709 kJ/mol # Calculated enthalpy of reaction Pd
# Enthalpy of formation: 0 kcal/mol
-analytic -6.2530e+001 -1.9774e-002 6.7013e+003 2.3441e+001 1.0459e+002
# -Range: 0-300
PdO
PdO +2.0000 H+ = + 1.0000 H2O + 1.0000 Pd++
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+001 -1.9031e-002 3.8537e+003 3.3028e+001 6.0159e+001
# -Range: 0-300
Penroseite
NiSe2 +1.0000 H2O = + 0.5000 O2 + 1.0000 Ni++ + 2.0000 H+ + 2.0000 Se--
log_k -98.8004
-delta_H 0 # Not possible to calculate enthalpy of reaction Penroseite
# Enthalpy of formation: -26 kcal/mol
-analytic -4.7339e+001 -1.2035e-002 -2.3589e+004 1.2624e+001 -3.6808e+002
# -Range: 0-300
Pentahydrite
MgSO4:5H2O = + 1.0000 Mg++ + 1.0000 SO4-- + 5.0000 H2O
log_k -1.3872
-delta_H 0 # Not possible to calculate enthalpy of reaction Pentahydrite
# Enthalpy of formation: 0 kcal/mol
Periclase
MgO +2.0000 H+ = + 1.0000 H2O + 1.0000 Mg++
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+001 -1.8390e-002 1.0414e+004 3.2469e+001 1.6253e+002
# -Range: 0-300
Petalite
LiAlSi4O10 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Li+ + 2.0000 H2O + 4.0000 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+000 2.4316e-002 1.5949e+004 -1.3341e+001 -2.2265e+006
# -Range: 0-300
Phlogopite
KAlMg3Si3O10(OH)2 +10.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 3.0000 Mg++ + 3.0000 SiO2 + 6.0000 H2O
log_k 37.4400
-delta_H -310.503 kJ/mol # Calculated enthalpy of reaction Phlogopite
# Enthalpy of formation: -1488.07 kcal/mol
-analytic -8.7730e+001 -1.7253e-002 2.3748e+004 2.4465e+001 -8.9045e+005
# -Range: 0-300
Phosgenite
Pb2(CO3)Cl2 +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Cl- + 2.0000 Pb++
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+000 -2.9365e-002 -4.6327e+003 4.5068e+000 -7.8671e+001
# -Range: 0-200
Picromerite
K2Mg(SO4)2:6H2O = + 1.0000 Mg++ + 2.0000 K+ + 2.0000 SO4-- + 6.0000 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 +2.0000 H+ = + 1.0000 Ca++ + 2.0000 H2O + 2.0000 HCO3- + 2.0000 Na+
log_k 11.3230
-delta_H 0 # Not possible to calculate enthalpy of reaction Pirssonite
# Enthalpy of formation: 0 kcal/mol
Plattnerite
PbO2 +4.0000 H+ = + 1.0000 Pb++++ + 2.0000 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 +7.0000 H+ = + 1.0000 Pb++ + 2.0000 HPO4-- + 3.0000 Al+++ + 6.0000 H2O
log_k -8.1463
-delta_H 0 # Not possible to calculate enthalpy of reaction Plumbogummite
# Enthalpy of formation: 0 kcal/mol
Pm
Pm +3.0000 H+ +0.7500 O2 = + 1.0000 Pm+++ + 1.5000 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 +3.0000 H+ = + 1.0000 Pm+++ + 3.0000 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 +3.0000 H+ = + 1.0000 Pm+++ + 3.0000 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 +3.0000 H+ = + 2.0000 Pm+++ + 3.0000 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 +6.0000 H+ = + 2.0000 Pm+++ + 3.0000 H2O
log_k 48.8000
-delta_H 0 # Not possible to calculate enthalpy of reaction Pm2O3
# Enthalpy of formation: 0 kcal/mol
PmF3:.5H2O
PmF3:.5H2O = + 0.5000 H2O + 1.0000 Pm+++ + 3.0000 F-
log_k -18.1000
-delta_H 0 # Not possible to calculate enthalpy of reaction PmF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
PmPO4:10H2O
PmPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Pm+++ + 10.0000 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 +2.0000 H+ = + 1.0000 S2-- + 2.0000 HS- + 3.0000 Ni++
log_k -48.9062
-delta_H 0 # Not possible to calculate enthalpy of reaction Polydymite
# Enthalpy of formation: -78.014 kcal/mol
-analytic -1.8030e+001 -4.6945e-002 -1.1557e+004 8.8339e+000 -1.9625e+002
# -Range: 0-200
Polyhalite
K2MgCa2(SO4)4:2H2O = + 1.0000 Mg++ + 2.0000 Ca++ + 2.0000 H2O + 2.0000 K+ + 4.0000 SO4--
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 +2.0000 H+ = + 1.0000 Ca++ + 2.0000 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+001 -1.8373e-002 9.3154e+003 3.2584e+001 1.4538e+002
# -Range: 0-300
Pr
Pr +3.0000 H+ +0.7500 O2 = + 1.0000 Pr+++ + 1.5000 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+002 -7.5853e-002 7.9974e+004 1.4718e+002 -1.3148e+006
# -Range: 0-300
Pr(OH)3
Pr(OH)3 +3.0000 H+ = + 1.0000 Pr+++ + 3.0000 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 +3.0000 H+ = + 1.0000 Pr+++ + 3.0000 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 +3.0000 H+ = + 2.0000 Pr+++ + 3.0000 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 +6.0000 H+ = + 2.0000 Pr+++ + 3.0000 H2O
log_k 61.4000
-delta_H 0 # Not possible to calculate enthalpy of reaction Pr2O3
# Enthalpy of formation: 0 kcal/mol
PrF3:.5H2O
PrF3:.5H2O = + 0.5000 H2O + 1.0000 Pr+++ + 3.0000 F-
log_k -18.7000
-delta_H 0 # Not possible to calculate enthalpy of reaction PrF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
PrPO4:10H2O
PrPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Pr+++ + 10.0000 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 +10.0000 H+ = + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 6.0000 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+001 -2.1396e-002 2.0167e+004 6.3554e+000 -7.4967e+005
# -Range: 0-300
Przhevalskite
Pb(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Pb++ + 2.0000 HPO4-- + 2.0000 UO2++
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+001 -4.0756e-002 1.0077e+003 7.4885e+000 1.7122e+001
# -Range: 0-200
Pseudowollastonite
CaSiO3 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O + 1.0000 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+001 6.3323e-003 5.5723e+003 -1.1822e+001 -3.6038e+005
# -Range: 0-300
Pu
Pu +4.0000 H+ +1.0000 O2 = + 1.0000 Pu++++ + 2.0000 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+002 -3.4314e-002 6.6737e+004 6.3552e+001 -6.4737e+005
# -Range: 0-300
Pu(HPO4)2
Pu(HPO4)2 = + 1.0000 Pu++++ + 2.0000 HPO4--
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+002 -1.3961e-001 7.9105e+003 1.4265e+002 1.2354e+002
# -Range: 0-300
Pu(OH)3
Pu(OH)3 +3.0000 H+ = + 1.0000 Pu+++ + 3.0000 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+001 -8.6952e-003 9.7733e+003 2.1664e+001 1.5252e+002
# -Range: 0-300
Pu(OH)4
Pu(OH)4 +4.0000 H+ = + 1.0000 Pu++++ + 4.0000 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+001 -1.0579e-002 6.5974e+003 3.0415e+001 1.0297e+002
# -Range: 0-300
Pu2O3
Pu2O3 +6.0000 H+ = + 2.0000 Pu+++ + 3.0000 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+001 -1.9784e-002 2.0832e+004 2.9096e+001 3.2509e+002
# -Range: 0-300
PuF3
PuF3 = + 1.0000 Pu+++ + 3.0000 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+002 -1.0854e-001 8.7435e+003 1.2279e+002 1.3653e+002
# -Range: 0-300
PuF4
PuF4 = + 1.0000 Pu++++ + 4.0000 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+002 -1.4500e-001 1.4076e+004 1.6709e+002 2.1977e+002
# -Range: 0-300
PuO2
PuO2 +4.0000 H+ = + 1.0000 Pu++++ + 2.0000 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+001 -1.1841e-002 4.4494e+003 2.1491e+001 6.9450e+001
# -Range: 0-300
PuO2(OH)2
PuO2(OH)2 +2.0000 H+ = + 1.0000 PuO2++ + 2.0000 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+001 -1.6542e-003 2.8262e+003 8.5277e+000 4.4108e+001
# -Range: 0-300
PuO2HPO4
PuO2HPO4 = + 1.0000 HPO4-- + 1.0000 PuO2++
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+002 -6.6166e-002 3.0557e+003 6.4577e+001 4.7729e+001
# -Range: 0-300
PuO2OH(am)
PuO2OH +1.0000 H+ = + 1.0000 H2O + 1.0000 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+000 6.7573e-003 2.6884e+003 -9.8622e-001 4.1951e+001
# -Range: 0-300
Pyrite
FeS2 +1.0000 H2O = + 0.2500 H+ + 0.2500 SO4-- + 1.0000 Fe++ + 1.7500 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+002 -8.7948e-002 -6.2911e+002 9.9248e+001 -9.7454e+000
# -Range: 0-300
Pyrolusite
MnO2 = + 0.5000 Mn++ + 0.5000 MnO4--
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+002 -4.1665e-002 -1.8960e+003 4.7094e+001 -2.9551e+001
# -Range: 0-300
Pyromorphite
Pb5(PO4)3Cl +3.0000 H+ = + 1.0000 Cl- + 3.0000 HPO4-- + 5.0000 Pb++
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 +4.0000 H+ = + 1.0000 H2O + 3.0000 HPO4-- + 5.0000 Pb++
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 +6.0000 H+ = + 2.0000 Al+++ + 4.0000 H2O + 4.0000 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+001 1.2707e-002 1.6417e+004 -1.9596e+001 -1.8791e+006
# -Range: 0-300
Pyrrhotite
FeS +1.0000 H+ = + 1.0000 Fe++ + 1.0000 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+002 -5.2258e-002 3.9711e+003 6.3195e+001 6.2012e+001
# -Range: 0-300
Quartz
SiO2 = + 1.0000 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-002 1.0612e-002 3.4651e+003 -4.3551e+000 -7.2138e+005
# -Range: 0-300
Ra
Ra +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Ra++
log_k 141.3711
-delta_H -807.374 kJ/mol # Calculated enthalpy of reaction Ra
# Enthalpy of formation: 0 kJ/mol
-analytic 4.9867e+001 5.9412e-003 4.0293e+004 -1.8356e+001 6.8421e+002
# -Range: 0-200
Ra(NO3)2
Ra(NO3)2 = + 1.0000 Ra++ + 2.0000 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+001 -9.5263e-003 -3.9389e+003 -3.3143e+000 -6.6896e+001
# -Range: 0-200
RaCl2:2H2O
RaCl2:2H2O = + 1.0000 Ra++ + 2.0000 Cl- + 2.0000 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+001 -1.8918e-002 -1.5713e+003 1.4213e+001 -2.6673e+001
# -Range: 0-200
RaSO4
RaSO4 = + 1.0000 Ra++ + 1.0000 SO4--
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+001 -1.1376e-002 -5.1347e+003 -1.5306e+001 -8.7211e+001
# -Range: 0-200
Rankinite
Ca3Si2O7 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 Ca++ + 3.0000 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+001 -1.6592e-002 2.4832e+004 3.2541e+001 -9.4630e+005
# -Range: 0-300
Rb
Rb +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 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+001 -8.7978e-003 2.0934e+004 1.0011e+001 3.2667e+002
# -Range: 0-300
Rb2UO4
Rb2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 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+001 3.1862e-003 1.0973e+004 1.3925e+001 1.8636e+002
# -Range: 0-200
Re
Re +1.7500 O2 +0.5000 H2O = + 1.0000 H+ + 1.0000 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+001 -2.9877e-002 2.9910e+004 0.0000e+000 0.0000e+000
# -Range: 0-300
Realgar
AsS +2.0000 H2O = + 0.5000 S2O4-- + 1.0000 AsH3 + 1.0000 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 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Mn++
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+002 -4.9344e-002 5.0937e+003 6.4402e+001 7.9531e+001
# -Range: 0-300
Rhodonite
MnSiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 Mn++ + 1.0000 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+001 4.9941e-003 4.5816e+003 -9.8212e+000 -3.0658e+005
# -Range: 0-300
Ripidolite-14A
Mg3Fe2Al2Si3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 2.0000 Fe++ + 3.0000 Mg++ + 3.0000 SiO2 + 12.0000 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+002 -6.1934e-002 3.2458e+004 6.2290e+001 5.0653e+002
# -Range: 0-300
Ripidolite-7A
Mg3Fe2Al2Si3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 2.0000 Fe++ + 3.0000 Mg++ + 3.0000 SiO2 + 12.0000 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+002 -6.3779e-002 3.3634e+004 6.7057e+001 5.2489e+002
# -Range: 0-300
Romarchite
SnO +2.0000 H+ = + 1.0000 H2O + 1.0000 Sn++
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+001 -1.5821e-002 2.2786e+003 2.4900e+001 3.5574e+001
# -Range: 0-300
Ru
Ru +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Ru++
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 +3.0000 H+ = + 1.0000 Ru+++ + 4.0000 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 = + 1.0000 Ru+++ + 3.0000 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 = + 1.0000 Ru+++ + 3.0000 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 = + 1.0000 Ru+++ + 3.0000 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 +2.0000 H+ = + 1.0000 Ru(OH)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 +2.0000 H+ = + 1.0000 Ru(OH)2++ + 2.0000 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 = + 1.0000 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 +2.0000 H2O = + 1.0000 Ru(OH)2++ + 2.0000 H+ + 2.0000 Se--
log_k -113.7236
-delta_H 0 # Not possible to calculate enthalpy of reaction RuSe2
# Enthalpy of formation: -146.274 kJ/mol
Rutherfordine
UO2CO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 UO2++
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+001 -3.1434e-002 2.6675e+003 3.4161e+001 4.1650e+001
# -Range: 0-300
Rutile
TiO2 +2.0000 H2O = + 1.0000 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 +1.0000 H2O = + 0.5000 O2 + 1.0000 H+ + 1.0000 HS-
log_k -45.0980
-delta_H 263.663 kJ/mol # Calculated enthalpy of reaction S
# Enthalpy of formation: 0 kJ/mol
-analytic -8.8928e+001 -2.8454e-002 -1.1516e+004 3.6747e+001 -1.7966e+002
# -Range: 0-300
Safflorite
CoAs2 +2.0000 H2O +1.0000 H+ +0.5000 O2 = + 1.0000 AsH3 + 1.0000 Co++ + 1.0000 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 +2.0000 H+ = + 1.0000 Mg++ + 2.0000 HPO4-- + 2.0000 UO2++
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+001 -4.4391e-002 3.9168e+003 1.6428e+001 6.6533e+001
# -Range: 0-200
Sanbornite
BaSi2O5 +2.0000 H+ = + 1.0000 Ba++ + 1.0000 H2O + 2.0000 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+001 1.2999e-002 1.2330e+004 2.1053e+000 -1.3913e+006
# -Range: 0-300
Sanidine_high
KAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 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+000 1.4495e-002 1.2856e+004 -9.8978e+000 -1.6572e+006
# -Range: 0-300
Saponite-Ca
Ca.165Mg3Al.33Si3.67O10(OH)2 +7.3200 H+ = + 0.1650 Ca++ + 0.3300 Al+++ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O
log_k 26.2900
-delta_H -207.971 kJ/mol # Calculated enthalpy of reaction Saponite-Ca
# Enthalpy of formation: -1436.51 kcal/mol
-analytic -4.6904e+001 6.2555e-003 2.2572e+004 5.3198e+000 -1.5725e+006
# -Range: 0-300
Saponite-Cs
Cs.33Si3.67Al.33Mg3O10(OH)2 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 Cs+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 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+001 -3.6418e-005 2.3346e+004 1.7578e+001 -1.6319e+006
# -Range: 0-300
Saponite-H
H.33Mg3Al.33Si3.67O10(OH)2 +6.9900 H+ = + 0.3300 Al+++ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 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+001 8.9566e-003 2.2165e+004 2.3941e+000 -1.5933e+006
# -Range: 0-300
Saponite-K
K.33Mg3Al.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 K+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 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+001 1.8392e-002 1.7918e+004 -2.2874e+001 -1.3542e+006
# -Range: 0-300
Saponite-Mg
Mg3.165Al.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 Al+++ + 3.1650 Mg++ + 3.6700 SiO2 + 4.6600 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+000 1.4320e-002 1.9418e+004 -1.5259e+001 -1.3716e+006
# -Range: 0-300
Saponite-Na
Na.33Mg3Al.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 Na+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 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+001 4.7327e-003 2.3586e+004 1.2868e+001 -1.6493e+006
# -Range: 0-300
Sb
Sb +1.5000 H2O +0.7500 O2 = + 1.0000 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 = + 1.0000 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 +3.0000 H2O = + 2.0000 Sb(OH)3
log_k -8.9600
-delta_H 0 # Not possible to calculate enthalpy of reaction Sb2O3
# Enthalpy of formation: 0 kcal/mol
-analytic 2.3982e+000 -7.6326e-005 -3.3787e+003 0.0000e+000 0.0000e+000
# -Range: 0-300
Sb2O4
Sb2O4 +3.0000 H2O = + 0.5000 O2 + 2.0000 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 +3.0000 H2O = + 1.0000 O2 + 2.0000 Sb(OH)3
log_k -46.9320
-delta_H 269.763 kJ/mol # Calculated enthalpy of reaction Sb2O5
# Enthalpy of formation: -971.96 kJ/mol
Sb4O6(cubic)
Sb4O6 +6.0000 H2O = + 4.0000 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 +6.0000 H2O = + 4.0000 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 +3.0000 H2O = + 1.0000 Sb(OH)3 + 3.0000 Br- + 3.0000 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 +3.0000 H2O = + 1.0000 Sb(OH)3 + 3.0000 Cl- + 3.0000 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 +3.0000 H+ +0.7500 O2 = + 1.0000 Sc+++ + 1.5000 H2O
log_k 167.2700
-delta_H -1033.87 kJ/mol # Calculated enthalpy of reaction Sc
# Enthalpy of formation: 0 kJ/mol
-analytic -6.6922e+001 -2.9150e-002 5.4559e+004 2.4189e+001 8.5137e+002
# -Range: 0-300
Scacchite
MnCl2 = + 1.0000 Mn++ + 2.0000 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+002 -8.2437e-002 9.0088e+003 9.6128e+001 1.4064e+002
# -Range: 0-300
Schoepite
UO3:2H2O +2.0000 H+ = + 1.0000 UO2++ + 3.0000 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+001 1.0884e-002 2.5412e+003 -8.3167e+000 3.9649e+001
# -Range: 0-300
Schoepite-dehy(.393)
UO3:.393H2O +2.0000 H+ = + 1.0000 UO2++ + 1.3930 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+001 -3.0358e-003 5.7044e+003 1.8179e+001 9.6887e+001
# -Range: 0-200
Schoepite-dehy(.648)
UO3:.648H2O +2.0000 H+ = + 1.0000 UO2++ + 1.6480 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 -6.3010e+001 -3.0276e-003 5.8033e+003 2.0471e+001 9.8569e+001
# -Range: 0-200
Schoepite-dehy(.85)
UO3:.85H2O +2.0000 H+ = + 1.0000 UO2++ + 1.8500 H2O
log_k 5.0970
-delta_H -56.4009 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.85)
# Enthalpy of formation: -1491.4 kJ/mol
-analytic -6.7912e+001 -3.0420e-003 5.5690e+003 2.2323e+001 9.4593e+001
# -Range: 0-200
Schoepite-dehy(.9)
UO3:.9H2O +2.0000 H+ = + 1.0000 UO2++ + 1.9000 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+001 -2.0144e-003 3.2910e+003 4.2751e+000 5.1358e+001
# -Range: 0-300
Schoepite-dehy(1.0)
UO3:H2O +2.0000 H+ = + 1.0000 UO2++ + 2.0000 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 -7.2080e+001 -3.0503e-003 5.8024e+003 2.3695e+001 9.8557e+001
# -Range: 0-200
Scolecite
CaAl2Si3O10:3H2O +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 3.0000 SiO2 + 7.0000 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+001 -3.1485e-003 1.0574e+004 -2.5663e+001 -5.2769e+005
# -Range: 0-300
Se
Se +1.0000 H2O +1.0000 O2 = + 1.0000 SeO3-- + 2.0000 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+001 -6.5681e-002 1.0736e+004 4.2358e+001 1.6755e+002
# -Range: 0-300
Se2O5
Se2O5 +2.0000 H2O = + 1.0000 SeO3-- + 1.0000 SeO4-- + 4.0000 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+002 -2.4491e-002 -5.6147e+002 -3.6960e+001 -9.5719e+000
# -Range: 0-200
SeCl4
SeCl4 +3.0000 H2O = + 1.0000 SeO3-- + 4.0000 Cl- + 6.0000 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+002 -1.8323e-001 1.3074e+004 1.7267e+002 2.0413e+002
# -Range: 0-300
SeO3
SeO3 +1.0000 H2O = + 1.0000 SeO4-- + 2.0000 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+002 -6.4398e-002 9.5505e+003 5.9941e+001 1.4907e+002
# -Range: 0-300
Sellaite
MgF2 = + 1.0000 Mg++ + 2.0000 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+002 -8.5487e-002 6.8237e+003 1.0595e+002 1.0656e+002
# -Range: 0-300
Sepiolite
Mg4Si6O15(OH)2:6H2O +8.0000 H+ = + 4.0000 Mg++ + 6.0000 SiO2 + 11.0000 H2O
log_k 30.4439
-delta_H -157.339 kJ/mol # Calculated enthalpy of reaction Sepiolite
# Enthalpy of formation: -2418 kcal/mol
-analytic 1.8690e+001 4.7544e-002 2.6765e+004 -2.5301e+001 -2.6498e+006
# -Range: 0-300
Shcherbinaite
V2O5 +2.0000 H+ = + 1.0000 H2O + 2.0000 VO2+
log_k -1.4520
-delta_H -34.7917 kJ/mol # Calculated enthalpy of reaction Shcherbinaite
# Enthalpy of formation: -1550.6 kJ/mol
-analytic -1.4791e+002 -2.2464e-002 6.6865e+003 5.2832e+001 1.0438e+002
# -Range: 0-300
Si
Si +1.0000 O2 = + 1.0000 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+002 -7.6302e-002 8.3516e+004 2.0045e+002 -2.8494e+006
# -Range: 0-300
SiO2(am)
SiO2 = + 1.0000 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+000 7.0767e-003 2.3634e+003 -3.4449e+000 -4.8591e+005
# -Range: 0-300
Siderite
FeCO3 +1.0000 H+ = + 1.0000 Fe++ + 1.0000 HCO3-
log_k -0.1920
-delta_H -32.5306 kJ/mol # Calculated enthalpy of reaction Siderite
# Enthalpy of formation: -179.173 kcal/mol
-analytic -1.5990e+002 -4.9361e-002 5.4947e+003 6.3032e+001 8.5787e+001
# -Range: 0-300
Sillimanite
Al2SiO5 +6.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O
log_k 16.3080
-delta_H -238.442 kJ/mol # Calculated enthalpy of reaction Sillimanite
# Enthalpy of formation: -615.099 kcal/mol
-analytic -7.1610e+001 -3.2196e-002 1.2493e+004 2.2449e+001 1.9496e+002
# -Range: 0-300
Sklodowskite
Mg(H3O)2(UO2)2(SiO4)2:4H2O +6.0000 H+ = + 1.0000 Mg++ + 2.0000 SiO2 + 2.0000 UO2++ + 10.0000 H2O
log_k 13.7915
-delta_H 0 # Not possible to calculate enthalpy of reaction Sklodowskite
# Enthalpy of formation: 0 kcal/mol
Sm
Sm +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Sm++
log_k 133.1614
-delta_H -783.944 kJ/mol # Calculated enthalpy of reaction Sm
# Enthalpy of formation: 0 kJ/mol
-analytic -7.1599e+001 -2.0083e-002 4.2693e+004 2.7291e+001 6.6621e+002
# -Range: 0-300
Sm(OH)3
Sm(OH)3 +3.0000 H+ = + 1.0000 Sm+++ + 3.0000 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 +3.0000 H+ = + 1.0000 Sm+++ + 3.0000 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 +3.0000 H+ = + 2.0000 Sm+++ + 3.0000 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 = + 2.0000 Sm+++ + 3.0000 SO4--
log_k -9.8000
-delta_H 0 # Not possible to calculate enthalpy of reaction Sm2(SO4)3
# Enthalpy of formation: 0 kcal/mol
Sm2O3
Sm2O3 +6.0000 H+ = + 2.0000 Sm+++ + 3.0000 H2O
log_k 42.9000
-delta_H 0 # Not possible to calculate enthalpy of reaction Sm2O3
# Enthalpy of formation: 0 kcal/mol
SmF3:.5H2O
SmF3:.5H2O = + 0.5000 H2O + 1.0000 Sm+++ + 3.0000 F-
log_k -17.5000
-delta_H 0 # Not possible to calculate enthalpy of reaction SmF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
SmPO4:10H2O
SmPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Sm+++ + 10.0000 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 +8.0000 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
log_k 17.4200
-delta_H -199.841 kJ/mol # Calculated enthalpy of reaction Smectite-high-Fe-Mg
# Enthalpy of formation: -1351.39 kcal/mol
-analytic -9.6102e+000 1.2551e-003 1.8157e+004 -7.9862e+000 -1.3005e+006
# -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 +7.0000 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
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+001 6.9848e-003 1.8359e+004 -6.8896e+000 -1.6637e+006
# -Range: 0-300
Smithsonite
ZnCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Zn++
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+002 -5.0231e-002 5.5925e+003 6.5139e+001 8.7314e+001
# -Range: 0-300
Sn
Sn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Sn++
log_k 47.8615
-delta_H -288.558 kJ/mol # Calculated enthalpy of reaction Sn
# Enthalpy of formation: 0 kcal/mol
-analytic -1.3075e+002 -3.3807e-002 1.9548e+004 5.0382e+001 -1.3868e+005
# -Range: 0-300
Sn(OH)2
Sn(OH)2 +2.0000 H+ = + 1.0000 Sn++ + 2.0000 H2O
log_k 1.8400
-delta_H -19.6891 kJ/mol # Calculated enthalpy of reaction Sn(OH)2
# Enthalpy of formation: -560.774 kJ/mol
-analytic -6.1677e+001 -5.3258e-003 3.3656e+003 2.1748e+001 5.7174e+001
# -Range: 0-200
Sn(SO4)2
Sn(SO4)2 = + 1.0000 Sn++++ + 2.0000 SO4--
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+001 -5.1758e-002 3.7671e+003 4.1861e-001 6.3965e+001
# -Range: 0-200
Sn3S4
Sn3S4 +4.0000 H+ = + 1.0000 Sn++++ + 2.0000 Sn++ + 4.0000 HS-
log_k -61.9790
-delta_H 318.524 kJ/mol # Calculated enthalpy of reaction Sn3S4
# Enthalpy of formation: -88.5 kcal/mol
-analytic -8.1325e+001 -7.4589e-002 -1.7953e+004 4.1138e+001 -3.0484e+002
# -Range: 0-200
SnBr2
SnBr2 = + 1.0000 Sn++ + 2.0000 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+001 -1.7350e-002 -2.6653e+003 -5.1400e+000 -4.5269e+001
# -Range: 0-200
SnBr4
SnBr4 = + 1.0000 Sn++++ + 4.0000 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+001 -5.5193e-002 -8.1888e+001 5.7935e+000 -1.3940e+000
# -Range: 0-200
SnCl2
SnCl2 = + 1.0000 Sn++ + 2.0000 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+000 -2.1475e-002 -1.1676e+003 1.0749e+000 -1.9829e+001
# -Range: 0-200
SnSO4
SnSO4 = + 1.0000 SO4-- + 1.0000 Sn++
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+001 -1.4238e-002 -7.5915e+003 -9.8122e+000 -1.2892e+002
# -Range: 0-200
SnSe
SnSe = + 1.0000 Se-- + 1.0000 Sn++
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+000 9.5462e-004 -8.0009e+003 -4.2997e+000 -1.3587e+002
# -Range: 0-200
SnSe2
SnSe2 = + 1.0000 Sn++++ + 2.0000 Se--
log_k -66.6570
-delta_H 0 # Not possible to calculate enthalpy of reaction SnSe2
# Enthalpy of formation: -29.8 kcal/mol
-analytic -3.6819e+001 -2.0966e-002 -1.5197e+004 1.1070e+001 -2.5806e+002
# -Range: 0-200
Soddyite
(UO2)2SiO4:2H2O +4.0000 H+ = + 1.0000 SiO2 + 2.0000 UO2++ + 4.0000 H2O
log_k 0.3920
-delta_H 0 # Not possible to calculate enthalpy of reaction Soddyite
# Enthalpy of formation: 0 kcal/mol
Sphaerocobaltite
CoCO3 +1.0000 H+ = + 1.0000 Co++ + 1.0000 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+002 -4.8957e-002 5.3158e+003 6.2075e+001 8.2995e+001
# -Range: 0-300
Sphalerite
ZnS +1.0000 H+ = + 1.0000 HS- + 1.0000 Zn++
log_k -11.4400
-delta_H 35.5222 kJ/mol # Calculated enthalpy of reaction Sphalerite
# Enthalpy of formation: -49 kcal/mol
-analytic -1.5497e+002 -4.8953e-002 1.7850e+003 6.1472e+001 2.7899e+001
# -Range: 0-300
Spinel
Al2MgO4 +8.0000 H+ = + 1.0000 Mg++ + 2.0000 Al+++ + 4.0000 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+002 -8.3595e-002 2.9251e+004 1.2260e+002 4.5654e+002
# -Range: 0-300
Spinel-Co
Co3O4 +8.0000 H+ = + 1.0000 Co++ + 2.0000 Co+++ + 4.0000 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+002 -8.0782e-002 1.4635e+004 1.1755e+002 2.2846e+002
# -Range: 0-300
Spodumene
LiAlSi2O6 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Li+ + 2.0000 H2O + 2.0000 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+000 2.1191e-003 9.6920e+003 -3.0484e+000 -7.8822e+005
# -Range: 0-300
Sr
Sr +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Sr++
log_k 141.7816
-delta_H -830.679 kJ/mol # Calculated enthalpy of reaction Sr
# Enthalpy of formation: 0 kJ/mol
-analytic -1.6271e+002 -3.1212e-002 5.1520e+004 5.9178e+001 -4.8390e+005
# -Range: 0-300
Sr(NO3)2
Sr(NO3)2 = + 1.0000 Sr++ + 2.0000 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+000 -1.2487e-002 -1.4872e+003 2.8124e+000 -2.5256e+001
# -Range: 0-200
Sr(NO3)2:4H2O
Sr(NO3)2:4H2O = + 1.0000 Sr++ + 2.0000 NO3- + 4.0000 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+001 -9.1155e-003 1.0856e+003 3.4061e+001 1.8464e+001
# -Range: 0-200
Sr(OH)2
Sr(OH)2 +2.0000 H+ = + 1.0000 Sr++ + 2.0000 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+001 -2.9123e-003 1.0175e+004 1.8643e+001 1.7280e+002
# -Range: 0-200
Sr2SiO4
Sr2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Sr++
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+001 2.0204e-003 1.2729e+004 -1.1584e+001 -1.9480e+005
# -Range: 0-300
Sr3(AsO4)2
Sr3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Sr++
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+001 -2.9367e-002 9.5849e+003 3.3126e+001 1.6279e+002
# -Range: 0-200
SrBr2
SrBr2 = + 1.0000 Sr++ + 2.0000 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+002 -7.2423e-002 7.6861e+003 7.8401e+001 1.1999e+002
# -Range: 0-300
SrBr2:6H2O
SrBr2:6H2O = + 1.0000 Sr++ + 2.0000 Br- + 6.0000 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 -2.2470e+002 -6.7920e-002 4.9432e+003 9.3758e+001 7.7200e+001
# -Range: 0-300
SrBr2:H2O
SrBr2:H2O = + 1.0000 H2O + 1.0000 Sr++ + 2.0000 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+002 -7.1402e-002 6.6358e+003 8.0673e+001 1.0360e+002
# -Range: 0-300
SrCl2
SrCl2 = + 1.0000 Sr++ + 2.0000 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+002 -7.6193e-002 7.0396e+003 8.4050e+001 1.0991e+002
# -Range: 0-300
SrCl2:2H2O
SrCl2:2H2O = + 1.0000 Sr++ + 2.0000 Cl- + 2.0000 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+002 -7.4349e-002 5.9400e+003 8.9330e+001 9.2752e+001
# -Range: 0-300
SrCl2:6H2O
SrCl2:6H2O = + 1.0000 Sr++ + 2.0000 Cl- + 6.0000 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+002 -1.8260e-002 3.7077e+003 5.1224e+001 6.3008e+001
# -Range: 0-200
SrCl2:H2O
SrCl2:H2O = + 1.0000 H2O + 1.0000 Sr++ + 2.0000 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+002 -7.7851e-002 6.5957e+003 9.0555e+001 1.0298e+002
# -Range: 0-300
SrCrO4
SrCrO4 = + 1.0000 CrO4-- + 1.0000 Sr++
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+001 -1.5589e-002 -2.1393e+003 -6.2628e+000 -3.6337e+001
# -Range: 0-200
SrF2
SrF2 = + 1.0000 Sr++ + 2.0000 F-
log_k -8.5400
-delta_H 0 # Not possible to calculate enthalpy of reaction SrF2
# Enthalpy of formation: 0 kcal/mol
SrHPO4
SrHPO4 = + 1.0000 HPO4-- + 1.0000 Sr++
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+000 -1.8533e-002 -8.2021e+002 -1.3667e+000 -1.3930e+001
# -Range: 0-200
SrI2
SrI2 = + 1.0000 Sr++ + 2.0000 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+002 -7.2083e-002 9.0759e+003 7.7577e+001 1.4167e+002
# -Range: 0-300
SrO
SrO +2.0000 H+ = + 1.0000 H2O + 1.0000 Sr++
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+001 -1.4240e-002 1.4417e+004 2.2725e+001 2.2499e+002
# -Range: 0-300
SrS
SrS +1.0000 H+ = + 1.0000 HS- + 1.0000 Sr++
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+002 -4.4837e-002 7.8429e+003 5.3442e+001 1.2242e+002
# -Range: 0-300
SrSeO4
SrSeO4 = + 1.0000 SeO4-- + 1.0000 Sr++
log_k -4.4000
-delta_H 0 # Not possible to calculate enthalpy of reaction SrSeO4
# Enthalpy of formation: 0 kcal/mol
SrSiO3
SrSiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 SiO2 + 1.0000 Sr++
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+001 6.0821e-003 5.9982e+003 -1.0213e+001 -3.9529e+005
# -Range: 0-300
SrUO4(alpha)
SrUO4 +4.0000 H+ = + 1.0000 Sr++ + 1.0000 UO2++ + 2.0000 H2O
log_k 19.1650
-delta_H -151.984 kJ/mol # Calculated enthalpy of reaction SrUO4(alpha)
# Enthalpy of formation: -1989.6 kJ/mol
-analytic -7.4169e+001 -1.6686e-002 9.8721e+003 2.6345e+001 1.5407e+002
# -Range: 0-300
SrZrO3
SrZrO3 +4.0000 H+ = + 1.0000 H2O + 1.0000 Sr++ + 1.0000 Zr(OH)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+001 -9.5738e-003 -3.5254e+004 1.9459e+001 -5.9865e+002
# -Range: 0-200
Starkeyite
MgSO4:4H2O = + 1.0000 Mg++ + 1.0000 SO4-- + 4.0000 H2O
log_k -0.9999
-delta_H 0 # Not possible to calculate enthalpy of reaction Starkeyite
# Enthalpy of formation: 0 kcal/mol
Stibnite
Sb2S3 +6.0000 H2O = + 2.0000 Sb(OH)3 + 3.0000 H+ + 3.0000 HS-
log_k -53.1100
-delta_H 0 # Not possible to calculate enthalpy of reaction Stibnite
# Enthalpy of formation: 0 kcal/mol
-analytic 2.5223e+001 -5.9186e-002 -2.0860e+004 3.6892e+000 -3.2551e+002
# -Range: 0-300
Stilbite
Ca1.019Na.136K.006Al2.18Si6.82O18:7.33H2O +8.7200 H+ = + 0.0060 K+ + 0.1360 Na+ + 1.0190 Ca++ + 2.1800 Al+++ + 6.8200 SiO2 + 11.6900 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+001 3.0987e-002 2.8013e+004 -1.5802e+001 -3.4491e+006
# -Range: 0-300
Stilleite
ZnSe = + 1.0000 Se-- + 1.0000 Zn++
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+001 -1.7004e-002 -2.4498e+003 2.0712e+001 -3.8209e+001
# -Range: 0-300
Strengite
FePO4:2H2O +1.0000 H+ = + 1.0000 Fe+++ + 1.0000 HPO4-- + 2.0000 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+002 -9.4014e-002 7.6862e+003 1.0846e+002 1.2002e+002
# -Range: 0-300
Strontianite
SrCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Sr++
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+002 -4.4884e-002 3.5729e+003 5.5296e+001 5.5791e+001
# -Range: 0-300
Sulfur from J.Thom
S + H2O = 0.5H+ + 0.25SO4-- + 0.75H2S
log_k -5.20733
-analytic -7.22926e1 -1.87320e-2 7.37125e2 2.83697e1 -1.00039e2
Sylvite
KCl = + 1.0000 Cl- + 1.0000 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+001 -3.3074e-002 8.2819e+002 3.6014e+001 1.2947e+001
# -Range: 0-300
Syngenite
K2Ca(SO4)2:H2O = + 1.0000 Ca++ + 1.0000 H2O + 2.0000 K+ + 2.0000 SO4--
log_k -7.6001
-delta_H 0 # Not possible to calculate enthalpy of reaction Syngenite
# Enthalpy of formation: 0 kcal/mol
Tachyhydrite
Mg2CaCl6:12H2O = + 1.0000 Ca++ + 2.0000 Mg++ + 6.0000 Cl- + 12.0000 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 +6.0000 H+ = + 3.0000 Mg++ + 4.0000 H2O + 4.0000 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+001 2.4724e-002 1.9810e+004 -1.7568e+001 -1.8241e+006
# -Range: 0-300
Tarapacaite
K2CrO4 = + 1.0000 CrO4-- + 2.0000 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+001 -1.0863e-002 -2.7589e+003 -6.4154e+000 -4.6859e+001
# -Range: 0-200
Tb
Tb +3.0000 H+ +0.7500 O2 = + 1.0000 Tb+++ + 1.5000 H2O
log_k 181.4170
-delta_H -1117.97 kJ/mol # Calculated enthalpy of reaction Tb
# Enthalpy of formation: 0 kJ/mol
-analytic -5.2354e+001 -2.6920e-002 5.8391e+004 1.8555e+001 9.1115e+002
# -Range: 0-300
Tb(OH)3
Tb(OH)3 +3.0000 H+ = + 1.0000 Tb+++ + 3.0000 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 +3.0000 H+ = + 1.0000 Tb+++ + 3.0000 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 +3.0000 H+ = + 2.0000 Tb+++ + 3.0000 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 +6.0000 H+ = + 2.0000 Tb+++ + 3.0000 H2O
log_k 47.1000
-delta_H 0 # Not possible to calculate enthalpy of reaction Tb2O3
# Enthalpy of formation: 0 kcal/mol
TbF3:.5H2O
TbF3:.5H2O = + 0.5000 H2O + 1.0000 Tb+++ + 3.0000 F-
log_k -16.7000
-delta_H 0 # Not possible to calculate enthalpy of reaction TbF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
TbPO4:10H2O
TbPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Tb+++ + 10.0000 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 +1.7500 O2 +0.5000 H2O = + 1.0000 H+ + 1.0000 TcO4-
log_k 93.5811
-delta_H -552.116 kJ/mol # Calculated enthalpy of reaction Tc
# Enthalpy of formation: 0 kJ/mol
-analytic 2.2670e+001 -1.2050e-002 3.0174e+004 -8.4053e+000 -5.2577e+005
# -Range: 0-300
Tc(OH)2
Tc(OH)2 +3.0000 H+ +0.2500 O2 = + 1.0000 Tc+++ + 2.5000 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 +3.0000 H+ = + 1.0000 Tc+++ + 3.0000 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 +1.0000 H2O = + 2.0000 H+ + 2.0000 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+001 1.5366e-002 -1.1919e+003 -3.0317e+001 -2.0271e+001
# -Range: 0-200
Tc2S7
Tc2S7 +8.0000 H2O = + 2.0000 TcO4- + 7.0000 HS- + 9.0000 H+
log_k -230.2410
-delta_H 1356.41 kJ/mol # Calculated enthalpy of reaction Tc2S7
# Enthalpy of formation: -615 kJ/mol
-analytic 2.4560e+002 -4.3355e-002 -8.4192e+004 -7.2967e+001 -1.4298e+003
# -Range: 0-200
Tc3O4
Tc3O4 +9.0000 H+ +0.2500 O2 = + 3.0000 Tc+++ + 4.5000 H2O
log_k -19.2271
-delta_H 0 # Not possible to calculate enthalpy of reaction Tc3O4
# Enthalpy of formation: 0 kcal/mol
Tc4O7
Tc4O7 +10.0000 H+ = + 2.0000 Tc+++ + 2.0000 TcO++ + 5.0000 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 +2.0000 H+ = + 1.0000 TcO++ + 3.0000 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 +1.0000 H2O = + 1.0000 TcO4-- + 2.0000 H+
log_k -23.1483
-delta_H 0 # Not possible to calculate enthalpy of reaction TcO3
# Enthalpy of formation: -540 kJ/mol
TcOH
TcOH +3.0000 H+ +0.5000 O2 = + 1.0000 Tc+++ + 2.0000 H2O
log_k 24.9009
-delta_H 0 # Not possible to calculate enthalpy of reaction TcOH
# Enthalpy of formation: 0 kcal/mol
TcS2
TcS2 +1.0000 H2O = + 1.0000 TcO++ + 2.0000 HS-
log_k -65.9742
-delta_H 0 # Not possible to calculate enthalpy of reaction TcS2
# Enthalpy of formation: -224 kJ/mol
TcS3
TcS3 +4.0000 H2O = + 1.0000 TcO4-- + 3.0000 HS- + 5.0000 H+
log_k -119.5008
-delta_H 0 # Not possible to calculate enthalpy of reaction TcS3
# Enthalpy of formation: -276 kJ/mol
Tenorite
CuO +2.0000 H+ = + 1.0000 Cu++ + 1.0000 H2O
log_k 7.6560
-delta_H -64.5047 kJ/mol # Calculated enthalpy of reaction Tenorite
# Enthalpy of formation: -37.2 kcal/mol
-analytic -8.9899e+001 -1.8886e-002 6.0346e+003 3.3517e+001 9.4191e+001
# -Range: 0-300
Tephroite
Mn2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Mn++
log_k 23.0781
-delta_H -160.1 kJ/mol # Calculated enthalpy of reaction Tephroite
# Enthalpy of formation: -1730.47 kJ/mol
-analytic -3.2440e+001 -1.1023e-002 8.8910e+003 1.1691e+001 1.3875e+002
# -Range: 0-300
Th
Th +4.0000 H+ +1.0000 O2 = + 1.0000 Th++++ + 2.0000 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+001 -1.1963e-002 6.8870e+004 4.2068e+000 1.0747e+003
# -Range: 0-300
Th(NO3)4:5H2O
Th(NO3)4:5H2O = + 1.0000 Th++++ + 4.0000 NO3- + 5.0000 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 -1.2480e+002 -2.0405e-002 5.1601e+003 4.6613e+001 8.7669e+001
# -Range: 0-200
Th(OH)4
Th(OH)4 +4.0000 H+ = + 1.0000 Th++++ + 4.0000 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+002 -9.2493e-003 1.2345e+004 4.4990e+001 2.0968e+002
# -Range: 0-200
Th(SO4)2
Th(SO4)2 = + 1.0000 Th++++ + 2.0000 SO4--
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+000 -3.5442e-002 0.0000e+000 0.0000e+000 -1.1540e+005
# -Range: 0-200
Th2S3
Th2S3 +5.0000 H+ +0.5000 O2 = + 1.0000 H2O + 2.0000 Th++++ + 3.0000 HS-
log_k 95.2290
-delta_H -783.243 kJ/mol # Calculated enthalpy of reaction Th2S3
# Enthalpy of formation: -1082.89 kJ/mol
-analytic -3.2969e+002 -1.1090e-001 4.6877e+004 1.2152e+002 7.3157e+002
# -Range: 0-300
Th2Se3
Th2Se3 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 2.0000 Th++++ + 3.0000 Se--
log_k 59.1655
-delta_H 0 # Not possible to calculate enthalpy of reaction Th2Se3
# Enthalpy of formation: -224 kcal/mol
-analytic -1.0083e+001 6.0240e-003 3.4039e+004 -1.8884e+001 5.7804e+002
# -Range: 0-200
Th7S12
Th7S12 +16.0000 H+ +1.0000 O2 = + 2.0000 H2O + 7.0000 Th++++ + 12.0000 HS-
log_k 204.0740
-delta_H -1999.4 kJ/mol # Calculated enthalpy of reaction Th7S12
# Enthalpy of formation: -4136.58 kJ/mol
-analytic -2.1309e+002 -1.4149e-001 9.8550e+004 5.2042e+001 1.6736e+003
# -Range: 0-200
ThBr4
ThBr4 = + 1.0000 Th++++ + 4.0000 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+001 -3.3109e-002 1.0988e+004 -9.2209e+000 1.8657e+002
# -Range: 0-200
ThCl4
ThCl4 = + 1.0000 Th++++ + 4.0000 Cl-
log_k 23.8491
-delta_H -251.094 kJ/mol # Calculated enthalpy of reaction ThCl4
# Enthalpy of formation: -283.519 kcal/mol
-analytic -5.9340e+000 -4.1640e-002 9.8623e+003 3.6804e+000 1.6748e+002
# -Range: 0-200
ThF4
ThF4 = + 1.0000 Th++++ + 4.0000 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+002 -1.4222e-001 9.4201e+003 1.6446e+002 1.4712e+002
# -Range: 0-300
ThF4:2.5H2O
ThF4:2.5H2O = + 1.0000 Th++++ + 2.5000 H2O + 4.0000 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+002 -4.5422e-002 -2.5781e+002 3.8547e+001 -4.3396e+000
# -Range: 0-200
ThI4
ThI4 = + 1.0000 Th++++ + 4.0000 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+000 -4.0379e-002 1.4193e+004 3.3137e+000 2.4102e+002
# -Range: 0-200
ThS
ThS +3.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 HS- + 1.0000 Th++++
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+001 -1.2372e-002 3.3883e+004 0.0000e+000 0.0000e+000
# -Range: 0-200
ThS2
ThS2 +2.0000 H+ = + 1.0000 Th++++ + 2.0000 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+001 -2.3714e-002 8.4673e+003 1.0970e+001 1.4380e+002
# -Range: 0-200
Thenardite
Na2SO4 = + 1.0000 SO4-- + 2.0000 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+002 -7.1613e-002 5.1083e+003 8.7244e+001 7.9773e+001
# -Range: 0-300
Thermonatrite
Na2CO3:H2O +1.0000 H+ = + 1.0000 H2O + 1.0000 HCO3- + 2.0000 Na+
log_k 10.9623
-delta_H -27.5869 kJ/mol # Calculated enthalpy of reaction Thermonatrite
# Enthalpy of formation: -1428.78 kJ/mol
-analytic -1.4030e+002 -3.5263e-002 5.7840e+003 5.7528e+001 9.0295e+001
# -Range: 0-300
Thorianite
ThO2 +4.0000 H+ = + 1.0000 Th++++ + 2.0000 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+001 -2.4645e-003 4.3110e+003 -1.6605e-002 2.1598e+005
# -Range: 0-300
Ti
Ti +2.0000 H2O +1.0000 O2 = + 1.0000 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 +4.0000 H2O +0.5000 O2 = + 2.0000 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 +6.0000 H2O +0.5000 O2 = + 3.0000 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 +5.0000 H2O +2.5000 O2 = + 1.0000 Ti(OH)4 + 2.0000 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 +3.5000 H2O +0.2500 O2 = + 1.0000 Ti(OH)4 + 3.0000 Br- + 3.0000 H+
log_k 47.7190
-delta_H 0 # Not possible to calculate enthalpy of reaction TiBr3
# Enthalpy of formation: -548.378 kJ/mol
TiBr4
TiBr4 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 Br- + 4.0000 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 +3.0000 H2O +2.0000 O2 = + 1.0000 H+ + 1.0000 HCO3- + 1.0000 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 +3.0000 H2O +0.5000 O2 = + 1.0000 Ti(OH)4 + 2.0000 Cl- + 2.0000 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 +3.5000 H2O +0.2500 O2 = + 1.0000 Ti(OH)4 + 3.0000 Cl- + 3.0000 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 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 F- + 4.0000 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 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 H+ + 4.0000 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 +3.5000 H2O +0.2500 O2 = + 1.0000 NH3 + 1.0000 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 +2.0000 H2O +0.5000 O2 = + 1.0000 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 = + 1.0000 Hg++ + 1.0000 Se--
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+001 -1.3891e-002 -1.3223e+004 1.9351e+001 -2.0632e+002
# -Range: 0-300
Titanite
CaTiSiO5 +2.0000 H+ +1.0000 H2O = + 1.0000 Ca++ + 1.0000 SiO2 + 1.0000 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 +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 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+001 -7.8341e-003 9.4594e+003 1.4896e+001 -1.7904e+005
# -Range: 0-300
Tm
Tm +3.0000 H+ +0.7500 O2 = + 1.0000 Tm+++ + 1.5000 H2O
log_k 181.7102
-delta_H -1124.66 kJ/mol # Calculated enthalpy of reaction Tm
# Enthalpy of formation: 0 kJ/mol
-analytic -6.7440e+001 -2.8476e-002 5.9332e+004 2.3715e+001 -5.9611e+003
# -Range: 0-300
Tm(OH)3
Tm(OH)3 +3.0000 H+ = + 1.0000 Tm+++ + 3.0000 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 +3.0000 H+ = + 1.0000 Tm+++ + 3.0000 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 +3.0000 H+ = + 2.0000 Tm+++ + 3.0000 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 +6.0000 H+ = + 2.0000 Tm+++ + 3.0000 H2O
log_k 44.7000
-delta_H 0 # Not possible to calculate enthalpy of reaction Tm2O3
# Enthalpy of formation: 0 kcal/mol
TmF3:.5H2O
TmF3:.5H2O = + 0.5000 H2O + 1.0000 Tm+++ + 3.0000 F-
log_k -16.2000
-delta_H 0 # Not possible to calculate enthalpy of reaction TmF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
TmPO4:10H2O
TmPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Tm+++ + 10.0000 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 +10.0000 H+ = + 5.0000 Ca++ + 6.0000 SiO2 + 10.5000 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+001 3.9150e-002 2.9429e+004 -3.9191e+001 -2.4122e+006
# -Range: 0-300
Tobermorite-14A
Ca5Si6H21O27.5 +10.0000 H+ = + 5.0000 Ca++ + 6.0000 SiO2 + 15.5000 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+002 5.2472e-003 3.9698e+004 6.7797e+001 -2.7532e+006
# -Range: 0-300
Tobermorite-9A
Ca5Si6H6O20 +10.0000 H+ = + 5.0000 Ca++ + 6.0000 SiO2 + 8.0000 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+001 1.1722e-002 3.8954e+004 1.2268e+001 -2.8681e+006
# -Range: 0-300
Todorokite
Mn7O12:3H2O +16.0000 H+ = + 1.0000 MnO4-- + 6.0000 Mn+++ + 11.0000 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 +2.0000 H+ = + 1.0000 Cu++ + 2.0000 HPO4-- + 2.0000 UO2++
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+001 -4.5878e-002 3.5071e+003 1.9682e+001 5.9579e+001
# -Range: 0-200
Tremolite
Ca2Mg5Si8O22(OH)2 +14.0000 H+ = + 2.0000 Ca++ + 5.0000 Mg++ + 8.0000 H2O + 8.0000 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+001 4.6337e-002 3.9465e+004 -5.4414e+001 -3.1913e+006
# -Range: 0-300
Trevorite
NiFe2O4 +8.0000 H+ = + 1.0000 Ni++ + 2.0000 Fe+++ + 4.0000 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+002 -2.9429e-002 1.4518e+004 4.5698e+001 2.4658e+002
# -Range: 0-200
Tridymite
SiO2 = + 1.0000 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+002 6.9315e-002 -1.1358e+004 -1.2219e+002 -1.9299e+002
# -Range: 0-200
Troilite
FeS +1.0000 H+ = + 1.0000 Fe++ + 1.0000 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+002 -5.3170e-002 4.0461e+003 6.4620e+001 6.3183e+001
# -Range: 0-300
Trona-K
K2NaH(CO3)2:2H2O +1.0000 H+ = + 1.0000 Na+ + 2.0000 H2O + 2.0000 HCO3- + 2.0000 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 +4.0000 H+ = + 1.0000 Cu++ + 1.0000 HPO4-- + 2.0000 Pb++ + 6.0000 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 = + 1.0000 Ca++ + 2.0000 UO2++ + 2.0000 VO4---
log_k -53.3757
-delta_H 0 # Not possible to calculate enthalpy of reaction Tyuyamunite
# Enthalpy of formation: -1164.52 kcal/mol
U
U +2.0000 H+ +1.5000 O2 = + 1.0000 H2O + 1.0000 UO2++
log_k 212.7800
-delta_H -1286.64 kJ/mol # Calculated enthalpy of reaction U
# Enthalpy of formation: 0 kJ/mol
-analytic -2.4912e+002 -4.7104e-002 8.1115e+004 8.7008e+001 -1.0158e+006
# -Range: 0-300
U(CO3)2
U(CO3)2 +2.0000 H+ = + 1.0000 U++++ + 2.0000 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+001 -2.5086e-002 1.0177e+004 2.7002e+001 1.7285e+002
# -Range: 0-200
U(HPO4)2:4H2O
U(HPO4)2:4H2O = + 1.0000 U++++ + 2.0000 HPO4-- + 4.0000 H2O
log_k -32.8650
-delta_H 16.1008 kJ/mol # Calculated enthalpy of reaction U(HPO4)2:4H2O
# Enthalpy of formation: -4334.82 kJ/mol
-analytic -3.8694e+002 -1.3874e-001 6.4882e+003 1.5099e+002 1.0136e+002
# -Range: 0-300
U(OH)2SO4
U(OH)2SO4 +2.0000 H+ = + 1.0000 SO4-- + 1.0000 U++++ + 2.0000 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 = + 1.0000 U++++ + 2.0000 SO3--
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+001 -2.9981e-002 -7.0503e+003 -2.5175e+001 -1.1974e+002
# -Range: 0-200
U(SO4)2
U(SO4)2 = + 1.0000 U++++ + 2.0000 SO4--
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+001 -2.8662e-002 7.1066e+002 -1.5190e+001 1.2057e+001
# -Range: 0-200
U(SO4)2:4H2O
U(SO4)2:4H2O = + 1.0000 U++++ + 2.0000 SO4-- + 4.0000 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+001 -2.9094e-002 3.8763e+003 2.1692e+001 6.5849e+001
# -Range: 0-200
U(SO4)2:8H2O
U(SO4)2:8H2O = + 1.0000 U++++ + 2.0000 SO4-- + 8.0000 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+002 -2.9548e-002 6.7423e+003 5.8614e+001 1.1455e+002
# -Range: 0-200
U2C3
U2C3 +4.5000 O2 +3.0000 H+ = + 2.0000 U+++ + 3.0000 HCO3-
log_k 455.3078
-delta_H -2810.1 kJ/mol # Calculated enthalpy of reaction U2C3
# Enthalpy of formation: -183.3 kJ/mol
-analytic -3.8340e+002 -1.5374e-001 1.5922e+005 1.4643e+002 -1.0584e+006
# -Range: 0-300
U2F9
U2F9 +2.0000 H2O = + 1.0000 U++++ + 1.0000 UO2+ + 4.0000 H+ + 9.0000 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+002 -3.0477e-001 2.0493e+004 3.4690e+002 3.2003e+002
# -Range: 0-300
U2O2Cl5
U2O2Cl5 = + 1.0000 U++++ + 1.0000 UO2+ + 5.0000 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+002 -1.6239e-001 2.1694e+004 1.7551e+002 3.3865e+002
# -Range: 0-300
U2O3F6
U2O3F6 +1.0000 H2O = + 2.0000 H+ + 2.0000 UO2++ + 6.0000 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+001 -5.9519e-002 5.7857e+003 1.1372e+001 9.8260e+001
# -Range: 0-200
U2S3
U2S3 +3.0000 H+ = + 2.0000 U+++ + 3.0000 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+002 -1.0983e-001 1.3647e+004 1.2059e+002 2.1304e+002
# -Range: 0-300
U2Se3
U2Se3 +4.5000 O2 = + 2.0000 U+++ + 3.0000 SeO3--
log_k 248.0372
-delta_H -1740.18 kJ/mol # Calculated enthalpy of reaction U2Se3
# Enthalpy of formation: -711 kJ/mol
-analytic 4.9999e+002 -1.6488e-002 6.4991e+004 -1.8795e+002 1.1035e+003
# -Range: 0-200
U3As4
U3As4 +5.2500 O2 +5.0000 H+ +1.5000 H2O = + 3.0000 U+++ + 4.0000 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+002 -2.5804e-001 1.9974e+005 3.3331e+002 -2.4911e+006
# -Range: 0-300
U3O5F8
U3O5F8 +1.0000 H2O = + 2.0000 H+ + 3.0000 UO2++ + 8.0000 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+002 -2.7294e-001 2.9180e+004 3.0599e+002 4.5556e+002
# -Range: 0-300
U3P4
U3P4 +7.2500 O2 +1.5000 H2O +1.0000 H+ = + 3.0000 U+++ + 4.0000 HPO4--
log_k 827.5586
-delta_H -5275.9 kJ/mol # Calculated enthalpy of reaction U3P4
# Enthalpy of formation: -843 kJ/mol
-analytic -2.7243e+003 -6.2927e-001 4.0130e+005 1.0021e+003 -7.6720e+006
# -Range: 0-300
U3S5
U3S5 +5.0000 H+ = + 1.0000 U++++ + 2.0000 U+++ + 5.0000 HS-
log_k -0.3680
-delta_H -218.942 kJ/mol # Calculated enthalpy of reaction U3S5
# Enthalpy of formation: -1431 kJ/mol
-analytic -1.1011e+002 -6.7959e-002 1.0369e+004 3.8481e+001 1.7611e+002
# -Range: 0-200
U3Sb4
U3Sb4 +9.0000 H+ +5.2500 O2 +1.5000 H2O = + 3.0000 U+++ + 4.0000 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 +6.2500 O2 +1.0000 H+ = + 0.5000 H2O + 3.0000 U+++ + 4.0000 SeO3--
log_k 375.2823
-delta_H -2588.16 kJ/mol # Calculated enthalpy of reaction U3Se4
# Enthalpy of formation: -983 kJ/mol
-analytic 6.7219e+002 -2.2708e-002 1.0025e+005 -2.5317e+002 1.7021e+003
# -Range: 0-200
U3Se5
U3Se5 +7.2500 O2 +0.5000 H2O = + 1.0000 H+ + 3.0000 U+++ + 5.0000 SeO3--
log_k 376.5747
-delta_H -2652.38 kJ/mol # Calculated enthalpy of reaction U3Se5
# Enthalpy of formation: -1130 kJ/mol
-analytic 8.3306e+002 -2.6526e-002 9.5737e+004 -3.1109e+002 1.6255e+003
# -Range: 0-200
U4F17
U4F17 +2.0000 H2O = + 1.0000 UO2+ + 3.0000 U++++ + 4.0000 H+ + 17.0000 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+003 -5.9186e-001 4.0017e+004 6.8046e+002 6.2494e+002
# -Range: 0-300
U5O12Cl
U5O12Cl +4.0000 H+ = + 1.0000 Cl- + 2.0000 H2O + 5.0000 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+001 2.9180e-002 4.6804e+003 1.2371e+001 7.9503e+001
# -Range: 0-200
UAs
UAs +2.0000 H+ +1.5000 O2 = + 1.0000 H2AsO3- + 1.0000 U+++
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+001 -4.2992e-002 4.8480e+004 1.9964e+001 7.5650e+002
# -Range: 0-300
UAs2
UAs2 +2.2500 O2 +1.5000 H2O +1.0000 H+ = + 1.0000 U+++ + 2.0000 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+001 -7.5252e-002 6.1445e+004 3.7485e+001 9.5881e+002
# -Range: 0-300
UBr2Cl
UBr2Cl = + 1.0000 Cl- + 1.0000 U+++ + 2.0000 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+000 -3.2187e-002 5.2314e+003 2.7418e+000 8.8836e+001
# -Range: 0-200
UBr2Cl2
UBr2Cl2 = + 1.0000 U++++ + 2.0000 Br- + 2.0000 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+000 -3.8781e-002 1.0125e+004 0.0000e+000 0.0000e+000
# -Range: 0-200
UBr3
UBr3 = + 1.0000 U+++ + 3.0000 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+002 -9.8651e-002 1.2538e+004 1.0151e+002 1.9572e+002
# -Range: 0-300
UBr3Cl
UBr3Cl = + 1.0000 Cl- + 1.0000 U++++ + 3.0000 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+001 -3.7109e-002 1.0473e+004 -2.4905e+000 1.7784e+002
# -Range: 0-200
UBr4
UBr4 = + 1.0000 U++++ + 4.0000 Br-
log_k 31.2904
-delta_H -275.113 kJ/mol # Calculated enthalpy of reaction UBr4
# Enthalpy of formation: -802.1 kJ/mol
-analytic -3.3800e+002 -1.2940e-001 2.0674e+004 1.3678e+002 3.2270e+002
# -Range: 0-300
UBr5
UBr5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 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+002 -1.4356e-001 1.8709e+004 1.4117e+002 2.9204e+002
# -Range: 0-300
UBrCl2
UBrCl2 = + 1.0000 Br- + 1.0000 U+++ + 2.0000 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+000 -3.4256e-002 4.6251e+003 5.8875e+000 7.8542e+001
# -Range: 0-200
UBrCl3
UBrCl3 = + 1.0000 Br- + 1.0000 U++++ + 3.0000 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+000 -4.1166e-002 9.6664e+003 3.6579e+000 1.6415e+002
# -Range: 0-200
UC
UC +2.0000 H+ +1.7500 O2 = + 0.5000 H2O + 1.0000 HCO3- + 1.0000 U+++
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+001 -4.4600e-002 6.1417e+004 1.9566e+001 9.5836e+002
# -Range: 0-300
UC1.94(alpha)
UC1.94 +2.6900 O2 +1.0600 H+ +0.4400 H2O = + 1.0000 U+++ + 1.9400 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+002 -1.4610e-001 1.0917e+005 2.1638e+002 -1.6852e+006
# -Range: 0-300
UCl2F2
UCl2F2 = + 1.0000 U++++ + 2.0000 Cl- + 2.0000 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+002 -1.3879e-001 1.4710e+004 1.5562e+002 2.2965e+002
# -Range: 0-300
UCl2I2
UCl2I2 = + 1.0000 U++++ + 2.0000 Cl- + 2.0000 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+001 -4.3178e-002 1.1219e+004 7.4562e+000 1.9052e+002
# -Range: 0-200
UCl3
UCl3 = + 1.0000 U+++ + 3.0000 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+002 -1.0241e-001 1.1629e+004 1.0846e+002 1.8155e+002
# -Range: 0-300
UCl3F
UCl3F = + 1.0000 F- + 1.0000 U++++ + 3.0000 Cl-
log_k 10.3200
-delta_H -184.787 kJ/mol # Calculated enthalpy of reaction UCl3F
# Enthalpy of formation: -1243 kJ/mol
-analytic -3.7971e+002 -1.3681e-001 1.7127e+004 1.5086e+002 2.6736e+002
# -Range: 0-300
UCl3I
UCl3I = + 1.0000 I- + 1.0000 U++++ + 3.0000 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+001 -4.3214e-002 1.0167e+004 7.1426e+000 1.7265e+002
# -Range: 0-200
UCl4
UCl4 = + 1.0000 U++++ + 4.0000 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+002 -1.3618e-001 1.9685e+004 1.4763e+002 3.0727e+002
# -Range: 0-300
UCl5
UCl5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 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+002 -1.5133e-001 1.9617e+004 1.5376e+002 3.0622e+002
# -Range: 0-300
UCl6
UCl6 +2.0000 H2O = + 1.0000 UO2++ + 4.0000 H+ + 6.0000 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+002 -1.9203e-001 2.8029e+004 1.9262e+002 4.3750e+002
# -Range: 0-300
UClF3
UClF3 = + 1.0000 Cl- + 1.0000 U++++ + 3.0000 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+002 -1.4077e-001 1.2237e+004 1.6036e+002 1.9107e+002
# -Range: 0-300
UClI3
UClI3 = + 1.0000 Cl- + 1.0000 U++++ + 3.0000 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+001 -4.3208e-002 1.2045e+004 7.8829e+000 2.0455e+002
# -Range: 0-200
UF3
UF3 = + 1.0000 U+++ + 3.0000 F-
log_k -19.4125
-delta_H 6.2572 kJ/mol # Calculated enthalpy of reaction UF3
# Enthalpy of formation: -1501.4 kJ/mol
-analytic -3.1530e+002 -1.0945e-001 6.1335e+003 1.2443e+002 9.5799e+001
# -Range: 0-300
UF4
UF4 = + 1.0000 U++++ + 4.0000 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+002 -1.4147e-001 9.6621e+003 1.6352e+002 1.5089e+002
# -Range: 0-300
UF4:2.5H2O
UF4:2.5H2O = + 1.0000 U++++ + 2.5000 H2O + 4.0000 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+002 -1.4305e-001 8.2922e+003 1.7118e+002 1.2952e+002
# -Range: 0-300
UF5(alpha)
UF5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 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+002 -1.6121e-001 1.1997e+004 1.8030e+002 1.8733e+002
# -Range: 0-300
UF5(beta)
UF5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 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 -4.5020e+002 -1.6121e-001 1.1584e+004 1.8030e+002 1.8089e+002
# -Range: 0-300
UF6
UF6 +2.0000 H2O = + 1.0000 UO2++ + 4.0000 H+ + 6.0000 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+002 -2.1223e-001 2.5296e+004 2.3440e+002 3.9489e+002
# -Range: 0-300
UH3(beta)
UH3 +3.0000 H+ +1.5000 O2 = + 1.0000 U+++ + 3.0000 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 5.2870e+001 4.2151e-003 6.0167e+004 -2.2701e+001 1.0217e+003
# -Range: 0-200
UI3
UI3 = + 1.0000 U+++ + 3.0000 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+002 -9.9867e-002 1.4579e+004 1.0301e+002 2.2757e+002
# -Range: 0-300
UI4
UI4 = + 1.0000 U++++ + 4.0000 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+002 -1.3227e-001 2.2320e+004 1.4145e+002 3.4839e+002
# -Range: 0-300
UN
UN +3.0000 H+ = + 1.0000 NH3 + 1.0000 U+++
log_k 41.7130
-delta_H -280.437 kJ/mol # Calculated enthalpy of reaction UN
# Enthalpy of formation: -290 kJ/mol
-analytic -1.6393e+002 -1.1679e-003 2.8845e+003 6.5637e+001 3.0122e+006
# -Range: 0-300
UN1.59(alpha)
UN1.59 +1.8850 H2O +1.0000 H+ +0.0575 O2 = + 1.0000 UO2+ + 1.5900 NH3
log_k 38.3930
-delta_H -235.75 kJ/mol # Calculated enthalpy of reaction UN1.59(alpha)
# Enthalpy of formation: -379.2 kJ/mol
-analytic 1.8304e+001 1.1109e-002 1.2064e+004 -9.5741e+000 2.0485e+002
# -Range: 0-200
UN1.73(alpha)
UN1.73 +2.0950 H2O +1.0000 H+ = + 0.0475 O2 + 1.0000 UO2+ + 1.7300 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+001 1.0398e-002 8.9348e+003 -6.3817e+000 1.5172e+002
# -Range: 0-200
UO2(AsO3)2
UO2(AsO3)2 +2.0000 H2O = + 1.0000 UO2++ + 2.0000 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 -1.6050e+002 -6.6472e-002 8.2129e+003 6.4533e+001 1.2820e+002
# -Range: 0-300
UO2(IO3)2
UO2(IO3)2 = + 1.0000 UO2++ + 2.0000 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+001 -1.4267e-002 -1.5055e+001 9.7226e+000 -2.4640e-001
# -Range: 0-200
UO2(NO3)2
UO2(NO3)2 = + 1.0000 UO2++ + 2.0000 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+001 -1.1261e-002 3.9895e+003 5.7166e+000 6.7751e+001
# -Range: 0-200
UO2(NO3)2:2H2O
UO2(NO3)2:2H2O = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 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+002 -5.2130e-002 4.3758e+003 5.8868e+001 6.8322e+001
# -Range: 0-300
UO2(NO3)2:3H2O
UO2(NO3)2:3H2O = + 1.0000 UO2++ + 2.0000 NO3- + 3.0000 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+002 -5.2234e-002 4.0783e+003 6.3024e+001 6.3682e+001
# -Range: 0-300
UO2(NO3)2:6H2O
UO2(NO3)2:6H2O = + 1.0000 UO2++ + 2.0000 NO3- + 6.0000 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+002 -4.3682e-002 2.7842e+003 5.9070e+001 4.3486e+001
# -Range: 0-300
UO2(NO3)2:H2O
UO2(NO3)2:H2O = + 1.0000 H2O + 1.0000 UO2++ + 2.0000 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+001 -1.1342e-002 3.7548e+003 1.4899e+001 6.3776e+001
# -Range: 0-200
UO2(OH)2(beta)
UO2(OH)2 +2.0000 H+ = + 1.0000 UO2++ + 2.0000 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+001 -1.6806e-003 3.4226e+003 4.6260e+000 5.3412e+001
# -Range: 0-300
UO2(PO3)2
UO2(PO3)2 +2.0000 H2O = + 1.0000 UO2++ + 2.0000 H+ + 2.0000 HPO4--
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+002 -1.3747e-001 8.0652e+003 1.3237e+002 1.2595e+002
# -Range: 0-300
UO2(am)
UO2 +4.0000 H+ = + 1.0000 U++++ + 2.0000 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 +2.5000 H+ = + 0.5000 U++++ + 0.5000 UO2+ + 1.2500 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+002 -4.1793e-002 7.3391e+003 7.0213e+001 1.1457e+002
# -Range: 0-300
UO2.25(beta)
UO2.25 +2.5000 H+ = + 0.5000 U++++ + 0.5000 UO2+ + 1.2500 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+001 -2.4013e-003 2.9632e+003 9.1625e+000 4.6249e+001
# -Range: 0-300
UO2.3333(beta)
# UO2.3333 +8.0000 H+ = + 0.3333 O2 + 2.0000 U++++ + 4.0000 H2O
(UO2.3333)2 + 8.0000 H+ = 0.3333 O2 + 2.0000 U++++ + 4.0000 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 -7.4790e+000 -6.8382e-004 -2.7277e+003 -7.2107e+000 6.1873e+005
# -Range: 0-300
UO2.6667
# UO2.6667 +8.0000 H+ = + 0.6667 O2 + 2.0000 U++++ + 4.0000 H2O
(UO2.6667)2 +8.0000 H+ = + 0.6667 O2 + 2.0000 U++++ + 4.0000 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+002 2.0118e-002 -1.4968e+004 -5.3552e+001 1.0813e+006
# -Range: 0-300
UO2Br2
UO2Br2 = + 1.0000 UO2++ + 2.0000 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+002 -6.2715e-002 9.0200e+003 6.2108e+001 1.4079e+002
# -Range: 0-300
UO2Br2:3H2O
UO2Br2:3H2O = + 1.0000 UO2++ + 2.0000 Br- + 3.0000 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+001 -1.6834e-002 5.1409e+003 2.6546e+001 8.7324e+001
# -Range: 0-200
UO2Br2:H2O
UO2Br2:H2O = + 1.0000 H2O + 1.0000 UO2++ + 2.0000 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+001 -1.6603e-002 4.3544e+003 8.0748e+000 7.3950e+001
# -Range: 0-200
UO2BrOH:2H2O
UO2BrOH:2H2O +1.0000 H+ = + 1.0000 Br- + 1.0000 UO2++ + 3.0000 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+001 -1.0024e-002 5.0411e+003 2.9781e+001 8.5633e+001
# -Range: 0-200
UO2CO3
UO2CO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 UO2++
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+001 -1.1541e-002 1.9475e+003 1.5215e+001 3.3086e+001
# -Range: 0-200
UO2Cl
UO2Cl = + 1.0000 Cl- + 1.0000 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+001 -2.5940e-002 2.5753e+003 2.9038e+001 4.0207e+001
# -Range: 0-300
UO2Cl2
UO2Cl2 = + 1.0000 UO2++ + 2.0000 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+002 -6.6249e-002 8.6920e+003 6.8055e+001 1.3568e+002
# -Range: 0-300
UO2Cl2:3H2O
UO2Cl2:3H2O = + 1.0000 UO2++ + 2.0000 Cl- + 3.0000 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+001 -2.0867e-002 4.7594e+003 3.2654e+001 8.0850e+001
# -Range: 0-200
UO2Cl2:H2O
UO2Cl2:H2O = + 1.0000 H2O + 1.0000 UO2++ + 2.0000 Cl-
log_k 8.2880
-delta_H -79.1977 kJ/mol # Calculated enthalpy of reaction UO2Cl2:H2O
# Enthalpy of formation: -1559.8 kJ/mol
-analytic -3.4458e+001 -2.0630e-002 4.1231e+003 1.4170e+001 7.0029e+001
# -Range: 0-200
UO2ClOH:2H2O
UO2ClOH:2H2O +1.0000 H+ = + 1.0000 Cl- + 1.0000 UO2++ + 3.0000 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+001 -1.2041e-002 4.9131e+003 3.2835e+001 8.3462e+001
# -Range: 0-200
UO2F2
UO2F2 = + 1.0000 UO2++ + 2.0000 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+002 -7.1028e-002 5.9356e+003 7.9627e+001 9.2679e+001
# -Range: 0-300
UO2F2:3H2O
UO2F2:3H2O = + 1.0000 UO2++ + 2.0000 F- + 3.0000 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+002 -2.1223e-002 3.4855e+003 3.6420e+001 5.9224e+001
# -Range: 0-200
UO2FOH
UO2FOH +1.0000 H+ = + 1.0000 F- + 1.0000 H2O + 1.0000 UO2++
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+001 -1.1984e-002 3.2086e+003 1.6244e+001 5.4503e+001
# -Range: 0-200
UO2FOH:2H2O
UO2FOH:2H2O +1.0000 H+ = + 1.0000 F- + 1.0000 UO2++ + 3.0000 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+002 -1.2203e-002 4.5446e+003 3.4690e+001 7.7208e+001
# -Range: 0-200
UO2FOH:H2O
UO2FOH:H2O +1.0000 H+ = + 1.0000 F- + 1.0000 UO2++ + 2.0000 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+001 -1.2086e-002 3.8625e+003 2.5456e+001 6.5615e+001
# -Range: 0-200
UO2HPO4
UO2HPO4 = + 1.0000 HPO4-- + 1.0000 UO2++
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 = + 1.0000 HPO4-- + 1.0000 UO2++ + 4.0000 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+002 -1.9418e-002 2.7547e+003 4.0963e+001 4.6818e+001
# -Range: 0-200
UO2SO3
UO2SO3 = + 1.0000 SO3-- + 1.0000 UO2++
log_k -15.9812
-delta_H 6.4504 kJ/mol # Calculated enthalpy of reaction UO2SO3
# Enthalpy of formation: -1661 kJ/mol
-analytic 2.5751e+001 -1.3871e-002 -3.0305e+003 -1.1090e+001 -5.1470e+001
# -Range: 0-200
UO2SO4
UO2SO4 = + 1.0000 SO4-- + 1.0000 UO2++
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+002 -6.5310e-002 6.7411e+003 6.2867e+001 1.0523e+002
# -Range: 0-300
UO2SO4:2.5H2O
UO2SO4:2.5H2O = + 1.0000 SO4-- + 1.0000 UO2++ + 2.5000 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+001 -1.3445e-002 2.8658e+003 1.6894e+001 4.8683e+001
# -Range: 0-200
UO2SO4:3.5H2O
UO2SO4:3.5H2O = + 1.0000 SO4-- + 1.0000 UO2++ + 3.5000 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 -7.4180e+001 -1.3565e-002 3.5963e+003 2.6136e+001 6.1096e+001
# -Range: 0-200
UO2SO4:3H2O
UO2SO4:3H2O = + 1.0000 SO4-- + 1.0000 UO2++ + 3.0000 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+001 -1.0321e-002 3.0505e+003 1.6799e+001 5.1818e+001
# -Range: 0-200
UO2SO4:H2O
UO2SO4:H2O = + 1.0000 H2O + 1.0000 SO4-- + 1.0000 UO2++
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+002 -6.9827e-002 5.5636e+003 7.4717e+001 8.6870e+001
# -Range: 0-300
UO3(alpha)
UO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 UO2++
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+001 -1.9063e-003 4.7742e+003 2.9478e+000 7.4501e+001
# -Range: 0-300
UO3(beta)
UO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 UO2++
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+001 -1.7800e-003 4.5621e+003 2.3593e+000 7.1191e+001
# -Range: 0-300
UO3(gamma)
UO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 UO2++
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+001 -2.3560e-003 4.3124e+003 2.2305e+000 6.7294e+001
# -Range: 0-300
UO3:.9H2O(alpha)
UO3:.9H2O +2.0000 H+ = + 1.0000 UO2++ + 1.9000 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+001 -3.0624e-003 5.5984e+003 2.2809e+001 9.5092e+001
# -Range: 0-200
UO3:2H2O
UO3:2H2O +2.0000 H+ = + 1.0000 UO2++ + 3.0000 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 -5.9530e+001 -9.8107e-003 4.4975e+003 2.1098e+001 7.0196e+001
# -Range: 0-300
UOBr2
UOBr2 +2.0000 H+ = + 1.0000 H2O + 1.0000 U++++ + 2.0000 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+002 -7.0500e-002 1.1746e+004 7.9629e+001 1.8334e+002
# -Range: 0-300
UOBr3
UOBr3 +1.0000 H2O = + 1.0000 UO2+ + 2.0000 H+ + 3.0000 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+002 -8.4632e-002 1.1381e+004 8.5102e+001 1.7765e+002
# -Range: 0-300
UOCl
UOCl +2.0000 H+ = + 1.0000 Cl- + 1.0000 H2O + 1.0000 U+++
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+002 -4.0791e-002 8.0834e+003 4.6600e+001 1.2617e+002
# -Range: 0-300
UOCl2
UOCl2 +2.0000 H+ = + 1.0000 H2O + 1.0000 U++++ + 2.0000 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+002 -7.3329e-002 1.1858e+004 8.4250e+001 1.8509e+002
# -Range: 0-300
UOCl3
UOCl3 +1.0000 H2O = + 1.0000 UO2+ + 2.0000 H+ + 3.0000 Cl-
log_k 12.6370
-delta_H -100.528 kJ/mol # Calculated enthalpy of reaction UOCl3
# Enthalpy of formation: -1140 kJ/mol
-analytic -2.1934e+002 -8.8639e-002 9.3198e+003 9.1775e+001 1.4549e+002
# -Range: 0-300
UOF2
UOF2 +2.0000 H+ = + 1.0000 H2O + 1.0000 U++++ + 2.0000 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+001 -2.6188e-002 2.5576e+003 2.0428e+001 4.3454e+001
# -Range: 0-200
UOF2:H2O
UOF2:H2O +2.0000 H+ = + 1.0000 U++++ + 2.0000 F- + 2.0000 H2O
log_k -18.7019
-delta_H -31.5719 kJ/mol # Calculated enthalpy of reaction UOF2:H2O
# Enthalpy of formation: -1802 kJ/mol
-analytic -9.5010e+001 -2.6355e-002 3.1474e+003 2.9746e+001 5.3480e+001
# -Range: 0-200
UOF4
UOF4 +1.0000 H2O = + 1.0000 UO2++ + 2.0000 H+ + 4.0000 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+000 -3.8581e-002 4.6903e+003 2.5464e+000 7.9649e+001
# -Range: 0-200
UOFOH
UOFOH +3.0000 H+ = + 1.0000 F- + 1.0000 U++++ + 2.0000 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+001 -1.7293e-002 5.8150e+003 2.7940e+001 9.8779e+001
# -Range: 0-200
UOFOH:.5H2O
UOFOH:.5H2O +1.0000 H+ +0.5000 O2 = + 1.0000 F- + 1.0000 UO2++ + 1.5000 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+001 -7.7180e-003 1.0019e+004 1.7305e+000 1.7014e+002
# -Range: 0-200
UP
UP +2.0000 O2 +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 U+++
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+002 -9.0873e-002 8.3804e+004 8.1649e+001 -5.4044e+005
# -Range: 0-300
UP2
UP2 +3.2500 O2 +1.5000 H2O = + 1.0000 H+ + 1.0000 U+++ + 2.0000 HPO4--
log_k 360.5796
-delta_H -2301.07 kJ/mol # Calculated enthalpy of reaction UP2
# Enthalpy of formation: -304 kJ/mol
-analytic -2.4721e+002 -1.5005e-001 1.2243e+005 9.9521e+001 -3.9706e+005
# -Range: 0-300
UP2O7
UP2O7 +1.0000 H2O = + 1.0000 U++++ + 2.0000 HPO4--
log_k -32.9922
-delta_H -37.5256 kJ/mol # Calculated enthalpy of reaction UP2O7
# Enthalpy of formation: -2852 kJ/mol
-analytic -3.5910e+002 -1.3819e-001 7.6509e+003 1.3804e+002 1.1949e+002
# -Range: 0-300
UP2O7:20H2O
UP2O7:20H2O = + 1.0000 U++++ + 2.0000 HPO4-- + 19.0000 H2O
log_k -28.6300
-delta_H 0 # Not possible to calculate enthalpy of reaction UP2O7:20H2O
# Enthalpy of formation: 0 kcal/mol
UPO5
UPO5 +1.0000 H2O = + 1.0000 H+ + 1.0000 HPO4-- + 1.0000 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+002 -6.0911e-002 7.3255e+002 6.0317e+001 1.1476e+001
# -Range: 0-300
US
US +2.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 HS- + 1.0000 U+++
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+002 -4.0538e-002 1.8749e+004 4.2147e+001 2.9259e+002
# -Range: 0-300
US1.9
US1.9 +1.9000 H+ = + 0.2000 U+++ + 0.8000 U++++ + 1.9000 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+002 -6.8390e-002 8.8888e+003 7.8243e+001 1.3876e+002
# -Range: 0-300
US2
US2 +2.0000 H+ = + 1.0000 U++++ + 2.0000 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+002 -7.1522e-002 9.7782e+003 8.2586e+001 1.5264e+002
# -Range: 0-300
US3
US3 +2.0000 H2O = + 1.0000 H+ + 1.0000 UO2++ + 3.0000 HS-
log_k -16.6370
-delta_H 43.9515 kJ/mol # Calculated enthalpy of reaction US3
# Enthalpy of formation: -539.6 kJ/mol
-analytic -2.3635e+002 -9.5877e-002 1.9170e+003 9.7726e+001 2.9982e+001
# -Range: 0-300
USb
USb +3.0000 H+ +1.5000 O2 = + 1.0000 Sb(OH)3 + 1.0000 U+++
log_k 176.0723
-delta_H -1106.19 kJ/mol # Calculated enthalpy of reaction USb
# Enthalpy of formation: -138.5 kJ/mol
USb2
USb2 +3.0000 H+ +2.2500 O2 +1.5000 H2O = + 1.0000 U+++ + 2.0000 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
1.0USe +1.7500 O2 +1.0000 H+ = + 0.5000 H2O + 1.0000 SeO3-- + 1.0000 U+++
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+002 -7.6251e-002 4.3230e+004 4.5189e+001 6.7460e+002
# -Range: 0-300
USe2(alpha)
USe2 +2.7500 O2 +0.5000 H2O = + 1.0000 H+ + 1.0000 U+++ + 2.0000 SeO3--
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+002 -1.4191e-001 4.6114e+004 8.7906e+001 7.1963e+002
# -Range: 0-300
USe2(beta)
USe2 +2.7500 O2 +0.5000 H2O = + 1.0000 H+ + 1.0000 U+++ + 2.0000 SeO3--
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+002 -1.4147e-001 4.6082e+004 8.7349e+001 7.1913e+002
# -Range: 0-300
USe3
USe3 +3.7500 O2 +1.5000 H2O = + 1.0000 U+++ + 3.0000 H+ + 3.0000 SeO3--
log_k 147.2214
-delta_H -1090.42 kJ/mol # Calculated enthalpy of reaction USe3
# Enthalpy of formation: -452 kJ/mol
-analytic 4.9201e+002 -1.3720e-002 3.2168e+004 -1.8131e+002 5.4609e+002
# -Range: 0-200
Umangite
Cu3Se2 = + 1.0000 Cu++ + 2.0000 Cu+ + 2.0000 Se--
log_k -93.8412
-delta_H 0 # Not possible to calculate enthalpy of reaction Umangite
# Enthalpy of formation: -25 kcal/mol
-analytic -7.2308e+001 -2.2566e-003 -2.0738e+004 1.9677e+001 -3.5214e+002
# -Range: 0-200
Uraninite
UO2 +4.0000 H+ = + 1.0000 U++++ + 2.0000 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+001 -1.0558e-002 5.9677e+003 2.1853e+001 9.3142e+001
# -Range: 0-300
Uranocircite
Ba(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Ba++ + 2.0000 HPO4-- + 2.0000 UO2++
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+001 -4.3076e-002 1.2427e+003 1.0384e+001 2.1115e+001
# -Range: 0-200
Uranophane
Ca(UO2)2(SiO3)2(OH)2 +6.0000 H+ = + 1.0000 Ca++ + 2.0000 SiO2 + 2.0000 UO2++ + 4.0000 H2O
log_k 17.2850
-delta_H 0 # Not possible to calculate enthalpy of reaction Uranophane
# Enthalpy of formation: 0 kcal/mol
V
V +3.0000 H+ +0.7500 O2 = + 1.0000 V+++ + 1.5000 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+002 -2.1334e-002 4.0364e+004 3.5012e+001 -3.2290e+005
# -Range: 0-300
V2O4
V2O4 +4.0000 H+ = + 2.0000 H2O + 2.0000 VO++
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+002 -3.7423e-002 9.7046e+003 5.3125e+001 1.5147e+002
# -Range: 0-300
V3O5
V3O5 +8.0000 H+ = + 1.0000 VO++ + 2.0000 V+++ + 4.0000 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+002 -2.1959e-002 1.6814e+004 5.6618e+001 2.8559e+002
# -Range: 0-200
V4O7
V4O7 +10.0000 H+ = + 2.0000 V+++ + 2.0000 VO++ + 5.0000 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+002 -3.0261e-002 2.1667e+004 7.3214e+001 3.6800e+002
# -Range: 0-200
Vaesite
NiS2 +1.0000 H2O = + 0.2500 H+ + 0.2500 SO4-- + 1.0000 Ni++ + 1.7500 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+001 -2.2673e-002 -8.2514e+003 -3.4392e+000 -1.4013e+002
# -Range: 0-200
Vivianite
Fe3(PO4)2:8H2O +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Fe++ + 8.0000 H2O
log_k -4.7237
-delta_H 0 # Not possible to calculate enthalpy of reaction Vivianite
# Enthalpy of formation: 0 kcal/mol
W
W +1.5000 O2 +1.0000 H2O = + 1.0000 WO4-- + 2.0000 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+002 -6.9470e-002 4.0134e+004 4.5993e+001 6.2629e+002
# -Range: 0-300
Wairakite
CaAl2Si4O10(OH)4 +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 SiO2 + 6.0000 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+001 3.2944e-003 2.2782e+004 -9.0981e+000 -1.6934e+006
# -Range: 0-300
Weeksite
K2(UO2)2(Si2O5)3:4H2O +6.0000 H+ = + 2.0000 K+ + 2.0000 UO2++ + 6.0000 SiO2 + 7.0000 H2O
log_k 15.3750
-delta_H 0 # Not possible to calculate enthalpy of reaction Weeksite
# Enthalpy of formation: 0 kcal/mol
Whitlockite
Ca3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Ca++
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+002 -1.8842e-001 1.7176e+004 2.1406e+002 2.6817e+002
# -Range: 0-300
Wilkmanite
Ni3Se4 +1.0000 H2O = + 0.5000 O2 + 2.0000 H+ + 3.0000 Ni++ + 4.0000 Se--
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+002 -4.9968e-002 -2.8208e+004 6.2863e+001 -1.1322e+005
# -Range: 0-300
Witherite
BaCO3 +1.0000 H+ = + 1.0000 Ba++ + 1.0000 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+002 -4.4315e-002 2.0227e+003 5.2239e+001 3.1600e+001
# -Range: 0-300
Wollastonite
CaSiO3 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O + 1.0000 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+001 6.7466e-003 5.1749e+003 -1.3209e+001 -3.4579e+005
# -Range: 0-300
Wurtzite
ZnS +1.0000 H+ = + 1.0000 HS- + 1.0000 Zn++
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+002 -4.8874e-002 2.4551e+003 6.1278e+001 3.8355e+001
# -Range: 0-300
Wustite
Fe.947O +2.0000 H+ = + 0.1060 Fe+++ + 0.8410 Fe++ + 1.0000 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+001 -1.8433e-002 7.3823e+003 2.8312e+001 1.1522e+002
# -Range: 0-300
Xonotlite
Ca6Si6O17(OH)2 +12.0000 H+ = + 6.0000 Ca++ + 6.0000 SiO2 + 7.0000 H2O
log_k 91.8267
-delta_H -495.457 kJ/mol # Calculated enthalpy of reaction Xonotlite
# Enthalpy of formation: -2397.25 kcal/mol
-analytic 1.6080e+003 3.7309e-001 -2.2548e+004 -6.2716e+002 -3.8346e+002
# -Range: 0-200
Y
Y +3.0000 H+ +0.7500 O2 = + 1.0000 Y+++ + 1.5000 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+001 -2.8062e-002 5.9667e+004 2.2394e+001 9.3107e+002
# -Range: 0-300
Yb
Yb +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Yb++
log_k 137.1930
-delta_H -810.303 kJ/mol # Calculated enthalpy of reaction Yb
# Enthalpy of formation: 0 kJ/mol
-analytic -7.4712e+001 -2.0993e-002 4.4129e+004 2.8341e+001 6.8862e+002
# -Range: 0-300
Yb(OH)3
Yb(OH)3 +3.0000 H+ = + 1.0000 Yb+++ + 3.0000 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 +3.0000 H+ = + 1.0000 Yb+++ + 3.0000 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 +3.0000 H+ = + 2.0000 Yb+++ + 3.0000 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 +6.0000 H+ = + 2.0000 Yb+++ + 3.0000 H2O
log_k 47.8000
-delta_H 0 # Not possible to calculate enthalpy of reaction Yb2O3
# Enthalpy of formation: 0 kcal/mol
YbF3:.5H2O
YbF3:.5H2O = + 0.5000 H2O + 1.0000 Yb+++ + 3.0000 F-
log_k -16.0000
-delta_H 0 # Not possible to calculate enthalpy of reaction YbF3:.5H2O
# Enthalpy of formation: 0 kcal/mol
YbPO4:10H2O
YbPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Yb+++ + 10.0000 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 +2.0000 H+ = + 1.0000 H2O + 1.0000 Zn++
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+001 -1.9324e-002 7.1034e+003 3.2256e+001 1.1087e+002
# -Range: 0-300
Zircon
ZrSiO4 +2.0000 H+ = + 1.0000 SiO2 + 1.0000 Zr(OH)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+000 6.5416e-003 5.0759e+002 -8.4547e+000 -6.6155e+005
# -Range: 0-300
Zn
Zn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Zn++
log_k 68.8035
-delta_H -433.157 kJ/mol # Calculated enthalpy of reaction Zn
# Enthalpy of formation: 0 kJ/mol
-analytic -6.4131e+001 -2.0009e-002 2.3921e+004 2.3702e+001 3.7329e+002
# -Range: 0-300
Zn(BO2)2
Zn(BO2)2 +2.0000 H+ +2.0000 H2O = + 1.0000 Zn++ + 2.0000 B(OH)3
log_k 8.3130
-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 = + 1.0000 Zn++ + 2.0000 ClO4- + 6.0000 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+002 -9.1383e-003 7.4822e+003 6.6751e+001 1.2712e+002
# -Range: 0-200
Zn(IO3)2
Zn(IO3)2 = + 1.0000 Zn++ + 2.0000 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 = + 1.0000 Zn++ + 2.0000 NO3- + 6.0000 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+002 -1.6875e-002 5.6291e+003 6.5094e+001 9.5649e+001
# -Range: 0-200
Zn(OH)2(beta)
Zn(OH)2 +2.0000 H+ = + 1.0000 Zn++ + 2.0000 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 -7.7810e+001 -7.8548e-003 7.1994e+003 2.7455e+001 1.2228e+002
# -Range: 0-200
Zn(OH)2(epsilon)
Zn(OH)2 +2.0000 H+ = + 1.0000 Zn++ + 2.0000 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+001 -7.8767e-003 7.1282e+003 2.7496e+001 1.2107e+002
# -Range: 0-200
Zn(OH)2(gamma)
Zn(OH)2 +2.0000 H+ = + 1.0000 Zn++ + 2.0000 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 +3.0000 H+ = + 1.0000 Cl- + 2.0000 Zn++ + 3.0000 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 +2.0000 H+ = + 1.0000 SO4-- + 2.0000 H2O + 2.0000 Zn++
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 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Zn++
log_k 13.8695
-delta_H -119.399 kJ/mol # Calculated enthalpy of reaction Zn2SiO4
# Enthalpy of formation: -1636.75 kJ/mol
-analytic 2.0970e+002 5.3663e-002 -1.2724e+002 -8.5445e+001 -2.2336e+000
# -Range: 0-200
Zn2TiO4
Zn2TiO4 +4.0000 H+ = + 1.0000 Ti(OH)4 + 2.0000 Zn++
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 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Zn++
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 +2.0000 H+ = + 1.0000 H2O + 2.0000 SO4-- + 3.0000 Zn++
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+001 -4.3860e-002 1.1301e+004 1.3709e+001 1.9193e+002
# -Range: 0-200
Zn5(NO3)2(OH)8
Zn5(NO3)2(OH)8 +8.0000 H+ = + 2.0000 NO3- + 5.0000 Zn++ + 8.0000 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 = + 1.0000 Zn++ + 2.0000 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-002 -2.1477e-002 1.9840e+003 2.9302e+000 3.3691e+001
# -Range: 0-200
ZnBr2:2H2O
ZnBr2:2H2O = + 1.0000 Zn++ + 2.0000 Br- + 2.0000 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 -4.9260e+001 -2.1682e-002 2.4325e+003 2.1360e+001 4.1324e+001
# -Range: 0-200
ZnCO3:H2O
ZnCO3:H2O +1.0000 H+ = + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Zn++
log_k 0.1398
-delta_H 0 # Not possible to calculate enthalpy of reaction ZnCO3:H2O
# Enthalpy of formation: 0 kcal/mol
ZnCl2
ZnCl2 = + 1.0000 Zn++ + 2.0000 Cl-
log_k 7.0880
-delta_H -72.4548 kJ/mol # Calculated enthalpy of reaction ZnCl2
# Enthalpy of formation: -415.09 kJ/mol
-analytic -1.6157e+001 -2.5405e-002 2.6505e+003 8.8584e+000 4.5015e+001
# -Range: 0-200
ZnCl2(NH3)2
ZnCl2(NH3)2 = + 1.0000 Zn++ + 2.0000 Cl- + 2.0000 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+001 -2.2698e-002 -2.9178e+002 2.4308e+001 -4.9341e+000
# -Range: 0-200
ZnCl2(NH3)4
ZnCl2(NH3)4 = + 1.0000 Zn++ + 2.0000 Cl- + 4.0000 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+001 -1.9793e-002 4.2916e+002 3.9412e+001 7.3223e+000
# -Range: 0-200
ZnCl2(NH3)6
ZnCl2(NH3)6 = + 1.0000 Zn++ + 2.0000 Cl- + 6.0000 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+002 -1.6896e-002 1.5559e+003 5.4524e+001 2.6470e+001
# -Range: 0-200
ZnCr2O4
ZnCr2O4 +8.0000 H+ = + 1.0000 Zn++ + 2.0000 Cr+++ + 4.0000 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+002 -1.0217e-002 1.7414e+004 5.1966e+001 2.9577e+002
# -Range: 0-200
ZnF2
ZnF2 = + 1.0000 Zn++ + 2.0000 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+002 -8.4594e-002 9.0240e+003 1.0318e+002 1.4089e+002
# -Range: 0-300
ZnI2
ZnI2 = + 1.0000 Zn++ + 2.0000 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+001 -2.5573e-002 2.0796e+003 9.9013e+000 3.5320e+001
# -Range: 0-200
ZnSO4
ZnSO4 = + 1.0000 SO4-- + 1.0000 Zn++
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+000 -1.8046e-002 2.2566e+003 -2.2819e+000 3.8318e+001
# -Range: 0-200
ZnSO4:6H2O
ZnSO4:6H2O = + 1.0000 SO4-- + 1.0000 Zn++ + 6.0000 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+002 -1.8736e-002 5.2179e+003 5.3121e+001 8.8657e+001
# -Range: 0-200
ZnSO4:7H2O
ZnSO4:7H2O = + 1.0000 SO4-- + 1.0000 Zn++ + 7.0000 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+002 -1.8833e-002 5.6484e+003 6.2326e+001 9.5975e+001
# -Range: 0-200
ZnSO4:H2O
ZnSO4:H2O = + 1.0000 H2O + 1.0000 SO4-- + 1.0000 Zn++
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+001 -1.8228e-002 1.5811e+003 7.0677e+000 2.6856e+001
# -Range: 0-200
ZnSeO3:H2O
ZnSeO3:H2O = + 1.0000 H2O + 1.0000 SeO3-- + 1.0000 Zn++
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+001 -1.9929e-002 6.4377e+001 7.0892e+000 1.0996e+000
# -Range: 0-200
Zoisite
Ca2Al3(SiO4)3OH +13.0000 H+ = + 2.0000 Ca++ + 3.0000 Al+++ + 3.0000 SiO2 + 7.0000 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+000 -3.5886e-002 1.9902e+004 -6.2443e+000 3.1055e+002
# -Range: 0-300
Zr
Zr +2.0000 H+ +1.0000 O2 = + 1.0000 Zr(OH)2++
log_k 177.6471
-delta_H -1078.71 kJ/mol # Calculated enthalpy of reaction Zr
# Enthalpy of formation: 0 kJ/mol
-analytic -2.8360e+001 -1.5214e-002 5.8045e+004 7.8012e+000 -3.0657e+005
# -Range: 0-300
ZrB2
ZrB2 +3.0000 H+ +2.0000 H2O +0.5000 O2 = + 1.0000 B(OH)3 + 1.0000 BH4- + 1.0000 Zr++++
log_k 103.4666
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrB2
# Enthalpy of formation: -326.628 kJ/mol
ZrC
ZrC +3.0000 H+ +2.0000 O2 = + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Zr++++
log_k 207.0906
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrC
# Enthalpy of formation: -203.008 kJ/mol
ZrCl
ZrCl +3.0000 H+ +0.7500 O2 = + 1.0000 Cl- + 1.0000 Zr++++ + 1.5000 H2O
log_k 130.9450
-delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl
# Enthalpy of formation: -303.211 kJ/mol
ZrCl2
ZrCl2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Zr++++ + 2.0000 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 +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Zr++++ + 3.0000 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 = + 1.0000 Zr++++ + 4.0000 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 = + 1.0000 Zr++++ + 4.0000 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 +4.0000 H+ +1.5000 O2 = + 1.0000 Zr++++ + 3.0000 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 +4.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 NH3 + 1.0000 Zr++++
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 = + 1.0000 O_phthalate-2 + 2.0000 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 7.3450e+001 1.9477e-002 -3.6511e+003 -3.1035e+001 -6.2027e+001
# -Range: 0-200
Br2(l)
Br2 +1.0000 H2O = + 0.5000 O2 + 2.0000 Br- + 2.0000 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+002 -5.8039e-002 1.5583e+003 6.6381e+001 2.4362e+001
# -Range: 0-300
Hg(l)
Hg +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hg++
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+001 -1.8504e-002 7.3141e+003 2.4888e+001 1.1415e+002
# -Range: 0-300
Ag(g)
Ag +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 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+000 1.7178e-003 1.6809e+004 0.0000e+000 0.0000e+000
# -Range: 0-200
Al(g)
Al +3.0000 H+ +0.7500 O2 = + 1.0000 Al+++ + 1.5000 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+000 -6.9301e-003 6.5270e+004 -1.0461e+001 1.1084e+003
# -Range: 0-200
Am(g)
Am +3.0000 H+ +0.7500 O2 = + 1.0000 Am+++ + 1.5000 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+001 -8.7560e-003 6.8166e+004 0.0000e+000 0.0000e+000
# -Range: 0-300
AmF3(g)
AmF3 = + 1.0000 Am+++ + 3.0000 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+001 -3.6440e-002 2.2278e+004 1.3418e+001 3.7833e+002
# -Range: 0-200
Ar(g)
Ar = + 1.0000 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+000 7.8991e-003 0.0000e+000 0.0000e+000 1.9830e+005
# -Range: 0-300
B(g)
B +1.5000 H2O +0.7500 O2 = + 1.0000 B(OH)3
log_k 200.8430
-delta_H -1201.68 kJ/mol # Calculated enthalpy of reaction B(g)
# Enthalpy of formation: 565 kJ/mol
-analytic 1.0834e+002 1.0606e-002 5.8150e+004 -4.2720e+001 9.8743e+002
# -Range: 0-200
BF3(g)
BF3 +3.0000 H2O = + 1.0000 B(OH)3 + 3.0000 F- + 3.0000 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+001 -2.4617e-002 -1.8159e+002 -1.9350e+001 -3.1018e+000
# -Range: 0-200
Be(g)
Be +2.0000 H+ +0.5000 O2 = + 1.0000 Be++ + 1.0000 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 +1.0000 H2O = + 0.5000 O2 + 2.0000 Br- + 2.0000 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+000 -1.7609e-002 -1.4941e+003 3.0300e+000 -2.5370e+001
# -Range: 0-200
C(g)
C +1.0000 H2O +1.0000 O2 = + 1.0000 H+ + 1.0000 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+002 1.7907e-003 5.2768e+004 -4.0661e+001 8.9605e+002
# -Range: 0-200
C2H4(g)
C2H4 = + 1.0000 C2H4
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+000 8.4676e-003 0.0000e+000 0.0000e+000 2.3971e+005
# -Range: 0-300
CH4(g)
CH4 = + 1.0000 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+001 4.7146e-003 3.7227e+002 6.4264e+000 2.3362e+005
# -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+000 9.2114e-003 0.0000e+000 0.0000e+000 2.0813e+005
# -Range: 0-300
CO2(g)
CO2 +1.0000 H2O = + 1.0000 H+ + 1.0000 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+001 -3.0431e-002 2.0702e+003 3.2427e+001 3.2328e+001
# -Range: 0-300
Ca(g)
Ca +2.0000 H+ +0.5000 O2 = + 1.0000 Ca++ + 1.0000 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+000 -4.8208e-003 5.1822e+004 0.0000e+000 0.0000e+000
# -Range: 0-200
Cd(g)
Cd +2.0000 H+ +0.5000 O2 = + 1.0000 Cd++ + 1.0000 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+000 -3.0921e-003 2.4126e+004 0.0000e+000 0.0000e+000
# -Range: 0-200
Cl2(g)
Cl2 +1.0000 H2O = + 0.5000 O2 + 2.0000 Cl- + 2.0000 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+001 -2.1491e-002 2.0652e+003 8.8629e+000 3.5076e+001
# -Range: 0-200
Cs(g)
Cs +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 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+001 9.1952e-003 2.3401e+004 -1.6824e+001 3.9736e+002
# -Range: 0-200
Cu(g)
Cu +2.0000 H+ +0.5000 O2 = + 1.0000 Cu++ + 1.0000 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+001 -2.7585e-003 2.8541e+004 0.0000e+000 0.0000e+000
# -Range: 0-200
F2(g)
F2 +1.0000 H2O = + 0.5000 O2 + 2.0000 F- + 2.0000 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+001 -2.1035e-002 1.9974e+004 1.1174e+001 3.3920e+002
# -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 -3.1050
-delta_H -4.184 kJ/mol # Calculated enthalpy of reaction H2(g)
# Enthalpy of formation: 0 kcal/mol
-analytic -9.3114e+000 4.6473e-003 -4.9335e+001 1.4341e+000 1.2815e+005
# -Range: 0-300
H2O(g)
H2O = + 1.0000 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+001 1.0752e-003 2.7519e+003 2.7548e+000 4.2945e+001
# -Range: 0-300
H2S(g)
H2S = + 1.0000 H+ + 1.0000 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+001 -3.1576e-002 1.8285e+003 3.7440e+001 2.8560e+001
# -Range: 0-300
HBr(g)
HBr = + 1.0000 Br- + 1.0000 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+000 -6.6641e-003 3.3951e+003 -3.4973e+000 5.7651e+001
# -Range: 0-200
HCl(g)
HCl = + 1.0000 Cl- + 1.0000 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-001 -8.6776e-003 3.0668e+003 -4.5105e-001 5.2078e+001
# -Range: 0-200
HF(g)
HF = + 1.0000 F- + 1.0000 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+000 -8.8440e-003 2.6279e+003 1.4180e+000 4.4628e+001
# -Range: 0-200
HI(g)
HI = + 1.0000 H+ + 1.0000 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 5.8250e-003 -8.7146e-003 3.5728e+003 0.0000e+000 0.0000e+000
# -Range: 0-200
He(g)
He = + 1.0000 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+001 4.6358e-003 1.8295e+002 2.8070e+000 9.3373e+004
# -Range: 0-300
Hf(g)
Hf +4.0000 H+ +1.0000 O2 = + 1.0000 Hf++++ + 2.0000 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 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hg++
log_k 19.7290
-delta_H -170.988 kJ/mol # Calculated enthalpy of reaction Hg(g)
# Enthalpy of formation: 61.38 kJ/mol
-analytic -1.6232e+001 -3.2863e-003 8.9831e+003 2.7505e+000 1.5255e+002
# -Range: 0-200
I2(g)
I2 +1.0000 H2O = + 0.5000 O2 + 2.0000 H+ + 2.0000 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+001 -2.1890e-002 -6.0267e+003 1.0339e+001 -1.0233e+002
# -Range: 0-200
K(g)
K +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 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+001 3.0700e-003 2.4729e+004 -5.0763e+000 4.1994e+002
# -Range: 0-200
Kr(g)
Kr = + 1.0000 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+001 4.8308e-003 4.2971e+002 5.3591e+000 2.2304e+005
# -Range: 0-300
Li(g)
Li +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 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+001 -1.4385e-003 3.0936e+004 6.9899e+000 5.2535e+002
# -Range: 0-200
Mg(g)
Mg +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Mg++
log_k 142.2494
-delta_H -892.831 kJ/mol # Calculated enthalpy of reaction Mg(g)
# Enthalpy of formation: 147.1 kJ/mol
-analytic -1.3470e+000 -7.7402e-004 4.5992e+004 -4.2207e+000 7.8101e+002
# -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+000 7.9606e-003 0.0000e+000 0.0000e+000 1.8604e+005
# -Range: 0-300
NH3(g)
NH3 = + 1.0000 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+001 3.3670e-004 2.5113e+003 4.8619e+000 3.9192e+001
# -Range: 0-300
NO(g)
NO +0.5000 H2O +0.2500 O2 = + 1.0000 H+ + 1.0000 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+000 -1.2708e-001 -6.0593e+003 2.0504e+001 -9.4551e+001
# -Range: 0-300
NO2(g)
NO2 +0.5000 H2O +0.2500 O2 = + 1.0000 H+ + 1.0000 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+001 -2.7511e-001 -1.6783e+004 2.1127e+001 -2.6191e+002
# -Range: 0-300
Na(g)
Na +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Na+
log_k 80.8640
-delta_H -487.685 kJ/mol # Calculated enthalpy of reaction Na(g)
# Enthalpy of formation: 107.5 kJ/mol
-analytic -6.0156e+000 2.4712e-003 2.5682e+004 0.0000e+000 0.0000e+000
# -Range: 0-200
Ne(g)
Ne = + 1.0000 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+000 6.3991e-003 0.0000e+000 0.0000e+000 1.1271e+005
# -Range: 0-300
O2(g)
O2 = + 1.0000 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+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005
# -Range: 0-300
Pb(g)
Pb +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Pb++
log_k 75.6090
-delta_H -474.051 kJ/mol # Calculated enthalpy of reaction Pb(g)
# Enthalpy of formation: 195.2 kJ/mol
-analytic 2.5752e+001 2.1307e-003 2.3397e+004 -1.1825e+001 3.9730e+002
# -Range: 0-200
Rb(g)
Rb +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 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+001 5.9775e-003 2.3720e+004 -1.1189e+001 4.0279e+002
# -Range: 0-200
Rn(g)
Rn = + 1.0000 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+001 4.9893e-003 1.4118e+002 8.8798e+000 3.8095e+005
# -Range: 0-300
RuCl3(g)
RuCl3 = + 1.0000 Ru+++ + 3.0000 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 +1.0000 H2O = + 1.0000 RuO4-- + 2.0000 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+002 1.7191e-002 6.8526e+002 -4.6922e+001 1.1598e+001
# -Range: 0-200
S2(g)
S2 +2.0000 H2O = + 0.5000 SO4-- + 1.5000 HS- + 2.5000 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+002 -7.7069e-002 4.8816e+003 7.5802e+001 7.6228e+001
# -Range: 0-300
SO2(g)
SO2 = SO2
log_k 0.1700
-delta_H 0 # Not possible to calculate enthalpy of reaction SO2(g)
# Enthalpy of formation: 0 kcal/mol
-analytic -2.0205e+001 2.8861e-003 1.4862e+003 5.2958e+000 1.2721e+005
# -Range: 0-300
Si(g)
Si +1.0000 O2 = + 1.0000 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+002 8.0113e-002 5.4468e+004 -1.6433e+002 9.2480e+002
# -Range: 0-200
SiF4(g)
SiF4 +2.0000 H2O = + 1.0000 SiO2 + 4.0000 F- + 4.0000 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+002 3.3668e-002 -1.2780e+004 -1.3410e+002 -2.1714e+002
# -Range: 0-200
Sn(g)
Sn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Sn++
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+001 -5.6877e-005 2.9728e+004 -8.1131e+000 5.0482e+002
# -Range: 0-200
Tc2O7(g)
Tc2O7 +1.0000 H2O = + 2.0000 H+ + 2.0000 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 7.4140e+001 1.5668e-002 5.6360e+003 -3.0860e+001 9.5682e+001
# -Range: 0-200
Th(g)
Th +4.0000 H+ +1.0000 O2 = + 1.0000 Th++++ + 2.0000 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+001 2.7318e-003 9.8807e+004 -1.7332e+001 1.6779e+003
# -Range: 0-200
Ti(g)
Ti +2.0000 H2O +1.0000 O2 = + 1.0000 Ti(OH)4
log_k 224.3510
-delta_H 0 # Not possible to calculate enthalpy of reaction Ti(g)
# Enthalpy of formation: 473 kJ/mol
TiBr4(g)
TiBr4 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 Br- + 4.0000 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 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 Cl- + 4.0000 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 +2.0000 H2O +0.5000 O2 = + 1.0000 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 +2.0000 H+ +1.5000 O2 = + 1.0000 H2O + 1.0000 UO2++
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+001 -6.3804e-003 9.2048e+004 -1.8614e+001 1.4363e+003
# -Range: 0-300
U2Cl10(g)
U2Cl10 +4.0000 H2O = + 2.0000 UO2+ + 8.0000 H+ + 10.0000 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+002 -3.0070e-001 4.5824e+004 3.1267e+002 7.1526e+002
# -Range: 0-300
U2Cl8(g)
U2Cl8 = + 2.0000 U++++ + 8.0000 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+002 -2.6943e-001 5.4358e+004 2.9287e+002 8.4843e+002
# -Range: 0-300
U2F10(g)
U2F10 +4.0000 H2O = + 2.0000 UO2+ + 8.0000 H+ + 10.0000 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+002 -3.2040e-001 3.1047e+004 3.6143e+002 4.8473e+002
# -Range: 0-300
UBr(g)
UBr +1.0000 O2 = + 1.0000 Br- + 1.0000 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+002 -6.3059e-002 8.7633e+004 1.1032e+002 -1.0104e+006
# -Range: 0-300
UBr2(g)
UBr2 +1.0000 O2 = + 1.0000 UO2++ + 2.0000 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+002 -6.4613e-002 6.4196e+004 4.8209e+001 1.0018e+003
# -Range: 0-300
UBr3(g)
UBr3 = + 1.0000 U+++ + 3.0000 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+002 -9.7583e-002 3.0225e+004 1.0240e+002 4.7171e+002
# -Range: 0-300
UBr4(g)
UBr4 = + 1.0000 U++++ + 4.0000 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+002 -1.2867e-001 3.0898e+004 1.3781e+002 4.8223e+002
# -Range: 0-300
UBr5(g)
UBr5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 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+002 -1.4298e-001 2.8151e+004 1.4406e+002 4.3938e+002
# -Range: 0-300
UCl(g)
UCl +1.0000 O2 = + 1.0000 Cl- + 1.0000 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+001 -2.7879e-002 7.0800e+004 1.3954e+001 1.1048e+003
# -Range: 0-300
UCl2(g)
UCl2 +1.0000 O2 = + 1.0000 UO2++ + 2.0000 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+002 -6.7829e-002 6.2413e+004 5.3100e+001 9.7394e+002
# -Range: 0-300
UCl3(g)
UCl3 = + 1.0000 U+++ + 3.0000 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+002 -1.0243e-001 2.8859e+004 1.0982e+002 4.5040e+002
# -Range: 0-300
UCl4(g)
UCl4 = + 1.0000 U++++ + 4.0000 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+002 -1.3504e-001 3.0243e+004 1.4746e+002 4.7202e+002
# -Range: 0-300
UCl5(g)
UCl5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 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+002 -1.5109e-001 2.8170e+004 1.5654e+002 4.3968e+002
# -Range: 0-300
UCl6(g)
UCl6 +2.0000 H2O = + 1.0000 UO2++ + 4.0000 H+ + 6.0000 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+002 -1.9133e-001 3.2528e+004 1.9503e+002 5.0771e+002
# -Range: 0-300
UF(g)
UF +1.0000 O2 = + 1.0000 F- + 1.0000 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+001 -3.0360e-002 6.7619e+004 2.0095e+001 1.0551e+003
# -Range: 0-300
UF2(g)
UF2 +1.0000 O2 = + 1.0000 UO2++ + 2.0000 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+002 -1.0881e-001 7.6778e+004 1.5835e+002 -8.8536e+005
# -Range: 0-300
UF3(g)
UF3 = + 1.0000 U+++ + 3.0000 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+002 -1.0866e-001 2.9694e+004 1.2551e+002 4.6344e+002
# -Range: 0-300
UF4(g)
UF4 = + 1.0000 U++++ + 4.0000 F-
log_k 14.5980
-delta_H -331.39 kJ/mol # Calculated enthalpy of reaction UF4(g)
# Enthalpy of formation: -1601.2 kJ/mol
-analytic -4.4692e+002 -1.4314e-001 2.6427e+004 1.6791e+002 4.1250e+002
# -Range: 0-300
UF5(g)
UF5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 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+002 -1.6177e-001 2.0986e+004 1.8345e+002 3.2760e+002
# -Range: 0-300
UF6(g)
UF6 +2.0000 H2O = + 1.0000 UO2++ + 4.0000 H+ + 6.0000 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+002 -2.0409e-001 2.7680e+004 2.2743e+002 4.3209e+002
# -Range: 0-300
UI(g)
UI +1.0000 O2 = + 1.0000 I- + 1.0000 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+001 -2.6631e-002 7.2899e+004 1.2133e+001 1.1375e+003
# -Range: 0-300
UI2(g)
UI2 +1.0000 O2 = + 1.0000 UO2++ + 2.0000 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+002 -9.5116e-002 7.6218e+004 1.2543e+002 -6.8683e+005
# -Range: 0-300
UI3(g)
UI3 = + 1.0000 U+++ + 3.0000 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+002 -9.8782e-002 3.1972e+004 1.0456e+002 4.9897e+002
# -Range: 0-300
UI4(g)
UI4 = + 1.0000 U++++ + 4.0000 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+002 -1.3022e-001 3.3347e+004 1.4051e+002 5.2046e+002
# -Range: 0-300
UO(g)
UO +2.0000 H+ +1.0000 O2 = + 1.0000 H2O + 1.0000 UO2++
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+002 -3.1985e-002 7.8469e+004 5.8892e+001 -6.8071e+005
# -Range: 0-300
UO2(g)
UO2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 UO2++
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+000 -3.5754e-003 4.2074e+004 -3.7117e+000 6.5653e+002
# -Range: 0-300
UO2Cl2(g)
UO2Cl2 = + 1.0000 UO2++ + 2.0000 Cl-
log_k 47.9630
-delta_H -381.559 kJ/mol # Calculated enthalpy of reaction UO2Cl2(g)
# Enthalpy of formation: -971.6 kJ/mol
-analytic -1.8035e+002 -6.5574e-002 2.3064e+004 6.8894e+001 3.5994e+002
# -Range: 0-300
UO2F2(g)
UO2F2 = + 1.0000 UO2++ + 2.0000 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+002 -6.9882e-002 2.1774e+004 7.9780e+001 3.3983e+002
# -Range: 0-300
UO3(g)
UO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 UO2++
log_k 70.9480
-delta_H -505.638 kJ/mol # Calculated enthalpy of reaction UO3(g)
# Enthalpy of formation: -799.2 kJ/mol
-analytic -3.2820e+001 -2.6807e-003 2.6914e+004 5.7767e+000 4.1997e+002
# -Range: 0-300
UOF4(g)
UOF4 +1.0000 H2O = + 1.0000 UO2++ + 2.0000 H+ + 4.0000 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+002 -1.3699e-001 2.4127e+004 1.5359e+002 3.7660e+002
# -Range: 0-300
Xe(g)
Xe = + 1.0000 Xe
log_k -2.3640
-delta_H -18.8698 kJ/mol # Calculated enthalpy of reaction Xe(g)
# Enthalpy of formation: 0 kcal/mol
-analytic -2.0636e+001 5.1389e-003 2.0490e+002 5.1913e+000 2.8556e+005
# -Range: 0-300
Zn(g)
Zn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Zn++
log_k 85.4140
-delta_H -563.557 kJ/mol # Calculated enthalpy of reaction Zn(g)
# Enthalpy of formation: 130.4 kJ/mol
-analytic -1.0898e+001 -3.9871e-003 2.9068e+004 0.0000e+000 0.0000e+000
# -Range: 0-200
Zr(g)
Zr +4.0000 H+ +1.0000 O2 = + 1.0000 Zr++++ + 2.0000 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 = + 1.0000 Zr++++ + 4.0000 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 0.0
Na+ + X- = NaX
log_k 0.0
-llnl_gamma 4.0
K+ + X- = KX
log_k 0.7
-llnl_gamma 3.0
delta_h -4.3 # Jardine & Sparks, 1984
Li+ + X- = LiX
log_k -0.08
-llnl_gamma 6.0
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 + 2X- = CaX2
log_k 0.8
-llnl_gamma 6.0
delta_h 7.2 # Van Bladel & Gheyl, 1980
Mg+2 + 2X- = MgX2
log_k 0.6
-llnl_gamma 8.0
delta_h 7.4 # Laudelout et al., 1968
Sr+2 + 2X- = SrX2
log_k 0.91
-llnl_gamma 5.0
delta_h 5.5 # Laudelout et al., 1968
Ba+2 + 2X- = BaX2
log_k 0.91
-llnl_gamma 5.0
delta_h 4.5 # Laudelout et al., 1968
Mn+2 + 2X- = MnX2
log_k 0.52
-llnl_gamma 6.0
Fe+2 + 2X- = FeX2
log_k 0.44
-llnl_gamma 6.0
Cu+2 + 2X- = CuX2
log_k 0.6
-llnl_gamma 6.0
Zn+2 + 2X- = ZnX2
log_k 0.8
-llnl_gamma 6.0
Cd+2 + 2X- = CdX2
log_k 0.8
-llnl_gamma 5.0
Pb+2 + 2X- = PbX2
log_k 1.05
-llnl_gamma 4.5
Al+3 + 3X- = AlX3
log_k 0.41
-llnl_gamma 9.0
AlOH+2 + 2X- = 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 0.0
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 0.0
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 + 2H+
log_k -17.60
# 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 + 3H+ = Hfo_wH2PO4 + H2O
log_k 31.29
Hfo_wOH + PO4-3 + 2H+ = 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, H.U., 1990, The kinetics of base cation release due to
# chemical weathering: Lund University Press, Lund, 246 p.
#
# Example of KINETICS data block for K-feldspar rate:
# KINETICS 1
# K-feldspar
# -m0 2.16 # 10% K-fsp, 0.1 mm cubes
# -m 1.94
# -parms 1.36e4 0.1
K-feldspar
-start
1 rem specific rate from Sverdrup, 1990, in kmol/m2/s
2 rem parm(1) = 10 * (A/V, 1/dm) (recalc's sp. rate to mol/kgw)
3 rem parm(2) = corrects for field rate relative to lab rate
4 rem temp corr: from p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298)
10 dif_temp = 1/TK - 1/298
20 pk_H = 12.5 + 3134 * dif_temp
30 pk_w = 15.3 + 1838 * dif_temp
40 pk_OH = 14.2 + 3134 * dif_temp
50 pk_CO2 = 14.6 + 1677 * dif_temp
#60 pk_org = 13.9 + 1254 * dif_temp # rate increase with DOC
70 rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3
71 rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6
#72 rate = rate + 10^-pk_org * TOT("Doc")^0.4
80 moles = parm(1) * parm(2) * rate * (1 - SR("K-feldspar")) * time
81 rem decrease rate on precipitation
90 if SR("K-feldspar") > 1 then moles = moles * 0.1
100 save moles
-end
###########
#Albite
###########
#
# Sverdrup, H.U., 1990, The kinetics of base cation release due to
# chemical weathering: Lund University Press, Lund, 246 p.
#
# Example of KINETICS data block for Albite rate:
# KINETICS 1
# Albite
# -m0 0.43 # 2% Albite, 0.1 mm cubes
# -parms 2.72e3 0.1
Albite
-start
1 rem specific rate from Sverdrup, 1990, in kmol/m2/s
2 rem parm(1) = 10 * (A/V, 1/dm) (recalc's sp. rate to mol/kgw)
3 rem parm(2) = corrects for field rate relative to lab rate
4 rem temp corr: from p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298)
10 dif_temp = 1/TK - 1/298
20 pk_H = 12.5 + 3359 * dif_temp
30 pk_w = 14.8 + 2648 * dif_temp
40 pk_OH = 13.7 + 3359 * dif_temp
#41 rem ^12.9 in Sverdrup, but larger than for oligoclase...
50 pk_CO2 = 14.0 + 1677 * dif_temp
#60 pk_org = 12.5 + 1254 * dif_temp # ...rate increase for DOC
70 rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3
71 rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6
#72 rate = rate + 10^-pk_org * TOT("Doc")^0.4
80 moles = parm(1) * parm(2) * rate * (1 - SR("Albite")) * time
81 rem decrease rate on precipitation
90 if SR("Albite") > 1 then moles = moles * 0.1
100 save moles
-end
########
#Calcite
########
#
# Plummer, L.N., Wigley, T.M.L., and Parkhurst, D.L., 1978,
# American Journal of Science, v. 278, p. 179-216.
#
# Example of KINETICS data block for calcite rate:
#
# KINETICS 1
# Calcite
# -tol 1e-8
# -m0 3.e-3
# -m 3.e-3
# -parms 5.0 0.6
Calcite
-start
1 rem Modified from Plummer and others, 1978
2 rem parm(1) = A/V, 1/m 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 - 444.0 / (273.16 + tc) )
40 k2 = 10^(2.84 - 2177.0 / (273.16 + tc) )
50 if tc <= 25 then k3 = 10^(-5.86 - 317.0 / (273.16 + tc) )
60 if tc > 25 then k3 = 10^(-1.1 - 1737.0 / (273.16 + tc) )
70 t = 1
80 if m0 > 0 then t = m/m0
90 if t = 0 then t = 1
100 moles = parm(1) * (t)^parm(2)
110 moles = moles * (k1 * act("H+") + k2 * act("CO2") + k3 * act("H2O"))
120 moles = moles * (1 - 10^(2/3*si_cc))
130 moles = moles * time
140 if (moles > m) then moles = m
150 if (moles >= 0) then goto 200
160 temp = tot("Ca")
170 mc = tot("C(4)")
180 if mc < temp then temp = mc
190 if -moles > temp then moles = -temp
200 save moles
-end
#######
#Pyrite
#######
#
# Williamson, M.A. and Rimstidt, J.D., 1994,
# Geochimica et Cosmochimica Acta, v. 58, p. 5443-5454.
#
# Example of KINETICS data block for pyrite rate:
# KINETICS 1
# Pyrite
# -tol 1e-8
# -m0 5.e-4
# -m 5.e-4
# -parms 2.0 0.67 .5 -0.11
Pyrite
-start
1 rem Williamson and Rimstidt, 1994
2 rem parm(1) = log10(A/V, 1/dm) parm(2) = exp for (m/m0)
3 rem parm(3) = exp for O2 parm(4) = exp for H+
10 if (m <= 0) then goto 200
20 if (si("Pyrite") >= 0) then goto 200
20 rate = -10.19 + parm(1) + parm(3)*lm("O2") + parm(4)*lm("H+") + parm(2)*log10(m/m0)
30 moles = 10^rate * time
40 if (moles > m) then moles = m
200 save moles
-end
##########
#Organic_C
##########
#
# Example of KINETICS data block for Organic_C rate:
# KINETICS 1
# Organic_C
# -tol 1e-8
# # m in mol/kgw
# -m0 5e-3
# -m 5e-3
Organic_C
-start
1 rem Additive Monod kinetics
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 rate = 1.57e-9*mO2/(2.94e-4 + mO2) + 1.67e-11*mNO3/(1.55e-4 + mNO3)
60 rate = rate + 1.e-13*mSO4/(1.e-4 + mSO4)
70 moles = rate * m * (m/m0) * time
80 if (moles > m) then moles = m
200 save moles
-end
###########
#Pyrolusite
###########
#
# Postma, D. and Appelo, C.A.J., 2000, GCA 64, in press
#
# Example of KINETICS data block for Pyrolusite
# KINETICS 1-12
# Pyrolusite
# -tol 1.e-7
# -m0 0.1
# -m 0.1
Pyrolusite
-start
5 if (m <= 0.0) then goto 200
7 sr_pl = sr("Pyrolusite")
9 if abs(1 - sr_pl) < 0.1 then goto 200
10 if (sr_pl > 1.0) then goto 100
#20 rem initially 1 mol Fe+2 = 0.5 mol pyrolusite. k*A/V = 1/time (3 cells)
#22 rem time (3 cells) = 1.432e4. 1/time = 6.98e-5
30 Fe_t = tot("Fe(2)")
32 if Fe_t < 1.e-8 then goto 200
40 moles = 6.98e-5 * Fe_t * (m/m0)^0.67 * time * (1 - sr_pl)
50 if moles > Fe_t / 2 then moles = Fe_t / 2
70 if moles > m then moles = m
90 goto 200
100 Mn_t = tot("Mn")
110 moles = 2e-3 * 6.98e-5 * (1-sr_pl) * time
120 if moles <= -Mn_t then moles = -Mn_t
200 save moles
-end
END
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