# PHREEQC database # Base de Donnee Thermoddem_MAJ2020 # Version V1.10 # BDD Date : 12/15/2020 5:30:25 AM # Converted on 12/15/2020 5:30:59 AM by ThermoBridge 1.0.3.4 # Data from Thermoddem V1.10 Code version 1.07_2.06 # Thermochemical Database # from the BRGM institute (french geological survey) # The database is regularly updated. Kindly send comments or # corrections to the Thermoddem team # https://thermoddem.brgm.fr/ LLNL_AQUEOUS_MODEL_PARAMETERS -temperatures 0.0000 25.0000 60.0000 100.0000 150.0000 200.0000 250.0000 300.0000 #debye huckel a (adh) -dh_a 0.4901 0.5095 0.5450 0.5986 0.6867 0.8046 0.9710 1.2414 #debye huckel b (bdh) -dh_b 0.3245 0.3284 0.3343 0.3420 0.3528 0.3647 0.3782 0.3950 #bdot (bdot) -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 -0.00161 NAMED_EXPRESSIONS # # formation of O2 from H2O # 2H2O = O2 + 4H+ + 4e- # Log_K_O2 log_k -85.991 delta_H 559.524 kJ/mol # -analytic 2.1432E+2 3.00247E-2 -4.21233E+4 -7.2111E+1 9.29169E+5 SOLUTION_MASTER_SPECIES #element species alk gfw_formula element_gfw Alkalinity HCO3- 1 Ca0.5(CO3)0.5 50.05 E e- 0 0 0 Ag Ag+ 0 Ag 107.868 Ag(1) Ag+ 0 Ag 107.868 Ag(2) Ag+2 0 Ag 107.868 Al Al+3 0 Al 26.982 Ar Ar 0 Ar 39.948 As H2AsO4- 0 As 74.922 As(-3) AsH3 0 As 74.922 As(3) H2AsO3- 1 As 74.922 As(5) H2AsO4- 0 As 74.922 Au Au+ -1 Au 196.967 Au(1) Au+ -1 Au 196.967 Au(3) Au+3 0 Au 196.967 B B(OH)3 0 B 10.811 Ba Ba+2 0 Ba 137.34 Be Be+2 0 Be 9.012 Bi Bi+3 -2 Bi 208.98 Br Br- 0 Br 79.904 Br(-1) Br- 0 Br 79.904 Br(-0.3) Br3- 0 Br 79.904 Br(1) BrO- 1 Br 79.904 Br(5) BrO3- 0 Br 79.904 Br(7) BrO4- 0 Br 79.904 C HCO3- 1 C 12.011 C(-4) CH4 0 C 12.011 C(2) CO 0 C 12.011 C(4) HCO3- 1 C 12.011 Ca Ca+2 0 Ca 40.078 Cd Cd+2 0 Cd 112.41 Ce Ce+3 0 Ce 140.12 Ce(2) Ce+2 0 Ce 140.12 Ce(3) Ce+3 0 Ce 140.12 Ce(4) Ce+4 0 Ce 140.12 Cl Cl- 0 Cl 35.452 Cl(-1) Cl- 0 Cl 35.452 Cl(1) ClO- 1 Cl 35.452 Cl(3) ClO2- 0 Cl 35.452 Cl(4) ClO2 0 Cl 35.452 Cl(5) ClO3- 0 Cl 35.452 Cl(7) ClO4- 0 Cl 35.452 Co Co+2 0 Co 58.933 Co(2) Co+2 0 Co 58.933 Cr CrO4-2 1 Cr 51.966 Cr(2) Cr+2 0 Cr 51.966 Cr(3) Cr+3 -1 Cr 51.966 Cr(6) CrO4-2 1 Cr 51.966 Cs Cs+ 0 Cs 132.905 Cu Cu+2 0 Cu 63.546 Cu(1) Cu+ 0 Cu 63.546 Cu(2) Cu+2 0 Cu 63.546 Dy Dy+3 0 Dy 162.5 Dy(2) Dy+2 0 Dy 162.5 Dy(3) Dy+3 0 Dy 162.5 Dy(4) Dy+4 0 Dy 162.5 Er Er+3 0 Er 167.26 Er(2) Er+2 0 Er 167.26 Er(3) Er+3 0 Er 167.26 Er(4) Er+4 0 Er 167.26 Eu Eu+3 0 Eu 151.964 Eu(2) Eu+2 0 Eu 151.964 Eu(3) Eu+3 0 Eu 151.964 Eu(4) Eu+4 0 Eu 151.964 F F- 0 F 18.998 Fe Fe+2 0 Fe 55.847 Fe(2) Fe+2 0 Fe 55.847 Fe(3) Fe+3 -2 Fe 55.847 Fr Fr+ 0 Fr 223.02 Ga Ga+3 -4 Ga 69.723 Gd Gd+3 0 Gd 157.25 Gd(2) Gd+2 0 Gd 157.25 Gd(3) Gd+3 0 Gd 157.25 Gd(4) Gd+4 0 Gd 157.25 Ge Ge(OH)4 0 Ge 72.61 H H+ -1 H 1.008 H(0) H2 0 H 1.008 H(1) H+ -1 H 1.008 He He 0 He 4.003 Hf Hf+4 -3 Hf 178.49 Hg Hg+2 -2 Hg 200.59 Hg(0) Hg 0 Hg 200.59 Hg(1) Hg2+2 0 Hg 200.59 Hg(2) Hg+2 -2 Hg 200.59 Ho Ho+3 0 Ho 164.93 Ho(2) Ho+2 0 Ho 164.93 Ho(3) Ho+3 0 Ho 164.93 Ho(4) Ho+4 0 Ho 164.93 I I- 0 I 126.904 I(-1) I- 0 I 126.904 I(-0.3) I3- 0 I 126.904 I(1) IO- 0 I 126.904 I(5) IO3- 0 I 126.904 I(7) IO4- 0 I 126.904 In In+3 -2 In 114.82 K K+ 0 K 39.098 Kr Kr 0 Kr 83.8 La La+3 0 La 138.906 La(2) La+2 0 La 138.906 La(3) La+3 0 La 138.906 Li Li+ 0 Li 6.941 Lu Lu+3 0 Lu 174.967 Lu(3) Lu+3 0 Lu 174.967 Lu(4) Lu+4 0 Lu 174.967 Mg Mg+2 0 Mg 24.305 Mn Mn+2 0 Mn 54.938 Mn(2) Mn+2 0 Mn 54.938 Mn(3) Mn+3 0 Mn 54.938 Mn(6) MnO4-2 0 Mn 54.938 Mn(7) MnO4- 0 Mn 54.938 Mo MoO4-2 0 Mo 95.94 N NH3 1 N 14.007 N(-5) CN- 1 N 14.007 N(-3) NH3 1 N 14.007 N(0) N2 0 N 14.007 N(3) NO2- 0 N 14.007 N(5) NO3- 0 N 14.007 Na Na+ 0 Na 22.99 Nb NbO3- 1 Nb 92.906 Nd Nd+3 0 Nd 144.24 Nd(2) Nd+2 0 Nd 144.24 Nd(3) Nd+3 0 Nd 144.24 Nd(4) Nd+4 0 Nd 144.24 Ne Ne 0 Ne 20.18 Ni Ni+2 0 Ni 58.693 O H2O 0 O 15.999 O(-2) H2O 0 O 15.999 O(0) O2 0 O 15.999 P H2PO4- 0 P 30.974 P(-3) PH3 0 P 30.974 P(2) H2PO2- 0 P 30.974 P(3) H2PO3- 0 P 30.974 P(5) H2PO4- 0 P 30.974 Pb Pb+2 0 Pb 207.2 Pd Pd+2 -2 Pd 106.42 Pm Pm+3 0 Pm 144.913 Pm(2) Pm+2 0 Pm 144.913 Pm(3) Pm+3 0 Pm 144.913 Pm(4) Pm+4 0 Pm 144.913 Pr Pr+3 0 Pr 140.908 Pr(2) Pr+2 0 Pr 140.908 Pr(3) Pr+3 0 Pr 140.908 Pr(4) Pr+4 0 Pr 140.908 Pt Pt+2 -2 Pt 195.08 Ra Ra+2 0 Ra 226.025 Rb Rb+ 0 Rb 85.468 Re ReO4- 0 Re 186.27 Rh Rh+2 0 Rh 102.906 Rh(2) Rh+2 0 Rh 102.906 Rh(3) Rh+3 -2 Rh 102.906 Rn Rn 0 Rn 222.018 Ru RuO4-2 0 Ru 101.07 Ru(2) Ru+2 0 Ru 101.07 Ru(3) Ru+3 -2 Ru 101.07 Ru(6) RuO4-2 0 Ru 101.07 S SO4-2 0 S 32.066 S(-2) HS- 1 S 32.066 S(2) S2O3-2 0 S 32.066 S(3) S2O4-2 0 S 32.066 S(4) SO3-2 1 S 32.066 S(5) S2O6-2 0 S 32.066 S(6) SO4-2 0 S 32.066 S(7) S2O8-2 0 S 32.066 S(8) HSO5- 0 S 32.066 Sb Sb(OH)3 0 Sb 121.76 Sc Sc+3 0 Sc 44.956 Se SeO3-2 1 Se 78.96 Se(-2) HSe- 0 Se 78.96 Se(4) SeO3-2 1 Se 78.96 Se(6) SeO4-2 0 Se 78.96 Si H4SiO4 0 Si 28.086 Sm Sm+3 0 Sm 150.36 Sm(2) Sm+2 0 Sm 150.36 Sm(3) Sm+3 0 Sm 150.36 Sm(4) Sm+4 0 Sm 150.36 Sn Sn+2 -2 Sn 118.71 Sr Sr+2 0 Sr 87.62 Tb Tb+3 0 Tb 158.925 Tb(2) Tb+2 0 Tb 158.925 Tb(3) Tb+3 0 Tb 158.925 Tb(4) Tb+4 0 Tb 158.925 Tc TcO4- 0 Tc 97.907 Th Th+4 0 Th 232.038 Ti Ti(OH)4 0 Ti 47.87 Tl Tl+ -1 Tl 204.383 Tl(1) Tl+ -1 Tl 204.383 Tl(3) Tl+3 -3 Tl 204.383 Tm Tm+3 0 Tm 168.934 Tm(2) Tm+2 0 Tm 168.934 Tm(3) Tm+3 0 Tm 168.934 Tm(4) Tm+4 0 Tm 168.934 U UO2+2 0 U 238.029 U(3) U+3 0 U 238.029 U(4) U+4 -4 U 238.029 U(5) UO2+ 0 U 238.029 U(6) UO2+2 0 U 238.029 V VO+2 0 V 50.942 V(2) V+2 0 V 50.942 V(3) V+3 -2 V 50.942 V(4) VO+2 0 V 50.942 V(5) VO2+ -2 V 50.942 W WO4-2 0 W 183.84 Xe Xe 0 Xe 131.29 Y Y+3 0 Y 88.906 Yb Yb+3 0 Yb 173.04 Yb(2) Yb+2 0 Yb 173.04 Yb(3) Yb+3 0 Yb 173.04 Yb(4) Yb+4 0 Yb 173.04 Zn Zn+2 0 Zn 65.39 Zr ZrO+2 -1 Zr 91.224 SOLUTION_SPECIES 1.000H2O = H2O -llnl_gamma 3.4 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; V°: Default value; 1.000H+ = H+ -llnl_gamma 9.0 log_k 0.000 1.000e- = e- -llnl_gamma 3.6 log_k 0.000 #References = S°: 89cox/wag; V°: Default value; 1.000Al+3 = Al+3 -llnl_gamma 9.0 log_k 0.000 #References = LogK/DGf: 06bla/pia; DHf/DHr: 89cox/wag; S°: Internal calculation; Cp: 95pok/hel; V°: 95pok/hel; 1.000Ar = Ar -llnl_gamma 3.4 log_k 0.000 #References = LogK/DGf: 89bsho/hel, 01sch/sho; DHf/DHr: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho; 1.000B(OH)3 = B(OH)3 -llnl_gamma 3.4 log_k 0.000 #References = LogK/DGf: 95pok/sch; DHf/DHr: Internal calculation; S°: 95pok/sch; Cp: 95pok/sch; V°: 95pok/sch; 1.000Ba+2 = Ba+2 -llnl_gamma 5.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Be+2 = Be+2 -llnl_gamma 8.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Bi+3 = Bi+3 -llnl_gamma 8.2 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Ca+2 = Ca+2 -llnl_gamma 6.0 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cd+2 = Cd+2 -llnl_gamma 5.0 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cs+ = Cs+ -llnl_gamma 2.5 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000F- = F- -llnl_gamma 3.5 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas; 1.000Fr+ = Fr+ -llnl_gamma 4.1 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Ga+3 = Ga+3 -llnl_gamma 4.5 log_k 0.000 #References = LogK/DGf: 97ben/dia; DHf/DHr: Internal calculation; S°: 97ben/dia; Cp: 97ben/dia; V°: 97ben/dia; 1.000Ge(OH)4 = Ge(OH)4 -llnl_gamma 3.4 log_k 0.000 #References = LogK/DGf: 05pok/rou; DHf/DHr: Internal calculation; S°: 05pok/rou; Cp: 05pok/rou; V°: 05pok/rou; 1.000H4SiO4 = H4SiO4 -llnl_gamma 3.4 log_k 0.000 #References = LogK/DGf: 01ste; DHf/DHr: Internal calculation; S°: 01ste; Cp: 01ste; V°: 01ste; 1.000He = He -llnl_gamma 3.4 log_k 0.000 #References = LogK/DGf: 89bsho/hel, 01sch/sho; DHf/DHr: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho; 1.000Hf+4 = Hf+4 -llnl_gamma 11.6 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000In+3 = In+3 -llnl_gamma 9.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000K+ = K+ -llnl_gamma 3.0 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas; 1.000Kr = Kr -llnl_gamma 3.4 log_k 0.000 #References = LogK/DGf: 89bsho/hel, 01sch/sho; DHf/DHr: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho; 1.000Li+ = Li+ -llnl_gamma 6.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Mg+2 = Mg+2 -llnl_gamma 6.5 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas; 1.000MoO4-2 = MoO4-2 -llnl_gamma 4.5 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Na+ = Na+ -llnl_gamma 4.2 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas; 1.000NbO3- = NbO3- -llnl_gamma 3.6 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Ne = Ne -llnl_gamma 3.4 log_k 0.000 #References = LogK/DGf: 89bsho/hel, 01sch/sho; DHf/DHr: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho; 1.000Ni+2 = Ni+2 -llnl_gamma 6.0 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 10pal/gam; S°: 10pal/gam; Cp: 97asho/sas; V°: 97asho/sas; 1.000Pb+2 = Pb+2 -llnl_gamma 4.5 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas; 1.000Pd+2 = Pd+2 -llnl_gamma 5.7 log_k 0.000 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Pt+2 = Pt+2 -llnl_gamma 5.7 log_k 0.000 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Ra+2 = Ra+2 -llnl_gamma 5.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Rb+ = Rb+ -llnl_gamma 2.5 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000ReO4- = ReO4- -llnl_gamma 3.6 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Rn = Rn -llnl_gamma 3.4 log_k 0.000 #References = LogK/DGf: 89bsho/hel, 01sch/sho; DHf/DHr: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho; 1.000Sb(OH)3 = Sb(OH)3 -llnl_gamma 3.4 log_k 0.000 #References = LogK/DGf: 03zot/shi; DHf/DHr: Internal calculation; S°: 03zot/shi; Cp: 03zot/shi; V°: 03zot/shi; 1.000Sc+3 = Sc+3 -llnl_gamma 9.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Sn+2 = Sn+2 -llnl_gamma 6.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Sr+2 = Sr+2 -llnl_gamma 5.0 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 97asho/sas; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000TcO4- = TcO4- -llnl_gamma 3.6 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Th+4 = Th+4 -llnl_gamma 11.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Ti(OH)4 = Ti(OH)4 -llnl_gamma 3.4 log_k 0.000 #References = LogK/DGf: 01ste; DHf/DHr: Internal calculation; S°: 01ste; Cp: 01ste; V°: 01ste; 1.000WO4-2 = WO4-2 -llnl_gamma 5.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Xe = Xe -llnl_gamma 3.4 log_k 0.000 #References = LogK/DGf: 89bsho/hel, 01sch/sho; DHf/DHr: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho; 1.000Y+3 = Y+3 -llnl_gamma 9.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Zn+2 = Zn+2 -llnl_gamma 6.0 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 97asho/sas; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000ZrO+2 = ZrO+2 -llnl_gamma 5.7 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Ag+ = Ag+ -llnl_gamma 2.5 log_k 0.000 #References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot; 1.000Au+ = Au+ -llnl_gamma 4.1 log_k 0.000 #References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot; 1.000Br- = Br- -llnl_gamma 3.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Ce+3 = Ce+3 -llnl_gamma 9.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cl- = Cl- -llnl_gamma 3.0 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas; 1.000Co+2 = Co+2 -llnl_gamma 6.0 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 98ply/zha; S°: 98ply/zha; Cp: 97asho/sas; V°: 97asho/sas; 1.000CrO4-2 = CrO4-2 -llnl_gamma 4.0 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 04chi; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cu+2 = Cu+2 -llnl_gamma 6.0 log_k 0.000 #References = LogK/DGf: 89cox/wag; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Dy+3 = Dy+3 -llnl_gamma 8.2 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Er+3 = Er+3 -llnl_gamma 8.2 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Eu+3 = Eu+3 -llnl_gamma 8.2 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Fe+2 = Fe+2 -llnl_gamma 6.0 log_k 0.000 #References = LogK/DGf: 95par/kho; DHf/DHr: 95par/kho; S°: Internal calculation; Cp: 88sho/hel,85hel,89bsho/hel,97asho/sas; V°: 88sho/hel,85hel,89bsho/hel,97asho/sas; 1.000Gd+3 = Gd+3 -llnl_gamma 4.5 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000H2AsO4- = H2AsO4- -llnl_gamma 3.6 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000H2PO4- = H2PO4- -llnl_gamma 4.2 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas; 1.000HCO3- = HCO3- -llnl_gamma 4.2 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas; 1.000Hg+2 = Hg+2 -llnl_gamma 5.0 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 88sho/hel; V°: 88sho/hel; 1.000Ho+3 = Ho+3 -llnl_gamma 8.2 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000I- = I- -llnl_gamma 3.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000La+3 = La+3 -llnl_gamma 9.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Lu+3 = Lu+3 -llnl_gamma 8.2 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Mn+2 = Mn+2 -llnl_gamma 6.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Nd+3 = Nd+3 -llnl_gamma 9.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000NH3 = NH3 -llnl_gamma 3.4 log_k 0.000 #References = LogK/DGf: 89bsho/hel, 01sch/sho; DHf/DHr: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho; 1.000Pm+3 = Pm+3 -llnl_gamma 8.2 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Pr+3 = Pr+3 -llnl_gamma 9.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Rh+2 = Rh+2 -llnl_gamma 5.7 log_k 0.000 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000RuO4-2 = RuO4-2 -llnl_gamma 4.7 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000SeO3-2 = SeO3-2 -llnl_gamma 4.7 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Sm+3 = Sm+3 -llnl_gamma 9.0 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000SO4-2 = SO4-2 -llnl_gamma 4.0 log_k 0.000 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas; 1.000Tb+3 = Tb+3 -llnl_gamma 8.2 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Tl+ = Tl+ -llnl_gamma 2.5 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Tm+3 = Tm+3 -llnl_gamma 8.2 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000UO2+2 = UO2+2 -llnl_gamma 5.7 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000VO+2 = VO+2 -llnl_gamma 5.7 log_k 0.000 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Yb+3 = Yb+3 -llnl_gamma 9.0 log_k 0.000 #References = LogK/DGf: 00deb/cas; DHf/DHr: Internal calculation; S°: 00deb/cas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000Ag+ + 1.000H+ = Ag+2 + 0.500H2O -llnl_gamma 5.7 log_k -12.127 delta_h 23.455 #kJ/mol #88sho/hel -analytic -2.0657583E+2 -3.7349701E-2 9.0186154E+3 7.3591766E+1 -6.0111045E+5 #References = LogK/DGf: 88sho/hel; DHf/DHr: Internal calculation; S°: 88sho/hel; Cp: 88sho/hel; V°: 88sho/hel; 1.000H2AsO4- + 1.000H+ = AsH3 + 2.000O2 -llnl_gamma 3.4 log_k -155.191 delta_h 953.551 #kJ/mol #Internal calculation -analytic 1.0159192E+3 1.6805906E-1 -1.0965043E+5 -3.6367028E+2 4.1273516E+6 #References = LogK/DGf: 92wol; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho; 0.500O2 + 1.000Au+ + 2.000H+ = Au+3 + 1.000H2O -llnl_gamma 8.2 log_k -4.356 delta_h -59.461 #kJ/mol #97asho/sas -analytic -4.7983001E+2 -7.7833649E-2 2.7682E+4 1.7039826E+2 -1.4050021E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.500O2 + 3.000Br- + 2.000H+ = Br3- + 1.000H2O -llnl_gamma 3.6 log_k 7.064 delta_h -45.557 #kJ/mol #88sho/hel -analytic 1.3619685E+3 2.2240213E-1 -7.2926898E+4 -4.9636214E+2 4.5868973E+6 #References = LogK/DGf: 88sho/hel; DHf/DHr: Internal calculation; S°: 88sho/hel; Cp: 88sho/hel; V°: 88sho/hel; 0.500O2 + 1.000Br- = BrO- -llnl_gamma 3.6 log_k -10.916 delta_h 33.468 #kJ/mol #97asho/sas -analytic -1.2104624E+2 -1.7516524E-2 5.9243731E+3 4.1227804E+1 -5.807676E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.500O2 + 1.000Br- = BrO3- -llnl_gamma 3.5 log_k -17.143 delta_h 72.640 #kJ/mol #97asho/sas -analytic -1.8193484E+2 -2.9510238E-2 9.4046739E+3 6.2639673E+1 -1.1512341E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 2.000O2 + 1.000Br- = BrO4- -llnl_gamma 3.6 log_k -33.102 delta_h 158.659 #kJ/mol #97asho/sas -analytic -1.9678304E+2 -3.3029409E-2 6.1026016E+3 6.7668921E+1 -1.2784481E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Ce+3 + 0.500H2O = Ce+2 + 0.250O2 + 1.000H+ -llnl_gamma 5.7 log_k -85.049 delta_h 546.025 #kJ/mol #97asho/sas -analytic 2.9075419E+2 4.7815997E-2 -4.4743395E+4 -1.0192219E+2 1.0854253E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000Ce+3 + 1.000H+ = Ce+4 + 0.500H2O -llnl_gamma 11.0 log_k -8.042 delta_h -15.531 #kJ/mol #97asho/sas -analytic -1.0233128E+2 -1.8184502E-2 2.4367778E+3 3.602259E+1 2.1354773E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000HCO3- + 1.000H+ + 1.000H2O = CH4 + 2.000O2 -llnl_gamma 3.4 log_k -144.119 delta_h 863.586 #kJ/mol #01sch/sho -analytic 1.1299846E+3 1.8230999E-1 -1.1241163E+5 -4.0551385E+2 4.6214962E+6 #References = LogK/DGf: 01sch/sho; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho; 0.500O2 + 1.000Cl- = ClO- -llnl_gamma 3.6 log_k -15.088 delta_h 65.482 #kJ/mol #97asho/sas -analytic -1.2718166E+2 -1.754872E-2 4.9174081E+3 4.3632661E+1 -6.3414497E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.250O2 + 1.000Cl- + 1.000H+ = ClO2 + 0.500H2O -llnl_gamma 3.4 log_k -19.629 delta_h 114.140 #kJ/mol #01sch/sho -analytic 1.7204718E+2 4.2430351E-2 -9.6430135E+3 -6.8520713E+1 -2.163155E+5 #References = LogK/DGf: 01sch/sho; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho; 1.000O2 + 1.000Cl- = ClO2- -llnl_gamma 4.2 log_k -23.094 delta_h 112.653 #kJ/mol #97asho/sas -analytic -1.6180729E+2 -2.4105415E-2 5.185463E+3 5.5981341E+1 -8.9021873E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.500O2 + 1.000Cl- = ClO3- -llnl_gamma 3.5 log_k -17.247 delta_h 81.246 #kJ/mol #97asho/sas -analytic -1.7354206E+2 -2.7187912E-2 8.4148495E+3 5.9993555E+1 -1.090937E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 2.000O2 + 1.000Cl- = ClO4- -llnl_gamma 3.5 log_k -15.695 delta_h 62.602 #kJ/mol #89cox/wag -analytic -2.6466887E+2 -4.0304843E-2 1.5479657E+4 9.1600227E+1 -1.5633429E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas; 1.000HCO3- + 1.000NH3 = CN- + 0.500O2 + 2.000H2O -llnl_gamma 3.0 log_k -56.046 delta_h 344.462 #kJ/mol #97asho/sas -analytic 1.1852296E+2 1.7256275E-2 -2.6323686E+4 -4.0118961E+1 6.9760155E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000HCO3- + 1.000H+ = CO + 0.500O2 + 1.000H2O -llnl_gamma 3.4 log_k -41.717 delta_h 277.073 #kJ/mol #93sho/mck, 01sch/sho -analytic 8.5353613E+2 1.3933213E-1 -6.4626271E+4 -3.0647727E+2 3.4064568E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 93sho/mck, 01sch/sho; S°: 82wag/eva; Cp: 93sho/mck, 01sch/sho; V°: 93sho/mck, 01sch/sho; 1.000CrO4-2 + 4.000H+ = Cr+2 + 1.000O2 + 2.000H2O -llnl_gamma 5.7 log_k -18.750 delta_h 137.506 #kJ/mol #04chi -analytic 1.1149548E+3 1.8590414E-1 -7.1904098E+4 -4.0280473E+2 4.3335266E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000CrO4-2 + 5.000H+ = Cr+3 + 0.750O2 + 2.500H2O -llnl_gamma 9.0 log_k 9.128 delta_h -85.176 #kJ/mol #04chi -analytic 8.890801E+2 1.4807745E-1 -4.8673588E+4 -3.239627E+2 3.6246194E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cu+2 + 0.500H2O = Cu+ + 0.250O2 + 1.000H+ -llnl_gamma 4.1 log_k -18.665 delta_h 145.276 #kJ/mol #Internal calculation -analytic 2.6404224E+2 4.2104999E-2 -2.1941255E+4 -9.3632203E+1 8.9047513E+5 #References = LogK/DGf: 95bev/pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 97asho/sas; V°: 97asho/sas; 1.000Dy+3 + 0.500H2O = Dy+2 + 0.250O2 + 1.000H+ -llnl_gamma 5.7 log_k -62.473 delta_h 418.654 #kJ/mol #97asho/sas -analytic 2.5338772E+2 4.1769908E-2 -3.5297323E+4 -8.8675977E+1 8.4420174E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000Dy+3 + 1.000H+ = Dy+4 + 0.500H2O -llnl_gamma 11.6 log_k -54.001 delta_h 249.675 #kJ/mol #97asho/sas -analytic -1.3014124E+2 -2.2813493E-2 -9.0016229E+3 4.5808809E+1 -1.933883E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Er+3 + 0.500H2O = Er+2 + 0.250O2 + 1.000H+ -llnl_gamma 5.7 log_k -71.562 delta_h 472.033 #kJ/mol #97asho/sas -analytic 2.6052089E+2 4.2799355E-2 -3.862162E+4 -9.1065942E+1 8.9169235E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000Er+3 + 1.000H+ = Er+4 + 0.500H2O -llnl_gamma 11.6 log_k -75.112 delta_h 373.168 #kJ/mol #97asho/sas -analytic -1.2530275E+2 -2.2044431E-2 -1.5788749E+4 4.4287713E+1 1.1753294E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Eu+3 + 0.500H2O = Eu+2 + 0.250O2 + 1.000H+ -llnl_gamma 5.7 log_k -27.435 delta_h 217.412 #kJ/mol #97asho/sas -analytic 2.6616359E+2 4.3567406E-2 -2.5786489E+4 -9.3179264E+1 9.3036057E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000Eu+3 + 1.000H+ = Eu+4 + 0.500H2O -llnl_gamma 11.6 log_k -82.808 delta_h 412.235 #kJ/mol #97asho/sas -analytic -1.2383718E+2 -2.1933829E-2 -1.8160786E+4 4.3614331E+1 4.9714097E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000Fe+2 + 1.000H+ = Fe+3 + 0.500H2O -llnl_gamma 9.0 log_k 8.490 delta_h -98.882 #kJ/mol #95par/kho -analytic -2.1237347E+2 -3.5300742E-2 1.6059769E+4 7.4699184E+1 -6.5023697E+5 #References = LogK/DGf: 95par/kho; DHf/DHr: 95par/kho; S°: Internal calculation; Cp: 88sho/hel,89bsho/hel,97asho/sas; V°: 88sho/hel,89bsho/hel,97asho/sas; 1.000Gd+3 + 0.500H2O = Gd+2 + 0.250O2 + 1.000H+ -llnl_gamma 5.7 log_k -86.376 delta_h 544.603 #kJ/mol #97asho/sas -analytic 2.6214444E+2 4.3067982E-2 -4.2833109E+4 -9.2162612E+1 9.2020863E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000Gd+3 + 1.000H+ = Gd+4 + 0.500H2O -llnl_gamma 11.6 log_k -104.366 delta_h 523.048 #kJ/mol #97asho/sas -analytic -1.2786149E+2 -2.2564553E-2 -2.3882817E+4 4.4446215E+1 3.0823378E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000H2O = H2 + 0.500O2 -CO2_llnl_gamma log_k -46.072 delta_h 275.563 #kJ/mol #82wag/eva -analytic 1.9265056E+2 3.3721081E-2 -2.6491918E+4 -6.8822847E+1 9.2233489E+5 #References = LogK/DGf: 82wag/eva; DHf/DHr: Internal calculation; S°: 82wag/eva; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho; 1.000H2AsO4- = H2AsO3- + 0.500O2 -llnl_gamma 3.6 log_k -30.565 delta_h 194.451 #kJ/mol #Internal calculation -analytic 2.9326858E+2 4.8837428E-2 -2.8918064E+4 -1.0408625E+2 1.4357821E+6 #References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app; 1.000H2PO4- = H2PO2- + 1.000O2 -llnl_gamma 3.6 log_k -112.399 delta_h 676.548 #kJ/mol #97asho/sas -analytic 1.8769881E+2 3.1944112E-2 -4.739622E+4 -6.5257081E+1 9.6182174E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000H2PO4- = H2PO3- + 0.500O2 -llnl_gamma 3.6 log_k -52.346 delta_h 327.001 #kJ/mol #97asho/sas -analytic 1.659843E+2 2.7516639E-2 -2.7411128E+4 -5.7969451E+1 7.8621025E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Hg+2 + 1.000H2O = Hg + 0.500O2 + 2.000H+ -llnl_gamma 3.4 log_k -20.650 delta_h 122.056 #kJ/mol #Internal calculation -analytic 5.567368E+2 8.8981012E-2 -4.1241387E+4 -1.9964099E+2 2.5251708E+6 #References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app; 2.000Hg+2 + 1.000H2O = Hg2+2 + 0.500O2 + 2.000H+ -llnl_gamma 5.7 log_k -12.202 delta_h 106.213 #kJ/mol #89cox/wag -analytic 4.3669923E+2 6.636136E-2 -2.950441E+4 -1.5596628E+2 1.4400152E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas; 1.000Ho+3 + 0.500H2O = Ho+2 + 0.250O2 + 1.000H+ -llnl_gamma 5.7 log_k -68.776 delta_h 452.641 #kJ/mol #97asho/sas -analytic 2.5769347E+2 4.248515E-2 -3.7417222E+4 -9.0309823E+1 8.7355517E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000H+ + 1.000Ho+3 = Ho+4 + 0.500H2O -llnl_gamma 11.6 log_k -74.452 delta_h 365.036 #kJ/mol #97asho/sas -analytic -1.276532E+2 -2.2327255E-2 -1.5242785E+4 4.4848358E+1 7.3282983E+2 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000H+ + 1.000SO4-2 = HS- + 2.000O2 -llnl_gamma 3.5 log_k -138.286 delta_h 868.772 #kJ/mol #89cox/wag -analytic 1.0441949E+3 1.6867211E-1 -1.0699853E+5 -3.7241269E+2 4.2326498E+6 #References = LogK/DGf: 89cox/wag; DHf/DHr: Internal calculation; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas; 1.000H+ + 1.000SeO3-2 = HSe- + 1.500O2 -llnl_gamma 3.6 log_k -76.843 delta_h 507.180 #kJ/mol #97asho/sas -analytic 9.3740801E+2 1.5397659E-1 -8.0712835E+4 -3.3560865E+2 3.6442044E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.500O2 + 1.000H+ + 1.000SO4-2 = HSO5- -llnl_gamma 3.6 log_k -17.206 delta_h 139.702 #kJ/mol #97asho/sas -analytic 8.9276273E+2 1.4042283E-1 -5.7825135E+4 -3.2083246E+2 3.1992215E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.500O2 + 2.000H+ + 3.000I- = I3- + 1.000H2O -llnl_gamma 3.6 log_k 24.722 delta_h -160.570 #kJ/mol #88sho/hel -analytic 1.2968773E+3 2.1633197E-1 -6.2986978E+4 -4.745428E+2 4.3406424E+6 #References = LogK/DGf: 88sho/hel; DHf/DHr: Internal calculation; S°: 88sho/hel; Cp: 88sho/hel; V°: 88sho/hel; 0.500O2 + 1.000I- = IO- -llnl_gamma 3.6 log_k -0.903 delta_h -44.643 #kJ/mol #97asho/sas -analytic -1.9219512E+2 -2.7455202E-2 1.416178E+4 6.5360203E+1 -8.6678728E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.500O2 + 1.000I- = IO3- -llnl_gamma 4.2 log_k 17.682 delta_h -146.163 #kJ/mol #97asho/sas -analytic -2.5165335E+2 -3.9000199E-2 2.4364112E+4 8.6615705E+1 -1.3404455E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 2.000O2 + 1.000I- = IO4- -llnl_gamma 3.5 log_k 6.964 delta_h -70.413 #kJ/mol #97asho/sas -analytic -1.9590107E+2 -3.1524372E-2 1.8212262E+4 6.6978074E+1 -1.2936854E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000La+3 + 0.500H2O = La+2 + 0.250O2 + 1.000H+ -llnl_gamma 5.7 log_k -84.756 delta_h 547.220 #kJ/mol #97asho/sas -analytic 2.6287551E+2 4.2546551E-2 -4.2906034E+4 -9.1684447E+1 9.2966642E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000H+ + 1.000Lu+3 = Lu+4 + 0.500H2O -llnl_gamma 11.6 log_k -115.134 delta_h 603.486 #kJ/mol #97asho/sas -analytic -1.2896046E+2 -2.2767194E-2 -2.7489803E+4 4.568381E+1 -2.0041519E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000H+ + 1.000Mn+2 = Mn+3 + 0.500H2O -llnl_gamma 8.2 log_k -4.011 delta_h -46.901 #kJ/mol #97asho/sas -analytic -2.3287768E+2 -3.8806757E-2 1.4675899E+4 8.0810977E+1 -7.7758964E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.250O2 + 1.000Mn+2 + 1.500H2O = MnO4- + 3.000H+ -llnl_gamma 3.5 log_k -20.212 delta_h 121.692 #kJ/mol #97asho/sas -analytic -3.2811384E+2 -5.8736046E-2 1.5072728E+4 1.1872115E+2 -1.6808293E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000O2 + 1.000Mn+2 + 2.000H2O = MnO4-2 + 4.000H+ -llnl_gamma 4.7 log_k -32.328 delta_h 149.866 #kJ/mol #97asho/sas -analytic -1.1203039E+3 -1.8684747E-1 5.7477125E+4 4.0431449E+2 -4.4041732E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.500O2 + 2.000NH3 = N2 + 3.000H2O -llnl_gamma 3.4 log_k 116.443 delta_h -686.530 #kJ/mol #89bsho/hel, 01sch/sho -analytic 7.0576158E+1 1.0950681E-3 3.0221983E+4 -2.4321491E+1 3.8731568E+5 #References = LogK/DGf: 89bsho/hel, 01sch/sho; DHf/DHr: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho; 1.000Nd+3 + 0.500H2O = Nd+2 + 0.250O2 + 1.000H+ -llnl_gamma 5.7 log_k -65.771 delta_h 434.239 #kJ/mol #97asho/sas -analytic 2.696062E+2 4.4271549E-2 -3.7629698E+4 -9.4383931E+1 9.9389245E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000H+ + 1.000Nd+3 = Nd+4 + 0.500H2O -llnl_gamma 11.6 log_k -61.771 delta_h 293.526 #kJ/mol #97asho/sas -analytic -1.1141075E+2 -1.9899192E-2 -1.3023676E+4 3.9410268E+1 1.5432344E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.500O2 + 1.000NH3 = NO2- + 1.000H+ + 1.000H2O -llnl_gamma 3.0 log_k 46.860 delta_h -290.816 #kJ/mol #97asho/sas -analytic -7.8034587E+2 -1.3125158E-1 6.0315794E+4 2.8208575E+2 -3.0192075E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 2.000O2 + 1.000NH3 = NO3- + 1.000H+ + 1.000H2O -llnl_gamma 3.0 log_k 62.095 delta_h -386.885 #kJ/mol #97asho/sas -analytic -8.298251E+2 -1.3990188E-1 6.8801778E+4 2.9915423E+2 -3.3217568E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 2.000H2O = O2 + 4.000e- + 4.000H+ -CO2_llnl_gamma log_k -85.991 delta_h 559.524 #kJ/mol #By convention -analytic 2.1432049E+2 3.0024652E-2 -4.2123282E+4 -7.2110967E+1 9.2916949E+5 #References = LogK/DGf: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho; 1.000H+ + 1.000H2PO4- = PH3 + 2.000O2 -llnl_gamma 3.4 log_k -209.460 delta_h 1267.173 #kJ/mol #01sch/sho -analytic 1.0769538E+3 1.7678067E-1 -1.3003273E+5 -3.8505428E+2 4.4271547E+6 #References = LogK/DGf: 01sch/sho; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho; 0.500H2O + 1.000Pm+3 = Pm+2 + 0.250O2 + 1.000H+ -llnl_gamma 5.7 log_k -69.363 delta_h 453.618 #kJ/mol #97asho/sas -analytic 2.8289543E+2 4.6479471E-2 -3.9433524E+4 -9.926782E+1 1.0468456E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000H+ + 1.000Pm+3 = Pm+4 + 0.500H2O -llnl_gamma 11.6 log_k -69.248 delta_h 335.579 #kJ/mol #97asho/sas -analytic -1.0627208E+2 -1.8767757E-2 -1.5494016E+4 3.7442915E+1 1.721935E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.500H2O + 1.000Pr+3 = Pr+2 + 0.250O2 + 1.000H+ -llnl_gamma 5.7 log_k -72.735 delta_h 476.108 #kJ/mol #97asho/sas -analytic 2.8312534E+2 4.6471003E-2 -4.0327333E+4 -9.9314903E+1 1.0037468E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000H+ + 1.000Pr+3 = Pr+4 + 0.500H2O -llnl_gamma 11.6 log_k -44.399 delta_h 195.239 #kJ/mol #97asho/sas -analytic -1.1184137E+2 -1.965722E-2 -7.6440681E+3 3.9434097E+1 1.2128573E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000H+ + 1.000Rh+2 = Rh+3 + 0.500H2O -llnl_gamma 8.2 log_k 3.356 delta_h -71.111 #kJ/mol #97asho/sas,98sas/sho -analytic -2.3440826E+2 -3.8914188E-2 1.6283112E+4 8.2344542E+1 -8.0035213E+5 #References = LogK/DGf: 97asho/sas,98sas/sho; DHf/DHr: Internal calculation; S°: 97asho/sas,98sas/sho; Cp: 97asho/sas,98sas/sho; V°: 97asho/sas,98sas/sho; 4.000H+ + 1.000RuO4-2 = Ru+2 + 1.000O2 + 2.000H2O -llnl_gamma 5.7 log_k 1.395 delta_h 24.827 #kJ/mol #98sas/sho -analytic 1.1196807E+3 1.8646373E-1 -6.5402676E+4 -4.0488377E+2 4.208257E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 5.000H+ + 1.000RuO4-2 = Ru+3 + 0.750O2 + 2.500H2O -llnl_gamma 8.2 log_k 18.832 delta_h -127.532 #kJ/mol #98sas/sho -analytic 8.9598641E+2 1.4928792E-1 -4.5813524E+4 -3.2628208E+2 3.4987171E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 2.000H+ + 2.000SO4-2 = S2O3-2 + 2.000O2 + 1.000H2O -llnl_gamma 4.7 log_k -133.412 delta_h 856.296 #kJ/mol #04chi -analytic 1.733264E+3 2.7921733E-1 -1.4472362E+5 -6.2187136E+2 6.6012742E+6 #References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 2.000H+ + 2.000SO4-2 = S2O4-2 + 1.500O2 + 1.000H2O -llnl_gamma 5.0 log_k -118.280 delta_h 761.149 #kJ/mol #04chi -analytic 1.6894585E+3 2.7120058E-1 -1.3662141E+5 -6.0678585E+2 6.3189982E+6 #References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 2.000H+ + 2.000SO4-2 = S2O6-2 + 0.500O2 + 1.000H2O -llnl_gamma 4.7 log_k -50.822 delta_h 353.589 #kJ/mol #97asho/sas -analytic 1.5608113E+3 2.4832074E-1 -1.0652801E+5 -5.6213548E+2 5.5642127E+6 #References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.500O2 + 2.000H+ + 2.000SO4-2 = S2O8-2 + 1.000H2O -llnl_gamma 4.7 log_k -22.379 delta_h 194.179 #kJ/mol #97asho/sas -analytic 1.5275233E+3 2.4060196E-1 -9.4877209E+4 -5.5036229E+2 5.1929459E+6 #References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.500O2 + 1.000SeO3-2 = SeO4-2 -llnl_gamma 4.7 log_k 13.984 delta_h -83.838 #kJ/mol #97asho/sas -analytic -6.0078355E+1 -1.0501177E-2 8.5380155E+3 2.1213969E+1 -3.4988829E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.500H2O + 1.000Sm+3 = Sm+2 + 0.250O2 + 1.000H+ -llnl_gamma 5.7 log_k -47.959 delta_h 326.954 #kJ/mol #97asho/sas -analytic 2.7485159E+2 4.485272E-2 -3.2509759E+4 -9.6492889E+1 1.0329494E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000H+ + 1.000Sm+3 = Sm+4 + 0.500H2O -llnl_gamma 11.6 log_k -65.876 delta_h 315.460 #kJ/mol #97asho/sas -analytic -1.1123676E+2 -1.984073E-2 -1.4161055E+4 3.9233434E+1 1.5042396E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000SO4-2 = SO3-2 + 0.500O2 -llnl_gamma 4.5 log_k -46.615 delta_h 272.213 #kJ/mol #04chi -analytic 9.6718748E+1 1.4160691E-2 -2.0794588E+4 -3.379293E+1 5.1632043E+5 #References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 04chi; Cp: 97asho/sas; V°: 97asho/sas; 0.500H2O + 1.000Tb+3 = Tb+2 + 0.250O2 + 1.000H+ -llnl_gamma 5.7 log_k -80.211 delta_h 519.284 #kJ/mol #97asho/sas -analytic 2.6941166E+2 4.4396063E-2 -4.1621672E+4 -9.4441058E+1 9.2702692E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000H+ + 1.000Tb+3 = Tb+4 + 0.500H2O -llnl_gamma 11.6 log_k -30.765 delta_h 115.296 #kJ/mol #97asho/sas -analytic -1.2122705E+2 -2.1217186E-2 -2.6720181E+3 4.2547035E+1 4.1770292E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.500O2 + 2.000H+ + 1.000Tl+ = Tl+3 + 1.000H2O -llnl_gamma 8.2 log_k -0.281 delta_h -88.585 #kJ/mol #Internal calculation -analytic -4.3040062E+2 -7.0560248E-2 2.5654218E+4 1.5265599E+2 -1.1222464E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.500H2O + 1.000Tm+3 = Tm+2 + 0.250O2 + 1.000H+ -llnl_gamma 5.7 log_k -59.834 delta_h 403.343 #kJ/mol #97asho/sas -analytic 2.5313548E+2 4.188993E-2 -3.4630377E+4 -8.8536341E+1 8.6845097E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000H+ + 1.000Tm+3 = Tm+4 + 0.500H2O -llnl_gamma 11.6 log_k -73.646 delta_h 363.428 #kJ/mol #97asho/sas -analytic -1.2502148E+2 -2.192915E-2 -1.5289373E+4 4.4080624E+1 1.0675332E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000H+ + 1.000UO2+2 = U+3 + 0.750O2 + 0.500H2O -llnl_gamma 8.2 log_k -65.059 delta_h 377.959 #kJ/mol #97asho/sas -analytic -1.2165579E+2 -1.6192696E-2 -1.3049369E+4 4.4151415E+1 -3.6065373E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 2.000H+ + 1.000UO2+2 = U+4 + 0.500O2 + 1.000H2O -llnl_gamma 11.6 log_k -33.959 delta_h 136.009 #kJ/mol #97asho/sas -analytic -2.4123228E+2 -3.7333955E-2 2.6508413E+3 8.5983925E+1 -2.8871609E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.500H2O + 1.000UO2+2 = UO2+ + 0.250O2 + 1.000H+ -llnl_gamma 4.1 log_k -20.024 delta_h 133.821 #kJ/mol #97asho/sas -analytic 8.7871001E+1 1.6321781E-2 -9.3669369E+3 -3.2601192E+1 -6.0038674E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000VO+2 = V+2 + 0.500O2 -llnl_gamma 5.7 log_k -41.545 delta_h 254.628 #kJ/mol #97asho/sas -analytic -1.8041661E+0 6.8848917E-4 -1.1973287E+4 8.7119464E-1 -1.7271618E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000H+ + 1.000VO+2 = V+3 + 0.250O2 + 0.500H2O -llnl_gamma 8.2 log_k -15.722 delta_h 79.603 #kJ/mol #97asho/sas -analytic -1.8237496E+2 -2.9049355E-2 6.1110664E+3 6.5528679E+1 -6.5152594E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 0.500H2O + 1.000VO+2 = VO2+ + 1.000H+ -llnl_gamma 4.1 log_k 4.581 delta_h -17.379 #kJ/mol #97asho/sas -analytic -1.2924216E+0 -1.0283206E-3 4.7835316E+3 -1.1847103E+0 -6.16289E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.500H2O + 1.000Yb+3 = Yb+2 + 0.250O2 + 1.000H+ -llnl_gamma 5.7 log_k -39.298 delta_h 279.889 #kJ/mol #97asho/sas -analytic 2.571531E+2 4.2349491E-2 -2.8687646E+4 -9.0196375E+1 9.1791424E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.250O2 + 1.000H+ + 1.000Yb+3 = Yb+4 + 0.500H2O -llnl_gamma 11.6 log_k -93.279 delta_h 473.623 #kJ/mol #97asho/sas -analytic -1.2230787E+2 -2.145478E-2 -2.1306744E+4 4.3034565E+1 3.5807202E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 2.000CH4 + 1.000H2O + 2.000Hg+2 = (CH3Hg)2OH+ + 3.000H+ -llnl_gamma 4.1 log_k 3.849 delta_h -51.052 #kJ/mol #Internal calculation -analytic 1.9165425E+2 1.7962117E-2 -1.9485039E+3 -7.3196661E+1 -4.8935722E+5 #References = LogK/DGf: 18bla/bur; DHf/DHr: Internal calculation; S°: 03ald/gan; V°: Default value; 1.000Ag+ + 1.000HCO3- = Ag(CO3)- + 1.000H+ -llnl_gamma 3.6 log_k -7.625 delta_h -7.695 #kJ/mol #97sve/sho -analytic 8.4651911E+1 7.6902515E-3 -5.3377686E+3 -3.2488438E+1 3.3101911E+5 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; Cp: 97sve/sho; V°: 97sve/sho; 1.000Ag+ + 2.000HCO3- = Ag(CO3)2-3 + 2.000H+ -llnl_gamma 6.7 log_k -18.473 delta_h 1.186 #kJ/mol #97sve/sho -analytic -4.5906328E+2 -8.623166E-2 2.0926686E+4 1.6500764E+2 -1.0835008E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Ag+ + 2.000HS- = Ag(HS)2- -llnl_gamma 4.5 log_k 17.586 delta_h -101.091 #kJ/mol #01aki/zot -analytic 1.0878147E+3 1.6776771E-1 -5.5051572E+4 -3.9447291E+2 3.5995721E+6 #References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot; 1.000Ag+ + 2.000H2O = Ag(OH)2- + 2.000H+ -llnl_gamma 3.6 log_k -24.211 delta_h 93.954 #kJ/mol #01aki/zot -analytic -4.135193E+2 -7.571665E-2 1.805993E+4 1.4901557E+2 -1.548508E+6 #References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot; 1.000Ag+ + 1.000Cl- = AgCl -llnl_gamma 3.4 log_k 3.272 delta_h -17.432 #kJ/mol #01aki/zot -analytic 7.1369211E+2 1.1107321E-1 -3.7903218E+4 -2.5933589E+2 2.2491237E+6 #References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot; 1.000Ag+ + 2.000Cl- = AgCl2- -llnl_gamma 3.6 log_k 5.170 delta_h -23.043 #kJ/mol #01aki/zot, d'apres 97tag/zot -analytic 1.0064096E+3 1.5935015E-1 -5.3662662E+4 -3.6576419E+2 3.2264014E+6 #References = LogK/DGf: 01aki/zot, d'apres 97tag/zot; DHf/DHr: Internal calculation; S°: 01aki/zot, d'apres 97tag/zot; Cp: 01aki/zot, d'apres 97tag/zot; V°: 01aki/zot, d'apres 97tag/zot; 1.000Ag+ + 3.000Cl- = AgCl3-2 -llnl_gamma 4.7 log_k 5.169 delta_h -46.497 #kJ/mol #97sve/sho -analytic 8.7083926E+2 1.3955959E-1 -4.8314056E+4 -3.1621901E+2 3.3094144E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Ag+ + 4.000Cl- = AgCl4-3 -llnl_gamma 6.7 log_k 3.855 delta_h -67.726 #kJ/mol #97sve/sho -analytic 8.4377547E+2 1.3674414E-1 -4.7783794E+4 -3.072141E+2 3.5342408E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Ag+ + 1.000F- = AgF -llnl_gamma 3.4 log_k 0.440 delta_h 0.604 #kJ/mol #97sve/sho -analytic 8.2472648E+2 1.2774281E-1 -4.5563406E+4 -2.9905362E+2 2.7055728E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Ag+ + 1.000H2AsO3- = AgH2AsO3 -llnl_gamma 3.4 log_k 1.220 delta_h -12.252 #kJ/mol #Internal calculation -analytic 5.3646422E+2 7.7632696E-2 -2.7629696E+4 -1.9492959E+2 1.4774385E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Ag+ + 1.000HS- = AgHS -llnl_gamma 3.4 log_k 13.606 delta_h -74.337 #kJ/mol #01aki/zot -analytic 7.3849739E+2 1.1292029E-1 -3.6606291E+4 -2.6768104E+2 2.3626874E+6 #References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot; 1.000Ag+ + 1.000NO3- = AgNO3 -llnl_gamma 3.4 log_k -0.251 delta_h -3.135 #kJ/mol #97sve/sho -analytic 7.2342807E+2 1.0880002E-1 -4.1228371E+4 -2.6135579E+2 2.5664439E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Ag+ + 1.000H2O = AgO- + 2.000H+ -llnl_gamma 3.6 log_k -24.007 delta_h 111.633 #kJ/mol #97asho/sas -analytic -5.0250177E+2 -8.6787958E-2 2.2083116E+4 1.8205904E+2 -1.7947767E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Ag+ + 1.000H2O = AgOH + 1.000H+ -llnl_gamma 3.4 log_k -11.899 delta_h 49.628 #kJ/mol #01aki/zot -analytic 9.769342E+1 9.0769024E-3 -7.3868208E+3 -3.6006528E+1 1.3979518E+5 #References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot; 1.000Al+3 + 2.000H2O = Al(OH)2+ + 2.000H+ -llnl_gamma 4.1 log_k -10.592 delta_h 111.289 #kJ/mol #Internal calculation -analytic 3.0242922E+2 5.4151633E-2 -2.1423313E+4 -1.0832543E+2 9.5398614E+5 #References = LogK/DGf: 95pok/hel; DHf/DHr: Internal calculation; S°: 01tag/sch; Cp: 95pok/hel; V°: 95pok/hel; 1.000Al+3 + 1.000H2AsO4- = AlAsO4 + 2.000H+ -llnl_gamma 3.4 log_k -8.064 delta_h 65.458 #kJ/mol #Internal calculation -analytic 8.077854E+2 1.3844116E-1 -4.1721191E+4 -2.9797478E+2 1.7892057E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Al+3 + 1.000F- = AlF+2 -llnl_gamma 5.7 log_k 6.980 delta_h -0.346 #kJ/mol #Internal calculation -analytic 8.4659404E+2 1.3829049E-1 -4.6152377E+4 -3.0616536E+2 2.8034064E+6 #References = LogK/DGf: 01tag/sch; DHf/DHr: Internal calculation; S°: 01tag/sch; Cp: 01tag/sch; V°: 01tag/sch; 1.000Al+3 + 2.000F- = AlF2+ -llnl_gamma 4.1 log_k 12.500 delta_h 0.419 #kJ/mol #Internal calculation -analytic 1.7120205E+3 2.7760152E-1 -9.3606823E+4 -6.1919223E+2 5.6733803E+6 #References = LogK/DGf: 01tag/sch; DHf/DHr: Internal calculation; S°: 01tag/sch; Cp: 01tag/sch; V°: 01tag/sch; 1.000Al+3 + 3.000F- = AlF3 -llnl_gamma 3.4 log_k 16.550 delta_h 0.615 #kJ/mol #Internal calculation -analytic 2.565441E+3 4.1575855E-1 -1.401093E+5 -9.2872423E+2 8.4579433E+6 #References = LogK/DGf: 01tag/sch; DHf/DHr: Internal calculation; S°: 01tag/sch; Cp: 01tag/sch; V°: 01tag/sch; 1.000Al+3 + 4.000F- = AlF4- -llnl_gamma 3.6 log_k 18.930 delta_h 0.823 #kJ/mol #Internal calculation -analytic 2.6280275E+3 4.2423088E-1 -1.4521848E+5 -9.4931749E+2 8.9344578E+6 #References = LogK/DGf: 01tag/sch; DHf/DHr: Internal calculation; S°: 01tag/sch; Cp: 01tag/sch; V°: 01tag/sch; 1.000Al+3 + 1.000H2AsO3- = AlH2AsO3+2 -llnl_gamma 5.7 log_k 7.164 delta_h -48.031 #kJ/mol #Internal calculation -analytic 6.4521956E+2 9.4795631E-2 -3.1633386E+4 -2.3465102E+2 1.8141781E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Al+3 + 1.000H2AsO4- = AlH2AsO4+2 -llnl_gamma 5.7 log_k 2.506 delta_h -19.575 #kJ/mol #Internal calculation -analytic 8.4061174E+2 1.276049E-1 -4.6025869E+4 -3.0453835E+2 2.8251201E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Al+3 + 1.000H2PO4- = AlH2PO4+2 -llnl_gamma 5.7 log_k 3.098 #References = LogK/DGf: 79lan; #References = LogK/DGf: 79lan; V°: Default value; 1.000Al+3 + 1.000H4SiO4 = AlH3SiO4+2 + 1.000H+ -llnl_gamma 5.7 log_k -2.380 delta_h 75.017 #kJ/mol #Internal calculation -analytic -9.904345E+0 1.4796271E-2 3.7896393E+3 4.3274439E-1 -9.4835712E+5 #References = LogK/DGf: 01tag/sch, d'apres 98sal/pok; DHf/DHr: Internal calculation; S°: 01tag/sch, d'apres 98sal/pok; Cp: 01tag/sch, d'apres 98sal/pok; V°: 01tag/sch, d'apres 98sal/pok; 1.000Al+3 + 1.000H2AsO4- = AlHAsO4+ + 1.000H+ -llnl_gamma 4.1 log_k -0.495 delta_h 11.152 #kJ/mol #Internal calculation -analytic 7.5176456E+2 1.1972102E-1 -3.8060264E+4 -2.7529115E+2 1.8570525E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Al+3 + 1.000H2PO4- = AlHPO4+ + 1.000H+ -llnl_gamma 4.1 log_k 0.188 #References = LogK/DGf: 79lan; #References = LogK/DGf: 79lan; V°: Default value; 1.000Al+3 + 2.000H2O = AlO2- + 4.000H+ -llnl_gamma 3.6 log_k -22.872 delta_h 180.865 #kJ/mol #Internal calculation -analytic -1.7804863E+2 -2.6890119E-2 1.8671726E+3 6.6832788E+1 -7.5043954E+5 #References = LogK/DGf: 95pok/hel; DHf/DHr: Internal calculation; S°: 95pok/hel; Cp: 95pok/hel; V°: 95pok/hel; 1.000Al+3 + 1.000H2O = AlOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -4.951 delta_h 49.758 #kJ/mol #Internal calculation -analytic 1.6145683E+2 3.018521E-2 -1.1505645E+4 -5.8055033E+1 6.0767162E+5 #References = LogK/DGf: 95pok/hel; DHf/DHr: Internal calculation; S°: 95pok/hel; Cp: 95pok/hel; V°: 95pok/hel; 1.000Al+3 + 1.000SO4-2 = AlSO4+ -llnl_gamma 4.1 log_k 3.170 delta_h 18.869 #kJ/mol #Internal calculation -analytic 2.3192944E+3 3.6142931E-1 -1.3493481E+5 -8.3585467E+2 8.6188288E+6 #References = LogK/DGf: 01tag/sch; DHf/DHr: Internal calculation; S°: 01tag/sch; Cp: 01tag/sch; V°: 01tag/sch; 1.000H2AsO3- + 1.000H+ = As(OH)3 -llnl_gamma 3.4 log_k 9.256 delta_h -28.176 #kJ/mol #Internal calculation -analytic 1.4914501E+1 1.5860089E-2 4.9992329E+3 -8.7541689E+0 -4.8834206E+5 #References = LogK/DGf: 08per/pok; DHf/DHr: Internal calculation; S°: 08per/pok; Cp: 08per/pok; V°: 08per/pok; 1.000H2AsO4- = AsO4-3 + 2.000H+ -llnl_gamma 6.7 log_k -18.460 delta_h 21.915 #kJ/mol #Internal calculation -analytic -1.5040869E+3 -2.4299555E-1 8.2186102E+4 5.4181996E+2 -5.1803237E+6 #References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Au+ + 2.000HS- = Au(HS)2- -llnl_gamma 3.6 log_k 31.536 delta_h -167.409 #kJ/mol #01aki/zot -analytic 9.748226E+2 1.4920268E-1 -4.5421601E+4 -3.5238686E+2 3.2474397E+6 #References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot; 1.000Au+ + 2.000H2O = Au(OH)2- + 2.000H+ -llnl_gamma 3.6 log_k -5.721 delta_h -13.559 #kJ/mol #01aki/zot -analytic -3.494866E+2 -6.242185E-2 2.0985378E+4 1.2457024E+2 -1.4445224E+6 #References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot; 1.000Au+ + 1.000Cl- = AuCl -llnl_gamma 3.4 log_k 7.933 delta_h -30.688 #kJ/mol #01aki/zot -analytic 6.4840507E+2 1.032363E-1 -3.2991539E+4 -2.3553558E+2 1.9751403E+6 #References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot; 1.000Au+ + 2.000Cl- = AuCl2- -llnl_gamma 3.6 log_k 9.581 delta_h -50.195 #kJ/mol #01aki/zot -analytic 4.8501548E+2 9.8333012E-2 -2.0375873E+4 -1.8189812E+2 1.2163919E+6 #References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot; 1.000Au+ + 3.000Cl- = AuCl3-2 -llnl_gamma 4.7 log_k 9.328 delta_h -47.873 #kJ/mol #97sve/sho -analytic 8.3327128E+2 1.3522704E-1 -4.309319E+4 -3.0328218E+2 2.7313036E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Au+3 + 4.000Cl- = AuCl4- -llnl_gamma 3.6 log_k -41.913 delta_h 199.282 #kJ/mol #97sve/sho -analytic 2.3945086E+3 3.9162149E-1 -1.4143643E+5 -8.7562563E+2 7.8115342E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Au+ + 1.000HS- = AuHS -llnl_gamma 3.4 log_k 26.016 delta_h -134.682 #kJ/mol #01aki/zot -analytic 8.1512422E+2 1.1760818E-1 -3.866775E+4 -2.9300397E+2 2.7146428E+6 #References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot; 1.000Au+ + 1.000H2O = AuOH + 1.000H+ -llnl_gamma 3.4 log_k 11.022 delta_h -77.054 #kJ/mol #01aki/zot -analytic 5.8273598E+1 4.3431282E-3 1.494163E+3 -2.171427E+1 1.5336336E+4 #References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot; 1.000B(OH)3 + 1.000H2O = B(OH)4- + 1.000H+ -llnl_gamma 3.6 log_k -9.243 delta_h 14.069 #kJ/mol #95pok/sch -analytic -4.9835469E+2 -7.5280182E-2 2.8167289E+4 1.7713522E+2 -1.8868727E+6 #References = LogK/DGf: 95pok/sch; DHf/DHr: Internal calculation; S°: 95pok/sch; Cp: 95pok/sch; V°: 95pok/sch; 1.000Ba+2 + 1.000HCO3- = Ba(HCO3)+ -llnl_gamma 4.1 log_k 1.034 delta_h 20.309 #kJ/mol #95sho/kor -analytic 9.2777025E+2 1.4836435E-1 -5.2385332E+4 -3.3564941E+2 3.1355167E+6 #References = LogK/DGf: 95sho/kor; DHf/DHr: Internal calculation; S°: 95sho/kor; Cp: 95sho/kor; V°: 95sho/kor; 1.000Ba+2 + 1.000Cl- = BaCl+ -llnl_gamma 4.1 log_k -0.485 delta_h 12.964 #kJ/mol #97sve/sho -analytic 8.0870215E+2 1.3328694E-1 -4.4762732E+4 -2.9445734E+2 2.6511191E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Ba+2 + 1.000HCO3- = BaCO3 + 1.000H+ -llnl_gamma 3.4 log_k -7.667 delta_h 31.514 #kJ/mol #97sve/sho -analytic 6.6880196E+2 1.1124343E-1 -3.5057328E+4 -2.4693095E+2 1.6855493E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Ba+2 + 1.000F- = BaF+ -llnl_gamma 4.1 log_k -0.143 delta_h 8.925 #kJ/mol #97sve/sho -analytic 8.2520409E+2 1.3420958E-1 -4.5844967E+4 -3.0007457E+2 2.7483725E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000H2AsO3- + 1.000Ba+2 = BaH2AsO3+ -llnl_gamma 4.1 log_k 1.463 delta_h 0.131 #kJ/mol #Internal calculation -analytic 5.5629355E+2 9.1454479E-2 -2.8046882E+4 -2.0384348E+2 1.4551382E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Ba+2 + 1.000H2O = BaOH+ + 1.000H+ -llnl_gamma 4.1 log_k -13.494 delta_h 87.599 #kJ/mol #97asho/sas -analytic 1.3006325E+2 2.1000683E-2 -9.5608825E+3 -4.8012131E+1 9.3482077E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Be+2 + 1.000Cl- = BeCl+ -llnl_gamma 4.1 log_k -4.835 delta_h 165.918 #kJ/mol #97sve/sho -analytic 1.4310104E+3 2.2804857E-1 -8.534038E+4 -5.1275469E+2 4.548962E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Be+2 + 2.000Cl- = BeCl2 -llnl_gamma 3.4 log_k -5.683 delta_h 201.449 #kJ/mol #97sve/sho -analytic 1.6810811E+3 2.6952393E-1 -1.0259918E+5 -6.0096501E+2 5.6932323E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Be+2 + 1.000F- = BeF+ -llnl_gamma 4.1 log_k 0.482 delta_h 115.257 #kJ/mol #97sve/sho -analytic 1.2125411E+3 1.939563E-1 -7.142536E+4 -4.3427562E+2 3.9345255E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Be+2 + 2.000F- = BeF2 -llnl_gamma 3.4 log_k 4.592 delta_h 111.529 #kJ/mol #97sve/sho -analytic 1.83336E+3 2.9242206E-1 -1.068392E+5 -6.5781627E+2 6.2323368E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Be+2 + 3.000F- = BeF3-1 -llnl_gamma 3.6 log_k 7.422 delta_h 140.733 #kJ/mol #97sve/sho -analytic 2.6366086E+3 4.178817E-1 -1.5336649E+5 -9.4609351E+2 9.0370795E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Be+2 + 4.000F- = BeF4-2 -llnl_gamma 4.7 log_k 8.062 delta_h 247.651 #kJ/mol #97sve/sho -analytic 3.2813241E+3 5.1721885E-1 -1.9459117E+5 -1.1727229E+3 1.1290997E+7 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Be+2 + 1.000H2O = BeO + 2.000H+ -llnl_gamma 3.4 log_k -13.655 delta_h 65.815 #kJ/mol #97asho/sas -analytic 3.45563E+2 5.5462702E-2 -2.1609247E+4 -1.270664E+2 9.9034524E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Be+2 + 2.000H2O = BeO2-2 + 4.000H+ -llnl_gamma 4.7 log_k -37.389 delta_h 160.594 #kJ/mol #97asho/sas -analytic -9.5944815E+2 -1.5864289E-1 4.2532511E+4 3.4763186E+2 -2.9769447E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Be+2 + 1.000H2O = BeOH+ + 1.000H+ -llnl_gamma 4.1 log_k -5.372 delta_h 27.518 #kJ/mol #97asho/sas -analytic 2.1898601E+2 3.2917783E-2 -1.423665E+4 -7.9061373E+1 8.1865103E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000B(OH)3 + 4.000F- + 3.000H+ = BF4- + 3.000H2O -llnl_gamma 3.6 log_k 18.145 delta_h -19.282 #kJ/mol #88sho/hel -analytic 2.3767387E+3 3.7694759E-1 -1.299062E+5 -8.5857917E+2 7.9315717E+6 #References = LogK/DGf: 88sho/hel; DHf/DHr: Internal calculation; S°: 88sho/hel; Cp: 88sho/hel; V°: 88sho/hel; 1.000Bi+3 + 1.000H2O = BiO+ + 2.000H+ -llnl_gamma 4.1 log_k -3.298 delta_h 77.925 #kJ/mol #97asho/sas -analytic 1.6682384E+2 2.6735453E-2 -6.1473575E+3 -6.1266475E+1 -5.2222674E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Bi+3 + 2.000H2O = BiO2- + 4.000H+ -llnl_gamma 3.6 log_k -21.095 delta_h 191.082 #kJ/mol #97asho/sas -analytic -2.0624372E+2 -3.8098808E-2 1.0086283E+4 7.5067808E+1 -2.0509303E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Bi+3 + 1.000H2O = BiOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -1.099 delta_h 17.221 #kJ/mol #97asho/sas -analytic 1.143915E+2 1.6629762E-2 -5.0879279E+3 -4.1936958E+1 3.4368009E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000HCO3- + 1.000Ca+2 = Ca(HCO3)+ -llnl_gamma 4.1 log_k 1.103 delta_h -8.895 #kJ/mol #Internal calculation -analytic 8.6860476E+2 1.4583333E-1 -4.8281225E+4 -3.167311E+2 3.0832247E+6 #References = LogK/DGf: 82plu/bus; DHf/DHr: Internal calculation; S°: 99aki/zot; Cp: 99aki/zot; V°: 99aki/zot; 1.000H2AsO4- + 1.000Ca+2 = CaAsO4- + 2.000H+ -llnl_gamma 3.6 log_k -14.839 delta_h 113.307 #kJ/mol #Internal calculation -analytic 2.5836626E+2 3.8536281E-2 -1.5534058E+4 -9.4530772E+1 1.1707092E+5 #References = LogK/DGf: 95mir/kis; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Ca+2 + 1.000Cl- = CaCl+ -llnl_gamma 4.1 log_k -0.290 delta_h 7.149 #kJ/mol #Internal calculation -analytic 7.8430049E+2 1.2981026E-1 -4.3492375E+4 -2.8572394E+2 2.63E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Ca+2 + 2.000Cl- = CaCl2 -llnl_gamma 3.4 log_k -0.640 delta_h -5.857 #kJ/mol #Internal calculation -analytic 1.56211E+3 2.5579437E-1 -8.5800777E+4 -5.6981616E+2 5.2211638E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000HCO3- + 1.000Ca+2 = CaCO3 + 1.000H+ -llnl_gamma 3.4 log_k -7.107 delta_h 29.530 #kJ/mol #82plu/bus -analytic 6.9542939E+2 1.1632931E-1 -3.6152348E+4 -2.5684303E+2 1.7402592E+6 #References = LogK/DGf: 82plu/bus; DHf/DHr: 82plu/bus; S°: Internal calculation; Cp: 97sve/sho; V°: 97sve/sho; 1.000Ca+2 + 1.000CrO4-2 = CaCrO4 -llnl_gamma 3.4 log_k 2.770 #References = LogK/DGf: 00per/pal; #References = LogK/DGf: 00per/pal; V°: Default value; 1.000Ca+2 + 1.000F- = CaF+ -llnl_gamma 4.1 log_k 0.719 delta_h 5.541 #kJ/mol #97sve/sho -analytic 8.5112291E+2 1.3865645E-1 -4.7741292E+4 -3.0905372E+2 2.9435917E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000H2AsO3- + 1.000Ca+2 = CaH2AsO3+ -llnl_gamma 4.1 log_k 1.745 #References = LogK/DGf: 07mar/acc; #References = LogK/DGf: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000H2AsO4- + 1.000Ca+2 = CaH2AsO4+ -llnl_gamma 4.1 log_k 1.398 delta_h -3.075 #kJ/mol #Internal calculation -analytic 8.1838467E+2 1.309461E-1 -4.5283605E+4 -2.9716863E+2 2.7715193E+6 #References = LogK/DGf: 95mir/kis; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Ca+2 + 1.000H2PO4- = CaH2PO4+ -llnl_gamma 4.1 log_k 1.500 delta_h 7.776 #kJ/mol #Internal calculation -analytic 9.2198728E+2 1.44563E-1 -4.9725223E+4 -3.3475721E+2 2.8023976E+6 #References = LogK/DGf: 68chu/mar; DHf/DHr: Internal calculation; S°: 68chu/mar; V°: Default value; 1.000H2AsO4- + 1.000Ca+2 = CaHAsO4 + 1.000H+ -llnl_gamma 3.4 log_k -4.080 delta_h 9.480 #kJ/mol #Internal calculation -analytic 8.505557E+2 1.3673726E-1 -4.5213965E+4 -3.1174192E+2 2.4561126E+6 #References = LogK/DGf: 95mir/kis; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Ca+2 + 1.000H2PO4- = CaHPO4 + 1.000H+ -llnl_gamma 3.4 log_k -4.370 delta_h 17.564 #kJ/mol #Internal calculation -analytic 9.1783212E+2 1.44563E-1 -5.0236502E+4 -3.3475721E+2 2.8023976E+6 #References = LogK/DGf: 68chu/mar; DHf/DHr: Internal calculation; S°: 68chu/mar; V°: Default value; 1.000Ca+2 + 1.000H2O = CaOH+ + 1.000H+ -llnl_gamma 4.1 log_k -12.781 delta_h 77.207 #kJ/mol #Internal calculation -analytic 1.3129766E+2 2.1418381E-2 -1.0189734E+4 -4.8224772E+1 2.7032707E+5 #References = LogK/DGf: 87gar/par; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Ca+2 + 2.000H2PO4- = CaP2O7-2 + 1.000H2O + 2.000H+ -llnl_gamma 4.7 log_k -11.010 #References = LogK/DGf: 76smi/mar; #References = LogK/DGf: 76smi/mar; V°: Default value; 1.000Ca+2 + 1.000H2PO4- = CaPO4- + 2.000H+ -llnl_gamma 3.6 log_k -13.110 delta_h 38.532 #kJ/mol #Internal calculation -analytic 1.0277723E+3 1.6138722E-1 -5.7688437E+4 -3.7631665E+2 3.1698606E+6 #References = LogK/DGf: 68chu/mar; DHf/DHr: Internal calculation; S°: 68chu/mar; V°: Default value; 1.000Ca+2 + 1.000SO4-2 = CaSO4 -llnl_gamma 3.4 log_k 2.310 delta_h 4.291 #kJ/mol #Internal calculation -analytic 1.720334E+3 2.6573378E-1 -9.4254922E+4 -6.2356103E+2 5.4972745E+6 #References = LogK/DGf: 53bell/geo; DHf/DHr: Internal calculation; S°: 97sve/sho; V°: Default value; 2.000HCO3- + 1.000Cd+2 = Cd(CO3)2-2 + 2.000H+ -llnl_gamma 4.7 log_k -14.154 #References = LogK/DGf: 91rai/fel; #References = LogK/DGf: 91rai/fel; V°: Default value; 1.000Cd+2 + 1.000H2PO4- = Cd(H2PO4)+ -llnl_gamma 4.1 log_k 1.800 #References = LogK/DGf: 01aya/mad; #References = LogK/DGf: 01aya/mad; V°: Default value; 1.000Cd+2 + 2.000HS- = Cd(HS)2 -llnl_gamma 3.4 log_k 14.430 #References = LogK/DGf: 99wan/tes; #References = LogK/DGf: 99wan/tes; V°: Default value; 1.000Cd+2 + 2.000SO4-2 = Cd(SO4)2-2 -llnl_gamma 4.7 log_k 3.440 #References = LogK/DGf: 76smi/mar; #References = LogK/DGf: 76smi/mar; V°: Default value; 2.000Cd+2 + 1.000H2O = Cd2OH+3 + 1.000H+ -llnl_gamma 8.2 log_k -9.390 delta_h 49.083 #kJ/mol #06bla/pia -analytic 6.4452526E+2 9.783847E-2 -3.6589833E+4 -2.3480419E+2 1.8351506E+6 #References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 06bla/pia; V°: Default value; 4.000Cd+2 + 4.000H2O = Cd4(OH)4+4 + 4.000H+ -llnl_gamma 11.6 log_k -32.076 delta_h 172.135 #kJ/mol #99yun/glu -analytic 1.3419038E+3 1.9583393E-1 -7.9397739E+4 -4.8792886E+2 3.6696627E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 99yun/glu; S°: 99yun/glu; V°: Default value; 1.000Cd+2 + 1.000Cl- = CdCl+ -llnl_gamma 4.2 log_k 1.970 delta_h -5.521 #kJ/mol #Internal calculation -analytic 8.0941004E+2 1.3169312E-1 -4.4807432E+4 -2.9412173E+2 2.7881921E+6 #References = LogK/DGf: 76smi/mar; DHf/DHr: Internal calculation; S°: 97cro; Cp: 97sve/sho; V°: 97sve/sho; 1.000Cd+2 + 2.000Cl- = CdCl2 -llnl_gamma 3.4 log_k 2.590 delta_h -13.968 #kJ/mol #Internal calculation -analytic 1.6082169E+3 2.6110353E-1 -8.8756923E+4 -5.8505444E+2 5.5021787E+6 #References = LogK/DGf: 76smi/mar; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Cd+2 + 3.000Cl- = CdCl3- -llnl_gamma 3.6 log_k 2.400 delta_h -29.073 #kJ/mol #Internal calculation -analytic 1.6305933E+3 2.6642709E-1 -9.142449E+4 -5.9316042E+2 5.9334096E+6 #References = LogK/DGf: 76smi/mar; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Cd+2 + 4.000Cl- = CdCl4-2 -llnl_gamma 4.7 log_k 1.470 delta_h -44.766 #kJ/mol #Internal calculation -analytic 1.6152923E+3 2.6481694E-1 -9.192457E+4 -5.8775952E+2 6.2146892E+6 #References = LogK/DGf: 76smi/mar; DHf/DHr: Internal calculation; S°: 97cro; Cp: 97sve/sho; V°: 97sve/sho; 1.000HCO3- + 1.000Cd+2 = CdCO3 + 1.000H+ -llnl_gamma 3.4 log_k -5.627 delta_h 19.000 #kJ/mol #Internal calculation -analytic 9.294725E+2 1.444084E-1 -5.1233705E+4 -3.3885674E+2 2.8590555E+6 #References = LogK/DGf: 91rai/fel; DHf/DHr: Internal calculation; S°: 97sve/sho; V°: Default value; 1.000Cd+2 + 1.000F- = CdF+ -llnl_gamma 4.1 log_k 1.106 delta_h 3.153 #kJ/mol #97sve/sho -analytic 8.6860724E+2 1.3907163E-1 -4.8793028E+4 -3.1489835E+2 3.0119326E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Cd+2 + 2.000F- = CdF2 -llnl_gamma 3.4 log_k 1.476 delta_h -8.083 #kJ/mol #97sve/sho -analytic 1.7658928E+3 2.8400177E-1 -9.8001296E+4 -6.4190608E+2 6.0412892E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000HCO3- + 1.000Cd+2 = CdHCO3+ -llnl_gamma 4.1 log_k 1.503 #References = LogK/DGf: 92sti/par; #References = LogK/DGf: 92sti/par; V°: Default value; 1.000Cd+2 + 1.000H2PO4- = CdHPO4 + 1.000H+ -llnl_gamma 3.4 log_k -2.380 #References = LogK/DGf: 01aya/mad; #References = LogK/DGf: 01aya/mad; V°: Default value; 1.000Cd+2 + 1.000HS- = CdHS+ -llnl_gamma 4.1 log_k 7.380 #References = LogK/DGf: 99wan/tes; #References = LogK/DGf: 99wan/tes; V°: Default value; 1.000Cd+2 + 1.000H2O = CdO + 2.000H+ -llnl_gamma 3.4 log_k -20.901 delta_h 114.908 #kJ/mol #Internal calculation -analytic 2.5360367E+2 4.0290623E-2 -1.7872087E+4 -9.3801559E+1 4.917393E+5 #References = LogK/DGf: 91rai/fel; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cd+2 + 2.000H2O = CdO2-2 + 4.000H+ -llnl_gamma 4.7 log_k -47.482 delta_h 225.688 #kJ/mol #Internal calculation -analytic -1.0196666E+3 -1.6933521E-1 4.4897737E+4 3.6868458E+2 -3.573682E+6 #References = LogK/DGf: 91rai/fel; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cd+2 + 1.000H2O = CdOH+ + 1.000H+ -llnl_gamma 4.1 log_k -10.081 delta_h 54.808 #kJ/mol #Internal calculation -analytic 1.8391243E+2 2.7018987E-2 -1.2809154E+4 -6.6798446E+1 5.5125943E+5 #References = LogK/DGf: 81bae/mes; DHf/DHr: Internal calculation; S°: 81bae/mes; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cd+2 + 2.000H2PO4- = CdP2O7-2 + 1.000H2O + 2.000H+ -llnl_gamma 4.7 log_k -9.110 #References = LogK/DGf: 06bla/pia; #References = LogK/DGf: 06bla/pia; V°: Default value; 1.000Cd+2 + 1.000S2O3-2 = CdS2O3 -llnl_gamma 3.4 log_k 2.459 delta_h 5.405 #kJ/mol #74nau/ryz -analytic 1.651486E+3 2.5979388E-1 -9.0543035E+4 -5.9921486E+2 5.326193E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 74nau/ryz; V°: Default value; 1.000Cd+2 + 1.000SO4-2 = CdSO4 -llnl_gamma 3.4 log_k 3.440 delta_h 8.700 #kJ/mol #97smi/mar -analytic 1.7076044E+3 2.670935E-1 -9.4180412E+4 -6.1854172E+2 5.5669977E+6 #References = LogK/DGf: 76smi/mar; DHf/DHr: 97smi/mar; S°: Internal calculation; V°: Default value; 1.000Br- + 1.000Ce+3 = CeBr+2 -llnl_gamma 5.7 log_k 0.380 delta_h 3.059 #kJ/mol #95haa/sho -analytic 8.2693258E+2 1.3442435E-1 -4.6674137E+4 -3.0023701E+2 2.9184796E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ce+3 + 1.000Cl- = CeCl+2 -llnl_gamma 5.7 log_k 0.321 delta_h 14.848 #kJ/mol #95haa/sho -analytic 8.3468541E+2 1.3664496E-1 -4.7387297E+4 -3.0267925E+2 2.915068E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ce+3 + 2.000Cl- = CeCl2+ -llnl_gamma 4.1 log_k 0.056 delta_h 20.694 #kJ/mol #95haa/sho -analytic 1.5937511E+3 2.5971223E-1 -8.8186986E+4 -5.7961464E+2 5.2332188E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ce+3 + 3.000Cl- = CeCl3 -llnl_gamma 3.4 log_k -0.356 delta_h 15.775 #kJ/mol #95haa/sho -analytic 2.2998571E+3 3.7318309E-1 -1.2390706E+5 -8.3884218E+2 7.0909287E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ce+3 + 4.000Cl- = CeCl4- -llnl_gamma 3.6 log_k -0.695 delta_h -2.036 #kJ/mol #95haa/sho -analytic 1.7735262E+3 2.997484E-1 -9.0032161E+4 -6.529228E+2 4.7996539E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ce+3 + 1.000ClO4- = CeClO4+2 -llnl_gamma 5.7 log_k 1.910 delta_h -49.621 #kJ/mol #95haa/sho -analytic 7.9639902E+2 1.2548148E-1 -4.4858429E+4 -2.8969599E+2 3.1458152E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Ce+3 = CeCO3+ + 1.000H+ -llnl_gamma 4.1 log_k -2.912 delta_h -2.239 #kJ/mol #95haa/sho -analytic 8.9003653E+2 1.399476E-1 -4.667524E+4 -3.2597914E+2 2.5325726E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ce+3 + 1.000F- = CeF+2 -llnl_gamma 5.7 log_k 4.262 delta_h 23.074 #kJ/mol #95haa/sho -analytic 9.2556331E+2 1.4957752E-1 -5.2486449E+4 -3.3368444E+2 3.1844153E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ce+3 + 2.000F- = CeF2+ -llnl_gamma 4.1 log_k 7.351 delta_h 14.795 #kJ/mol #95haa/sho -analytic 1.7515304E+3 2.8132856E-1 -9.65276E+4 -6.3411408E+2 5.7577706E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ce+3 + 3.000F- = CeF3 -llnl_gamma 3.4 log_k 9.634 delta_h -6.097 #kJ/mol #95haa/sho -analytic 2.5476445E+3 4.0837409E-1 -1.3652006E+5 -9.2589648E+2 7.9287157E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ce+3 + 4.000F- = CeF4- -llnl_gamma 3.6 log_k 11.550 delta_h -45.853 #kJ/mol #95haa/sho -analytic 2.5036098E+3 3.9603946E-1 -1.3084927E+5 -9.1159356E+2 7.5035411E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ce+3 + 1.000H2PO4- = CeH2PO4+2 -llnl_gamma 5.7 log_k 1.256 delta_h -5.935 #kJ/mol #95haa/sho -analytic 8.6781969E+2 1.388024E-1 -4.9895174E+4 -3.1412105E+2 3.260084E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Ce+3 = CeHCO3+2 -llnl_gamma 5.7 log_k 1.936 delta_h 8.888 #kJ/mol #95haa/sho -analytic 8.8257465E+2 1.4152087E-1 -5.101329E+4 -3.1862313E+2 3.2604375E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ce+3 + 1.000IO3- = CeIO3+2 -llnl_gamma 5.7 log_k 1.900 delta_h -21.162 #kJ/mol #95haa/sho -analytic 8.2463602E+2 1.3171092E-1 -4.6619643E+4 -2.9919542E+2 3.0843268E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ce+3 + 1.000NO3- = CeNO3+2 -llnl_gamma 5.7 log_k 0.655 delta_h -26.590 #kJ/mol #95haa/sho -analytic 7.9612577E+2 1.2675841E-1 -4.5076687E+4 -2.8938182E+2 3.0206153E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ce+3 + 1.000H2O = CeO+ + 2.000H+ -llnl_gamma 4.1 log_k -16.404 delta_h 150.615 #kJ/mol #95haa/sho -analytic 2.4849638E+2 4.0099364E-2 -1.723781E+4 -8.9431827E+1 2.0028476E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ce+3 + 2.000H2O = CeO2- + 4.000H+ -llnl_gamma 3.6 log_k -38.745 delta_h 288.714 #kJ/mol #95haa/sho -analytic -1.4934194E+2 -2.7864032E-2 -1.2127248E+3 5.5875909E+1 -1.3591423E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ce+3 + 2.000H2O = CeO2H + 3.000H+ -llnl_gamma 3.4 log_k -26.138 delta_h 229.099 #kJ/mol #95haa/sho -analytic 2.4791913E+2 3.571409E-2 -1.7519638E+4 -8.9366091E+1 -4.2787278E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ce+3 + 1.000H2O = CeOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -8.414 delta_h 84.925 #kJ/mol #95haa/sho -analytic 1.8955802E+2 2.9219906E-2 -1.3675377E+4 -6.7123216E+1 4.6893067E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ce+3 + 1.000SO4-2 = CeSO4+ -llnl_gamma 4.1 log_k 3.723 delta_h 18.642 #kJ/mol #95haa/sho -analytic 1.6476675E+3 2.6134533E-1 -8.9771705E+4 -5.9763179E+2 5.1586415E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 4.000F- + 5.000H+ = CF4 + 3.000H2O -llnl_gamma 3.4 log_k -26.875 delta_h 243.525 #kJ/mol #01sch/sho -analytic 3.7594031E+3 5.9885315E-1 -2.2411277E+5 -1.3586198E+3 1.3215605E+7 #References = LogK/DGf: 01sch/sho; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho; 1.000CH4 + 1.000Hg+2 = CH3Hg+ + 1.000H+ -llnl_gamma 4.1 log_k 3.000 delta_h -12.867 #kJ/mol #Internal calculation -analytic 8.6387411E+1 9.0151552E-3 -1.0803883E+3 -3.2219217E+1 -2.4243792E+5 #References = LogK/DGf: 18bla/bur; DHf/DHr: Internal calculation; S°: 18bla/bur; V°: Default value; 1.000CH4 + 1.000Cl- + 1.000Hg+2 = CH3HgCl + 1.000H+ -llnl_gamma 3.4 log_k 8.450 delta_h -51.567 #kJ/mol #Internal calculation -analytic 6.255863E+2 9.8694212E-2 -2.8238238E+4 -2.2975713E+2 1.4817267E+6 #References = LogK/DGf: 18bla/bur; DHf/DHr: Internal calculation; S°: 03ald/gan; V°: Default value; 1.000CH4 + 1.000H2O + 1.000Hg+2 = CH3HgOH + 2.000H+ -llnl_gamma 3.4 log_k -1.531 delta_h -8.122 #kJ/mol #Internal calculation -analytic 1.0815377E+2 8.9469616E-3 -2.4384525E+3 -4.0977444E+1 -2.469193E+5 #References = LogK/DGf: 18bla/bur; DHf/DHr: Internal calculation; S°: 03ald/gan; V°: Default value; 1.000CH4 + 1.000HS- + 1.000Hg+2 = CH3HgS- + 2.000H+ -llnl_gamma 3.6 log_k 7.000 #References = LogK/DGf: 18bla/bur; #References = LogK/DGf: 18bla/bur; V°: Default value; 1.000CH4 + 1.000HS- + 1.000Hg+2 = CH3HgSH + 1.000H+ -llnl_gamma 3.4 log_k 17.500 #References = LogK/DGf: 18bla/bur; #References = LogK/DGf: 18bla/bur; V°: Default value; 1.000Co+2 + 2.000HS- = Co(HS)2 -llnl_gamma 3.4 log_k 8.770 #References = LogK/DGf: 74nau/ryz; #References = LogK/DGf: 74nau/ryz; V°: Default value; 1.000HCO3- + 1.000H+ = CO2 + 1.000H2O -CO2_llnl_gamma log_k 6.354 delta_h -9.160 #kJ/mol #89cox/wag -analytic 6.8216082E+2 1.1432034E-1 -3.8165149E+4 -2.4658624E+2 2.5136382E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho; 2.000Co+2 + 1.000H2O = Co2OH+3 + 1.000H+ -llnl_gamma 8.2 log_k -9.831 delta_h 30.030 #kJ/mol #98ply/zha -analytic 6.799409E+2 1.0606208E-1 -3.7703166E+4 -2.4942013E+2 1.9766835E+6 #References = LogK/DGf: 98ply/zha; DHf/DHr: 98ply/zha; S°: Internal calculation; V°: Default value; 1.000HCO3- = CO3-2 + 1.000H+ -llnl_gamma 4.5 log_k -10.327 delta_h 14.700 #kJ/mol #89cox/wag -analytic -7.7058011E+2 -1.2433467E-1 4.2038591E+4 2.7739354E+2 -2.6727243E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas; 4.000Co+2 + 4.000H2O = Co4(OH)4+4 + 4.000H+ -llnl_gamma 11.6 log_k -29.884 delta_h 149.720 #kJ/mol #98ply/zha -analytic 1.4185577E+3 2.1228114E-1 -8.2444082E+4 -5.1716074E+2 3.9527286E+6 #References = LogK/DGf: 98ply/zha; DHf/DHr: 98ply/zha; S°: Internal calculation; V°: Default value; 1.000H2AsO4- + 1.000Co+2 = CoAsO4- + 2.000H+ -llnl_gamma 3.6 log_k -11.805 delta_h 86.431 #kJ/mol #Internal calculation -analytic 2.394832E+2 3.2348369E-2 -1.3569818E+4 -8.746078E+1 8.8584941E+4 #References = LogK/DGf: 95mir/kis; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Cl- + 1.000Co+2 = CoCl+ -llnl_gamma 4.1 log_k 0.570 delta_h -2.167 #kJ/mol #Internal calculation -analytic 8.0574427E+2 1.3135558E-1 -4.4524051E+4 -2.9329044E+2 2.7312086E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 2.000Cl- + 1.000Co+2 = CoCl2 -llnl_gamma 3.4 log_k 0.020 delta_h 4.070 #kJ/mol #89pan/sus -analytic 1.7082364E+3 2.5831757E-1 -9.2266157E+4 -6.199283E+2 5.1736511E+6 #References = LogK/DGf: 89pan/sus; DHf/DHr: 89pan/sus; S°: Internal calculation; V°: Default value; 3.000Cl- + 1.000Co+2 = CoCl3- -llnl_gamma 3.6 log_k -1.710 delta_h 6.690 #kJ/mol #89pan/sus -analytic 2.3905305E+3 3.6098046E-1 -1.2943638E+5 -8.6786525E+2 7.2662259E+6 #References = LogK/DGf: 89pan/sus; DHf/DHr: 89pan/sus; S°: Internal calculation; V°: Default value; 4.000Cl- + 1.000Co+2 = CoCl4-2 -llnl_gamma 4.7 log_k -2.090 delta_h 22.570 #kJ/mol #89pan/sus -analytic 3.1843876E+3 4.6364335E-1 -1.7210204E+5 -1.152894E+3 9.3588007E+6 #References = LogK/DGf: 89pan/sus; DHf/DHr: 89pan/sus; S°: Internal calculation; V°: Default value; 1.000HCO3- + 1.000Co+2 = CoCO3 + 1.000H+ -llnl_gamma 3.4 log_k -6.097 #References = LogK/DGf: 97smi/mar; #References = LogK/DGf: 97smi/mar; V°: Default value; 1.000Co+2 + 1.000F- = CoF+ -llnl_gamma 4.1 log_k 1.500 delta_h -0.619 #kJ/mol #Internal calculation -analytic 8.5095337E+2 1.378658E-1 -4.6822342E+4 -3.0933992E+2 2.8380397E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000H2AsO4- + 1.000Co+2 = CoH2AsO4+ -llnl_gamma 4.1 log_k 0.068 delta_h -5.168 #kJ/mol #Internal calculation -analytic 8.1774351E+2 1.278571E-1 -4.5499278E+4 -2.9684761E+2 2.7858691E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000H2AsO4- + 1.000Co+2 = CoHAsO4 + 1.000H+ -llnl_gamma 3.4 log_k -4.236 delta_h 7.924 #kJ/mol #Internal calculation -analytic 8.9531849E+2 1.4279267E-1 -4.7685424E+4 -3.2794927E+2 2.6044572E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000HCO3- + 1.000Co+2 = CoHCO3+ -llnl_gamma 4.1 log_k 1.893 #References = LogK/DGf: 97smi/mar; #References = LogK/DGf: 97smi/mar; V°: Default value; 1.000Co+2 + 1.000H2PO4- = CoHPO4 + 1.000H+ -llnl_gamma 3.4 log_k -4.150 #References = LogK/DGf: 97smi/mar; #References = LogK/DGf: 97smi/mar; V°: Default value; 1.000Co+2 + 1.000HS- = CoHS+ -llnl_gamma 4.1 log_k 5.670 #References = LogK/DGf: 74nau/ryz; #References = LogK/DGf: 74nau/ryz; V°: Default value; 1.000Co+2 + 1.000H2O = CoO + 2.000H+ -llnl_gamma 3.4 log_k -18.601 delta_h 105.707 #kJ/mol #Internal calculation -analytic 3.1328181E+2 5.0768623E-2 -2.1353247E+4 -1.1499319E+2 8.1273479E+5 #References = LogK/DGf: 98ply/zha; DHf/DHr: Internal calculation; S°: 98ply/zha; Cp: 97asho/sas; V°: 97asho/sas; 1.000Co+2 + 2.000H2O = CoO2-2 + 4.000H+ -llnl_gamma 4.7 log_k -46.422 delta_h 214.485 #kJ/mol #Internal calculation -analytic -9.6639832E+2 -1.5989582E-1 4.1017755E+4 3.4976688E+2 -3.1468584E+6 #References = LogK/DGf: 98ply/zha; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Co+2 + 1.000H2O = CoOH+ + 1.000H+ -llnl_gamma 4.1 log_k -9.231 delta_h 45.961 #kJ/mol #Internal calculation -analytic 2.2297572E+2 3.3971906E-2 -1.5185488E+4 -8.0960562E+1 7.9368937E+5 #References = LogK/DGf: 98ply/zha; DHf/DHr: Internal calculation; S°: 06bla/pia; Cp: 97asho/sas; V°: 97asho/sas; 1.000Co+2 + 1.000S2O3-2 = CoS2O3 -llnl_gamma 3.4 log_k 2.050 #References = LogK/DGf: 51den/mon; #References = LogK/DGf: 51den/mon; V°: Default value; 1.000Co+2 + 1.000SO4-2 = CoSO4 -llnl_gamma 3.4 log_k 2.300 delta_h 2.090 #kJ/mol #97smi/mar -analytic 1.7249035E+3 2.712053E-1 -9.4889438E+4 -6.2584969E+2 5.6377642E+6 #References = LogK/DGf: 97smi/mar; DHf/DHr: 97smi/mar; S°: Internal calculation; V°: Default value; 1.000Cr+3 + 1.000H2PO4- + 3.000H2O = Cr(OH)3(H2PO4)- + 3.000H+ -llnl_gamma 3.6 log_k -4.391 delta_h 49.800 #kJ/mol #98zie/jon -analytic 1.321583E+3 1.9751002E-1 -7.2520713E+4 -4.7863243E+2 3.7973918E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98zie/jon; S°: 98zie/jon; V°: Default value; 1.000Cr+3 + 1.000H2PO4- + 3.000H2O = Cr(OH)3(HPO4)-2 + 4.000H+ -llnl_gamma 4.7 log_k -13.275 delta_h 59.600 #kJ/mol #98zie/jon -analytic 1.4294234E+3 2.1433424E-1 -7.938932E+4 -5.2019187E+2 4.1648548E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98zie/jon; S°: 98zie/jon; V°: Default value; 1.000Cr+3 + 1.000H2PO4- + 3.000H2O = Cr(OH)3(PO4)-3 + 5.000H+ -llnl_gamma 6.7 log_k -24.581 delta_h 116.120 #kJ/mol #98zie/jon -analytic 1.5430251E+3 2.3115846E-1 -8.8698268E+4 -5.6175132E+2 4.5323178E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98zie/jon; S°: 98zie/jon; V°: Default value; 1.000Cr+3 + 2.000H2PO4- + 4.000H2O = Cr(OH)4(HPO4)(H2PO4)-4 + 5.000H+ -llnl_gamma 9.6 log_k -22.913 delta_h 53.950 #kJ/mol #98zie/jon -analytic 2.3071296E+3 3.451039E-1 -1.2720376E+5 -8.4196735E+2 6.8538475E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98zie/jon; S°: 98zie/jon; V°: Default value; 2.000Cl- + 1.000Cr+3 + 1.000H2O = Cr(OH)Cl2 + 1.000H+ -llnl_gamma 3.4 log_k -5.731 delta_h 32.720 #kJ/mol #76del/hep -analytic 1.7982728E+3 2.8881186E-1 -9.8928557E+4 -6.5549992E+2 5.661331E+6 #References = LogK/DGf: 76del/hep; DHf/DHr: 76del/hep; S°: Internal calculation; V°: Default value; 2.000Cr+3 + 2.000H2O = Cr2(OH)2+4 + 2.000H+ -llnl_gamma 11.6 log_k -5.000 #References = LogK/DGf: 87rai/sas; #References = LogK/DGf: 87rai/sas; V°: Default value; 2.000CrO4-2 + 2.000H+ = Cr2O7-2 + 1.000H2O -llnl_gamma 4.7 log_k 14.751 delta_h -3.753 #kJ/mol #Internal calculation -analytic 1.5673025E+3 2.514521E-1 -8.6785648E+4 -5.6462916E+2 5.3955261E+6 #References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; Cp: 97asho/sas; V°: 97asho/sas; 3.000Cr+3 + 4.000H2O = Cr3(OH)4+5 + 4.000H+ -llnl_gamma 15.9 log_k -10.750 #References = LogK/DGf: 87rai/sas; #References = LogK/DGf: 87rai/sas; V°: Default value; 1.000Br- + 1.000Cr+3 = CrBr+2 -llnl_gamma 5.7 log_k -0.657 delta_h 22.708 #kJ/mol #76del/hep -analytic 1.1396737E+3 1.8584069E-1 -6.2633207E+4 -4.147693E+2 3.6138545E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 76del/hep; S°: 76del/hep; V°: Default value; 1.000Cl- + 1.000Cr+2 = CrCl+ -llnl_gamma 4.1 log_k 5.600 delta_h -20.200 #kJ/mol #91all/bro -analytic 9.6874977E+2 1.5500587E-1 -5.1412439E+4 -3.5220401E+2 3.0738695E+6 #References = LogK/DGf: 91all/bro; DHf/DHr: 91all/bro; S°: Internal calculation; V°: Default value; 1.000Cl- + 1.000Cr+3 = CrCl+2 -llnl_gamma 5.7 log_k 0.620 delta_h 20.920 #kJ/mol #64sil/mar -analytic 1.1354893E+3 1.8607048E-1 -6.2019908E+4 -4.1321779E+2 3.5690754E+6 #References = LogK/DGf: 64sil/mar; DHf/DHr: 64sil/mar; S°: Internal calculation; V°: Default value; 2.000Cl- + 1.000Cr+3 = CrCl2+ -llnl_gamma 4.1 log_k -0.710 delta_h 20.920 #kJ/mol #64sil/mar -analytic 1.7746314E+3 2.8873337E-1 -9.7134949E+4 -6.4633968E+2 5.6616502E+6 #References = LogK/DGf: 64sil/mar; DHf/DHr: 64sil/mar; S°: Internal calculation; V°: Default value; 1.000Cr+3 + 1.000H2PO4- = CrH2PO4+2 -llnl_gamma 5.7 log_k 2.549 #References = LogK/DGf: 76bae/mes; #References = LogK/DGf: 76bae/mes; V°: Default value; 1.000Cr+3 + 1.000H2PO4- = CrHPO4+ + 1.000H+ -llnl_gamma 4.1 log_k 2.200 #References = LogK/DGf: 71sil/mar; #References = LogK/DGf: 71sil/mar; V°: Default value; 1.000Cr+3 + 1.000H2O = CrO+ + 2.000H+ -llnl_gamma 4.1 log_k -9.841 delta_h 98.557 #kJ/mol #Internal calculation -analytic 2.6719511E+2 4.3344511E-2 -1.6800539E+4 -9.6449621E+1 4.4876034E+5 #References = LogK/DGf: 87rai/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cr+3 + 2.000H2O = CrO2- + 4.000H+ -llnl_gamma 3.6 log_k -27.652 delta_h 203.812 #kJ/mol #Internal calculation -analytic -1.4181637E+2 -2.4795424E-2 -8.8480997E+2 5.371086E+1 -7.4486152E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cl- + 1.000CrO4-2 + 2.000H+ = CrO3Cl- + 1.000H2O -llnl_gamma 3.6 log_k 8.080 delta_h 5.450 #kJ/mol #76del/hep -analytic 2.079232E+3 3.3092138E-1 -1.1480449E+5 -7.5273593E+2 6.9190961E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 76del/hep; S°: 76del/hep; V°: Default value; 1.000Cr+2 + 1.000H2O = CrOH+ + 1.000H+ -llnl_gamma 4.1 log_k -5.301 delta_h 30.313 #kJ/mol #Internal calculation -analytic 3.2728308E+2 5.2421472E-2 -1.8976264E+4 -1.1946254E+2 9.8097547E+5 #References = LogK/DGf: 83mic/deb; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97sho/sas; 1.000Cr+3 + 1.000H2O = CrOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -3.571 delta_h 38.068 #kJ/mol #Internal calculation -analytic 2.3314727E+2 3.6201743E-2 -1.5165555E+4 -8.3278255E+1 8.3740288E+5 #References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Br- + 1.000Cs+ = CsBr -llnl_gamma 3.4 log_k 0.022 delta_h 7.047 #kJ/mol #97sve/sho -analytic 6.4329231E+2 9.9916955E-2 -3.5069999E+4 -2.3350243E+2 1.9868872E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Cl- + 1.000Cs+ = CsCl -llnl_gamma 3.4 log_k -0.126 delta_h 9.828 #kJ/mol #97sve/sho -analytic 5.3671191E+2 8.4468653E-2 -2.9379828E+4 -1.9485009E+2 1.6589284E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Cs+ + 1.000I- = CsI -llnl_gamma 3.4 log_k 0.982 delta_h -1.802 #kJ/mol #97sve/sho -analytic 5.4186384E+2 8.5367942E-2 -2.9035394E+4 -1.9709354E+2 1.6664179E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Cs+ + 1.000H2O = CsOH + 1.000H+ -llnl_gamma 3.4 log_k -15.678 delta_h 73.808 #kJ/mol #97asho/sas -analytic 3.1858552E+1 -1.5007639E-4 -4.3079828E+3 -1.2547063E+1 -1.7745211E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cu+ + 2.000HS- = Cu(HS)2- -llnl_gamma 3.6 log_k 16.880 delta_h -86.990 #kJ/mol #01aki/zot -analytic 1.0004589E+3 1.569816E-1 -4.9906901E+4 -3.6323139E+2 3.1822069E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 01aki/zot; V°: 01aki/zot; 1.000Cu+2 + 4.000NH3 = Cu(NH3)4+2 -llnl_gamma 5.7 log_k 12.350 delta_h -89.045 #kJ/mol #Internal calculation -analytic 6.5057285E+2 7.6875021E-2 -3.4924021E+4 -2.3104824E+2 2.4629175E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; V°: Default value; 1.000Cu+ + 2.000H2O = Cu(OH)2- + 2.000H+ -llnl_gamma 3.6 log_k -16.183 delta_h -1.706 #kJ/mol #Internal calculation -analytic -4.8525575E+2 -8.2823109E-2 2.7721816E+4 1.7070319E+2 -1.9206929E+6 #References = LogK/DGf: 95bev/pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 01aki/zot; V°: 01aki/zot; 2.000Cu+2 + 1.000H2O = Cu2(OH)+3 + 1.000H+ -llnl_gamma 8.2 log_k -6.401 delta_h 24.661 #kJ/mol #Internal calculation -analytic 6.4115019E+2 1.0512591E-1 -3.5425412E+4 -2.3517192E+2 1.9414761E+6 #References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 97ply/wan; V°: Default value; 2.000Cu+2 + 2.000H2O = Cu2(OH)2+2 + 2.000H+ -llnl_gamma 5.7 log_k -10.432 delta_h 73.916 #kJ/mol #Internal calculation -analytic 6.5455072E+2 1.052044E-1 -3.8383385E+4 -2.3821514E+2 1.9411569E+6 #References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 97ply/wan; V°: Default value; 2.000Cu+ + 3.000HS- = Cu2S(HS)2-2 + 1.000H+ -llnl_gamma 4.7 log_k 29.300 delta_h -227.532 #kJ/mol #Internal calculation -analytic 2.3103904E+3 3.4433386E-1 -1.1328616E+5 -8.4148785E+2 6.9707492E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; V°: Default value; 3.000Cu+2 + 4.000H2O = Cu3(OH)4+2 + 4.000H+ -llnl_gamma 5.7 log_k -21.104 delta_h 109.827 #kJ/mol #Internal calculation -analytic 9.6115092E+2 1.578851E-1 -5.6844365E+4 -3.5217063E+2 2.9114161E+6 #References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 97ply/wan; V°: Default value; 1.000H2AsO4- + 1.000Cu+2 = CuAsO4- + 2.000H+ -llnl_gamma 3.6 log_k -9.325 delta_h 76.057 #kJ/mol #Internal calculation -analytic 2.626073E+2 3.5516884E-2 -1.4171376E+4 -9.5619907E+1 1.4350145E+5 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Cl- + 1.000Cu+2 = CuCl+ -llnl_gamma 4.1 log_k 0.830 delta_h 6.359 #kJ/mol #Internal calculation -analytic 8.3390521E+2 1.3507993E-1 -4.6804817E+4 -3.0257864E+2 2.8753437E+6 #References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 00pui; Cp: 97sve/sho; V°: 97sve/sho; 1.000Cl- + 1.000Cu+ = CuCl -llnl_gamma 3.4 log_k 3.601 delta_h -11.542 #kJ/mol #Internal calculation -analytic 6.9681754E+2 1.1145523E-1 -3.6152723E+4 -2.5390211E+2 2.051111E+6 #References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot; 2.000Cl- + 1.000Cu+2 = CuCl2 -llnl_gamma 3.4 log_k 0.600 delta_h 13.649 #kJ/mol #Internal calculation -analytic 1.6510546E+3 2.6756367E-1 -9.2495163E+4 -5.9955609E+2 5.650422E+6 #References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 00pui; Cp: 97sve/sho; V°: 97sve/sho; 2.000Cl- + 1.000Cu+ = CuCl2- -llnl_gamma 3.6 log_k 4.813 delta_h -1.390 #kJ/mol #Internal calculation -analytic 9.3079385E+2 1.494387E-1 -4.9495748E+4 -3.3804517E+2 2.8396488E+6 #References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot; 3.000Cl- + 1.000Cu+2 = CuCl3- -llnl_gamma 3.6 log_k -1.280 delta_h 21.876 #kJ/mol #Internal calculation -analytic 1.6530252E+3 2.6875422E-1 -9.5507799E+4 -5.9904871E+2 6.0631898E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 97sve/sho; V°: 97sve/sho; 3.000Cl- + 1.000Cu+ = CuCl3-2 -llnl_gamma 4.7 log_k 4.593 delta_h -24.914 #kJ/mol #Internal calculation -analytic 8.1933075E+2 1.3272212E-1 -4.2717224E+4 -2.9893016E+2 2.5466317E+6 #References = LogK/DGf: 05liu/mcp; DHf/DHr: Internal calculation; S°: 05liu/mcp; Cp: 05liu/mcp; V°: 05liu/mcp; 4.000Cl- + 1.000Cu+2 = CuCl4-2 -llnl_gamma 4.7 log_k -3.980 delta_h 27.657 #kJ/mol #Internal calculation -analytic 1.646818E+3 2.6794805E-1 -9.7852707E+4 -5.9597E+2 6.4182616E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 97sve/sho; V°: 97sve/sho; 1.000HCO3- + 1.000Cu+2 = CuCO3 + 1.000H+ -llnl_gamma 3.4 log_k -3.560 delta_h 14.258 #kJ/mol #Internal calculation -analytic 9.9493512E+2 1.4805212E-1 -5.3947175E+4 -3.6147969E+2 2.9122183E+6 #References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 00pui; V°: Default value; 1.000Cu+2 + 1.000F- = CuF+ -llnl_gamma 4.1 log_k 1.580 delta_h 12.707 #kJ/mol #Internal calculation -analytic 9.0349106E+2 1.4391531E-1 -5.1152201E+4 -3.2670735E+2 3.1256667E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 97sve/sho; V°: 97sve/sho; 1.000H2AsO3- + 1.000Cu+2 = CuH2AsO3+ -llnl_gamma 4.1 log_k 7.054 delta_h -46.255 #kJ/mol #Internal calculation -analytic 6.4048192E+2 9.7286724E-2 -3.1510789E+4 -2.3336288E+2 1.8396788E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000H2AsO4- + 1.000Cu+2 = CuH2AsO4+ -llnl_gamma 4.1 log_k 1.760 delta_h -10.919 #kJ/mol #Internal calculation -analytic 8.3708326E+2 1.3054379E-1 -4.6267199E+4 -3.0355991E+2 2.8512706E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Cu+ + 1.000H2PO4- = CuH2PO4 -llnl_gamma 3.4 log_k 0.870 delta_h 0.072 #kJ/mol #Internal calculation -analytic 7.5823266E+2 1.1422352E-1 -4.0572596E+4 -2.7506552E+2 2.2485098E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; V°: Default value; 1.000Cu+2 + 1.000H2PO4- = CuH2PO4+ -llnl_gamma 4.1 log_k 1.140 delta_h -5.145 #kJ/mol #Internal calculation -analytic 8.9465245E+2 1.4956644E-1 -4.8398894E+4 -3.2681514E+2 2.9252836E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; V°: Default value; 1.000H2AsO4- + 1.000Cu+2 = CuHAsO4 + 1.000H+ -llnl_gamma 3.4 log_k -3.241 delta_h 4.151 #kJ/mol #Internal calculation -analytic 9.0174376E+2 1.4276292E-1 -4.7805103E+4 -3.3001007E+2 2.6115411E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000HCO3- + 1.000Cu+2 = CuHCO3+ -llnl_gamma 4.1 log_k 1.840 delta_h 8.599 #kJ/mol #Internal calculation -analytic 8.9894018E+2 1.4805212E-1 -4.9182002E+4 -3.2696172E+2 2.9122183E+6 #References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 00pui; V°: Default value; 1.000Cu+2 + 1.000H2PO4- = CuHPO4 + 1.000H+ -llnl_gamma 3.4 log_k -3.960 delta_h 18.003 #kJ/mol #Internal calculation -analytic 9.8806398E+2 1.4956644E-1 -5.38128E+4 -3.5928849E+2 2.9252836E+6 #References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 00pui; V°: Default value; 1.000Cu+ + 1.000HS- = CuHS -llnl_gamma 3.4 log_k 13.020 delta_h -49.570 #kJ/mol #Internal calculation -analytic 7.2535776E+2 1.1352028E-1 -3.5911324E+4 -2.6273887E+2 2.168426E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot; 1.000Cu+2 + 1.000NO2- = CuNO2+ -llnl_gamma 4.1 log_k 1.960 delta_h -5.953 #kJ/mol #Internal calculation -analytic 9.1084088E+2 1.4749476E-1 -4.978949E+4 -3.3134417E+2 3.0248528E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; V°: Default value; 1.000Cu+2 + 1.000NO3- = CuNO3+ -llnl_gamma 4.1 log_k 0.500 delta_h -7.587 #kJ/mol #Internal calculation -analytic 8.7787692E+2 1.4269939E-1 -4.7836804E+4 -3.2011231E+2 2.8996803E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; V°: Default value; 1.000Cu+2 + 1.000H2O = CuO + 2.000H+ -llnl_gamma 3.4 log_k -16.201 delta_h 85.087 #kJ/mol #Internal calculation -analytic -8.7149135E+1 -1.3485807E-2 1.1918581E+3 3.0620115E+1 -4.2633991E+5 #References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cu+2 + 2.000H2O = CuO2-2 + 4.000H+ -llnl_gamma 4.7 log_k -39.742 delta_h 178.319 #kJ/mol #Internal calculation -analytic -9.8990166E+2 -1.6461176E-1 4.5503226E+4 3.5779639E+2 -3.4422913E+6 #References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 97ply/wan; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cu+2 + 1.000H2O = CuOH+ + 1.000H+ -llnl_gamma 4.1 log_k -7.951 delta_h 50.497 #kJ/mol #Internal calculation -analytic 2.0602498E+2 3.0281135E-2 -1.3784298E+4 -7.4298786E+1 6.2900562E+5 #References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 97ply/wan; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cu+ + 1.000H2O = CuOH + 1.000H+ -llnl_gamma 3.4 log_k -11.555 delta_h 100.371 #kJ/mol #Internal calculation -analytic -4.1481835E+2 -3.801405E-2 2.4684244E+4 1.4405042E+2 -2.190106E+6 #References = LogK/DGf: 95bev/pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 01aki/zot; V°: 01aki/zot; 1.000Cu+2 + 1.000SO4-2 = CuSO4 -llnl_gamma 3.4 log_k 2.350 delta_h 7.300 #kJ/mol #07pow/bro -analytic 1.7631488E+3 2.7073722E-1 -9.6741388E+4 -6.3863896E+2 5.6201604E+6 #References = LogK/DGf: 07pow/bro; DHf/DHr: 07pow/bro; S°: Internal calculation; V°: Default value; 1.000Cl- + 1.000Dy+3 = DyCl+2 -llnl_gamma 5.7 log_k 0.248 delta_h 13.769 #kJ/mol #95haa/sho -analytic 8.3240482E+2 1.3607074E-1 -4.72526E+4 -3.0188268E+2 2.911125E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000Cl- + 1.000Dy+3 = DyCl2+ -llnl_gamma 4.1 log_k -0.018 delta_h 17.245 #kJ/mol #95haa/sho -analytic 1.6092072E+3 2.6228525E-1 -8.9639636E+4 -5.8502132E+2 5.4069277E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000Cl- + 1.000Dy+3 = DyCl3 -llnl_gamma 3.4 log_k -0.429 delta_h 8.709 #kJ/mol #95haa/sho -analytic 2.3531558E+3 3.829353E-1 -1.2811742E+5 -8.5790436E+2 7.5362961E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000Cl- + 1.000Dy+3 = DyCl4- -llnl_gamma 3.6 log_k -0.841 delta_h -14.298 #kJ/mol #95haa/sho -analytic 2.2301534E+3 3.6216901E-1 -1.1943024E+5 -8.1506523E+2 6.9711425E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Dy+3 = DyCO3+ + 1.000H+ -llnl_gamma 4.1 log_k -2.316 delta_h -7.263 #kJ/mol #95haa/sho -analytic 7.3151175E+2 1.1889994E-1 -3.6613025E+4 -2.6980602E+2 1.8792518E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Dy+3 + 1.000F- = DyF+2 -llnl_gamma 5.7 log_k 4.702 delta_h 23.183 #kJ/mol #95haa/sho -analytic 9.2537808E+2 1.4948246E-1 -5.2430454E+4 -3.3346772E+2 3.1781321E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Dy+3 + 2.000F- = DyF2+ -llnl_gamma 4.1 log_k 8.231 delta_h 12.519 #kJ/mol #95haa/sho -analytic 1.7736739E+3 2.8506069E-1 -9.8272375E+4 -6.4162369E+2 5.9406617E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Dy+3 + 3.000F- = DyF3 -llnl_gamma 3.4 log_k 10.880 delta_h -12.087 #kJ/mol #95haa/sho -analytic 2.6024499E+3 4.1812618E-1 -1.4078655E+5 -9.4495822E+2 8.374077E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Dy+3 + 4.000F- = DyF4- -llnl_gamma 3.6 log_k 13.016 delta_h -57.465 #kJ/mol #95haa/sho -analytic 2.6223269E+3 4.1563229E-1 -1.3980488E+5 -9.5321842E+2 8.3873693E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Dy+3 + 1.000H2PO4- = DyH2PO4+2 -llnl_gamma 5.7 log_k 0.963 delta_h -7.629 #kJ/mol #95haa/sho -analytic 8.6571276E+2 1.3816756E-1 -4.9784606E+4 -3.1346556E+2 3.2609892E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Dy+3 = DyHCO3+2 -llnl_gamma 5.7 log_k 1.716 delta_h 7.024 #kJ/mol #95haa/sho -analytic 8.7431568E+2 1.400267E-1 -5.0541461E+4 -3.1574276E+2 3.2404154E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Dy+3 + 1.000NO3- = DyNO3+2 -llnl_gamma 5.7 log_k 0.141 delta_h -30.398 #kJ/mol #95haa/sho -analytic 7.9613206E+2 1.2634232E-1 -4.5042889E+4 -2.8965026E+2 3.0344417E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Dy+3 + 1.000H2O = DyO+ + 2.000H+ -llnl_gamma 4.1 log_k -16.111 delta_h 145.698 #kJ/mol #95haa/sho -analytic 2.2134729E+2 3.5633866E-2 -1.5304395E+4 -7.9858383E+1 7.5843612E+4 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Dy+3 + 2.000H2O = DyO2- + 4.000H+ -llnl_gamma 3.6 log_k -33.468 delta_h 253.849 #kJ/mol #95haa/sho -analytic -1.5670382E+2 -2.9389413E-2 5.8222508E+2 5.8571782E+1 -1.3232983E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Dy+3 + 2.000H2O = DyO2H + 3.000H+ -llnl_gamma 3.4 log_k -24.818 delta_h 217.576 #kJ/mol #95haa/sho -analytic 2.6362394E+2 3.8631017E-2 -1.8018305E+4 -9.5260401E+1 -3.3875445E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Dy+3 + 1.000H2O = DyOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -7.828 delta_h 79.083 #kJ/mol #95haa/sho -analytic 1.6882254E+2 2.5734929E-2 -1.198771E+4 -5.9863348E+1 3.5660503E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Dy+3 + 1.000SO4-2 = DySO4+ -llnl_gamma 4.1 log_k 3.723 delta_h 19.765 #kJ/mol #95haa/sho -analytic 1.6458326E+3 2.6071025E-1 -8.928871E+4 -5.9710723E+2 5.079193E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Cl- + 1.000Er+3 = ErCl+2 -llnl_gamma 5.7 log_k 0.321 delta_h 12.603 #kJ/mol #95haa/sho -analytic 8.2676712E+2 1.3504078E-1 -4.67563E+4 -2.9993639E+2 2.8700137E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000Cl- + 1.000Er+3 = ErCl2+ -llnl_gamma 4.1 log_k -0.018 delta_h 15.374 #kJ/mol #95haa/sho -analytic 1.5960588E+3 2.5983481E-1 -8.8470728E+4 -5.8051678E+2 5.3013509E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000Cl- + 1.000Er+3 = ErCl3 -llnl_gamma 3.4 log_k -0.429 delta_h 5.091 #kJ/mol #95haa/sho -analytic 2.3306175E+3 3.7922048E-1 -1.2590783E+5 -8.504052E+2 7.3299428E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000Cl- + 1.000Er+3 = ErCl4- -llnl_gamma 3.6 log_k -0.841 delta_h -20.785 #kJ/mol #95haa/sho -analytic 2.1932191E+3 3.5535427E-1 -1.1596956E+5 -8.0257333E+2 6.6554384E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Er+3 = ErCO3+ + 1.000H+ -llnl_gamma 4.1 log_k -2.169 delta_h -8.973 #kJ/mol #95haa/sho -analytic 7.3934469E+2 1.1995466E-1 -3.6987359E+4 -2.7265916E+2 1.9072191E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Er+3 + 1.000F- = ErF+2 -llnl_gamma 5.7 log_k 4.775 delta_h 24.137 #kJ/mol #95haa/sho -analytic 9.2008982E+2 1.4857189E-1 -5.2017464E+4 -3.3155023E+2 3.133967E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Er+3 + 2.000F- = ErF2+ -llnl_gamma 4.1 log_k 8.377 delta_h 13.054 #kJ/mol #95haa/sho -analytic 1.7618166E+3 2.8294036E-1 -9.7221306E+4 -6.3744761E+2 5.8319659E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Er+3 + 3.000F- = ErF3 -llnl_gamma 3.4 log_k 11.026 delta_h -12.424 #kJ/mol #95haa/sho -analytic 2.5806326E+3 4.1441135E-1 -1.3874827E+5 -9.3745897E+2 8.1677234E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Er+3 + 4.000F- = ErF4- -llnl_gamma 3.6 log_k 13.236 delta_h -60.342 #kJ/mol #95haa/sho -analytic 2.6019304E+3 4.1141589E-1 -1.3733497E+5 -9.4648565E+2 8.1144297E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Er+3 + 1.000H2PO4- = ErH2PO4+2 -llnl_gamma 5.7 log_k 1.037 delta_h -9.794 #kJ/mol #95haa/sho -analytic 8.605117E+2 1.3715286E-1 -4.9285741E+4 -3.1171805E+2 3.2236187E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Er+3 = ErHCO3+2 -llnl_gamma 5.7 log_k 1.789 delta_h 4.984 #kJ/mol #95haa/sho -analytic 8.6599887E+2 1.3856721E-1 -4.9872667E+4 -3.1286569E+2 3.1926771E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Er+3 + 1.000NO3- = ErNO3+2 -llnl_gamma 5.7 log_k 0.141 delta_h -33.891 #kJ/mol #95haa/sho -analytic 7.9270518E+2 1.2553468E-1 -4.4610395E+4 -2.8862531E+2 3.0060762E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Er+3 + 1.000H2O = ErO+ + 2.000H+ -llnl_gamma 4.1 log_k -15.964 delta_h 143.738 #kJ/mol #95haa/sho -analytic 2.2763044E+2 3.6632863E-2 -1.5948969E+4 -8.1967483E+1 1.5996727E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Er+3 + 2.000H2O = ErO2- + 4.000H+ -llnl_gamma 3.6 log_k -32.588 delta_h 246.957 #kJ/mol #95haa/sho -analytic -1.5372142E+2 -2.8947515E-2 6.8194187E+1 5.7811757E+1 -1.2015005E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Er+3 + 2.000H2O = ErO2H + 3.000H+ -llnl_gamma 3.4 log_k -24.305 delta_h 213.151 #kJ/mol #95haa/sho -analytic 2.8747002E+2 4.269491E-2 -1.9686474E+4 -1.0371082E+2 -1.6448388E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Er+3 + 1.000H2O = ErOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -7.755 delta_h 77.916 #kJ/mol #95haa/sho -analytic 1.7672529E+2 2.6971445E-2 -1.2734861E+4 -6.2551071E+1 4.418032E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Er+3 + 1.000SO4-2 = ErSO4+ -llnl_gamma 4.1 log_k 3.649 delta_h 20.059 #kJ/mol #95haa/sho -analytic 1.6363856E+3 2.5910227E-1 -8.883243E+4 -5.9363228E+2 5.0546786E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Cl- + 1.000Eu+2 = EuCl+ -llnl_gamma 4.1 log_k 0.321 delta_h 8.611 #kJ/mol #95haa/sho -analytic 8.7689106E+2 1.4309214E-1 -5.0463111E+4 -3.1771985E+2 3.2177901E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Cl- + 1.000Eu+3 = EuCl+2 -llnl_gamma 5.7 log_k 0.321 delta_h 13.850 #kJ/mol #95haa/sho -analytic 8.238151E+2 1.3443343E-1 -4.6518539E+4 -2.9884573E+2 2.8377358E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000Cl- + 1.000Eu+3 = EuCl2+ -llnl_gamma 4.1 log_k -0.018 delta_h 18.617 #kJ/mol #95haa/sho -analytic 1.5865848E+3 2.5819383E-1 -8.7692605E+4 -5.7710225E+2 5.2039588E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000Cl- + 1.000Eu+2 = EuCl2 -llnl_gamma 3.4 log_k 1.229 delta_h 5.891 #kJ/mol #95haa/sho -analytic 1.6456329E+3 2.6723309E-1 -9.4211704E+4 -5.9644348E+2 6.0241509E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000Cl- + 1.000Eu+3 = EuCl3 -llnl_gamma 3.4 log_k -0.429 delta_h 11.329 #kJ/mol #95haa/sho -analytic 2.3076256E+3 3.7460572E-1 -1.2432252E+5 -8.4187845E+2 7.1478641E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000Cl- + 1.000Eu+2 = EuCl3- -llnl_gamma 3.6 log_k 1.989 delta_h -3.227 #kJ/mol #95haa/sho -analytic 1.8618067E+3 3.0434429E-1 -1.0853988E+5 -6.7402E+2 7.227534E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000Cl- + 1.000Eu+3 = EuCl4- -llnl_gamma 3.6 log_k -0.841 delta_h -9.682 #kJ/mol #95haa/sho -analytic 2.1620221E+3 3.5015112E-1 -1.1348436E+5 -7.9130159E+2 6.3462481E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000Cl- + 1.000Eu+2 = EuCl4-2 -llnl_gamma 4.7 log_k 2.824 delta_h -19.999 #kJ/mol #95haa/sho -analytic 1.916995E+3 3.1639231E-1 -1.1392685E+5 -6.9342232E+2 7.9503781E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Eu+3 = EuCO3+ + 1.000H+ -llnl_gamma 4.1 log_k -2.389 delta_h -6.221 #kJ/mol #95haa/sho -analytic 7.2456116E+2 1.1771798E-1 -3.6310087E+4 -2.6720946E+2 1.8604618E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Eu+2 + 1.000F- = EuF+ -llnl_gamma 4.1 log_k -1.382 delta_h 17.118 #kJ/mol #95haa/sho -analytic 9.0224383E+2 1.4533312E-1 -5.267501E+4 -3.2649187E+2 3.3422662E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Eu+3 + 1.000F- = EuF+2 -llnl_gamma 5.7 log_k 4.482 delta_h 23.440 #kJ/mol #95haa/sho -analytic 9.1671907E+2 1.4780499E-1 -5.1730846E+4 -3.3048004E+2 3.1070113E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Eu+3 + 2.000F- = EuF2+ -llnl_gamma 4.1 log_k 7.791 delta_h 14.031 #kJ/mol #95haa/sho -analytic 1.7496003E+3 2.8072103E-1 -9.629607E+4 -6.3330131E+2 5.7367301E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Eu+2 + 2.000F- = EuF2 -llnl_gamma 3.4 log_k -2.031 delta_h 17.703 #kJ/mol #95haa/sho -analytic 1.8014906E+3 2.9000867E-1 -1.0370843E+5 -6.5304643E+2 6.5578913E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Eu+3 + 3.000F- = EuF3 -llnl_gamma 3.4 log_k 10.293 delta_h -9.114 #kJ/mol #95haa/sho -analytic 2.5563965E+3 4.0979671E-1 -1.3701018E+5 -9.2893272E+2 7.9856509E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Eu+2 + 3.000F- = EuF3- -llnl_gamma 3.6 log_k -2.461 delta_h 3.810 #kJ/mol #95haa/sho -analytic 1.8653631E+3 3.0178367E-1 -1.1030823E+5 -6.7525371E+2 7.3822715E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Eu+3 + 4.000F- = EuF4- -llnl_gamma 3.6 log_k 12.283 delta_h -52.158 #kJ/mol #95haa/sho -analytic 2.5367016E+3 4.0101664E-1 -1.3298926E+5 -9.2331586E+2 7.7116295E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Eu+2 + 4.000F- = EuF4-2 -llnl_gamma 4.7 log_k -2.743 delta_h -37.366 #kJ/mol #95haa/sho -analytic 2.0277848E+3 3.2467665E-1 -1.2234194E+5 -7.3335734E+2 8.6805463E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Eu+3 + 1.000H2PO4- = EuH2PO4+2 -llnl_gamma 5.7 log_k 1.037 delta_h -6.925 #kJ/mol #95haa/sho -analytic 8.5703543E+2 1.3656607E-1 -4.9058459E+4 -3.1037682E+2 3.185406E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Eu+3 = EuHCO3+2 -llnl_gamma 5.7 log_k 1.642 delta_h 8.441 #kJ/mol #95haa/sho -analytic 8.6818797E+2 1.3879631E-1 -4.9995692E+4 -3.1358177E+2 3.1731665E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Eu+3 + 1.000NO3- = EuNO3+2 -llnl_gamma 5.7 log_k 0.874 delta_h -32.212 #kJ/mol #95haa/sho -analytic 7.8646976E+2 1.2464808E-1 -4.4100868E+4 -2.8615161E+2 2.9529873E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Eu+3 + 1.000H2O = EuO+ + 2.000H+ -llnl_gamma 4.1 log_k -16.331 delta_h 148.075 #kJ/mol #95haa/sho -analytic 2.2765249E+2 3.6505777E-2 -1.5847506E+4 -8.2011819E+1 1.0829636E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Eu+3 + 2.000H2O = EuO2- + 4.000H+ -llnl_gamma 3.6 log_k -34.494 delta_h 261.329 #kJ/mol #95haa/sho -analytic -1.5920807E+2 -2.9821979E-2 4.7543806E+2 5.9502961E+1 -1.353429E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Eu+3 + 2.000H2O = EuO2H + 3.000H+ -llnl_gamma 3.4 log_k -25.405 delta_h 222.296 #kJ/mol #95haa/sho -analytic 3.7116681E+2 5.628658E-2 -2.3756441E+4 -1.3463576E+2 -4.6802414E+4 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Eu+3 + 1.000H2O = EuOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -7.901 delta_h 80.374 #kJ/mol #95haa/sho -analytic 1.7258446E+2 2.6194621E-2 -1.2357342E+4 -6.1092439E+1 3.8405339E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Eu+3 + 1.000SO4-2 = EuSO4+ -llnl_gamma 4.1 log_k 3.723 delta_h 20.264 #kJ/mol #95haa/sho -analytic 1.6444036E+3 2.6037942E-1 -8.9254214E+4 -5.9652657E+2 5.076988E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000HCO3- + 1.000Fe+3 = Fe(CO3)2- + 2.000H+ -llnl_gamma 3.6 log_k -1.053 #References = LogK/DGf: 04chi; #References = LogK/DGf: 04chi; V°: Default value; 2.000HCO3- + 1.000Fe+2 = Fe(CO3)2-2 + 2.000H+ -llnl_gamma 4.7 log_k -13.690 delta_h -10.380 #kJ/mol #Internal calculation -analytic 1.6792207E+3 2.4368936E-1 -8.998357E+4 -6.1370379E+2 4.8722193E+6 #References = LogK/DGf: 17bbla; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value; 1.000Fe+2 + 2.000HS- = Fe(HS)2 -llnl_gamma 3.4 log_k 6.450 delta_h -36.849 #kJ/mol #Internal calculation -analytic 1.6097764E+3 2.5928073E-1 -8.6157617E+4 -5.8625727E+2 5.2445791E+6 #References = LogK/DGf: 99dav/phi; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value; 1.000Fe+3 + 4.000H2O = Fe(OH)4- + 4.000H+ -llnl_gamma 3.6 log_k -21.604 delta_h 144.982 #kJ/mol #Internal calculation -analytic -3.5412445E+2 -3.3996622E-2 1.7227197E+4 1.2318536E+2 -1.7723537E+6 #References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 99dia/sch; Cp: 99dia/sch; V°: 99dia/sch; 2.000Fe+3 + 2.000H2O = Fe2(OH)2+4 + 2.000H+ -llnl_gamma 11.6 log_k -2.922 delta_h 56.480 #kJ/mol #76bae/mes -analytic 9.8561666E+2 1.5463064E-1 -5.3189669E+4 -3.5798472E+2 2.628317E+6 #References = LogK/DGf: 07ste; DHf/DHr: 76bae/mes; S°: Internal calculation; V°: Default value; 1.000H2AsO4- + 1.000Fe+3 = FeAsO4 + 2.000H+ -llnl_gamma 3.4 log_k -4.427 delta_h 42.544 #kJ/mol #Internal calculation -analytic 7.6691918E+2 1.2863321E-1 -3.6919146E+4 -2.8354416E+2 1.3992875E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000H2AsO4- + 1.000Fe+2 = FeAsO4- + 2.000H+ -llnl_gamma 3.6 log_k -10.980 delta_h 85.100 #kJ/mol #Internal calculation -analytic 2.4918198E+2 3.4099947E-2 -1.3982837E+4 -9.0834371E+1 1.1856173E+5 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Cl- + 1.000Fe+2 = FeCl+ -llnl_gamma 4.1 log_k -0.160 delta_h 21.550 #kJ/mol #17bbla -analytic 8.1211306E+2 1.3182113E-1 -4.6120838E+4 -2.9423909E+2 2.7725831E+6 #References = LogK/DGf: 04chi; DHf/DHr: 17bbla; S°: Internal calculation; Cp: 97sve/sho; V°: 97sve/sho; 1.000Cl- + 1.000Fe+3 = FeCl+2 -llnl_gamma 5.7 log_k 1.520 delta_h 22.480 #kJ/mol #17bbla -analytic 8.1445764E+2 1.3244659E-1 -4.5719558E+4 -2.9480872E+2 2.7025839E+6 #References = LogK/DGf: 00tag/dia; DHf/DHr: 17bbla; S°: Internal calculation; Cp: 97sve/sho; V°: 97sve/sho; 2.000Cl- + 1.000Fe+3 = FeCl2+ -llnl_gamma 4.1 log_k 0.700 delta_h 22.180 #kJ/mol #17bbla -analytic 1.8008911E+3 2.8747526E-1 -9.8236714E+4 -6.5463437E+2 5.6390215E+6 #References = LogK/DGf: 17bbla; DHf/DHr: 17bbla; S°: Internal calculation; V°: Default value; 2.000Cl- + 1.000Fe+2 = FeCl2 -llnl_gamma 3.4 log_k -1.740 delta_h 9.900 #kJ/mol #17bbla -analytic 1.6056019E+3 2.6112437E-1 -8.8964588E+4 -5.8478635E+2 5.3521165E+6 #References = LogK/DGf: 17bbla; DHf/DHr: 17bbla; S°: Internal calculation; Cp: 97sve/sho; V°: 97sve/sho; 1.000HCO3- + 1.000Fe+3 = FeCO3+ + 1.000H+ -llnl_gamma 4.1 log_k -0.607 delta_h -49.765 #kJ/mol #Internal calculation -analytic 1.1016241E+3 1.7767788E-1 -5.6871574E+4 -4.0520415E+2 3.3951924E+6 #References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; V°: Default value; 1.000HCO3- + 1.000Fe+2 = FeCO3 + 1.000H+ -llnl_gamma 3.4 log_k -5.140 delta_h 14.400 #kJ/mol #17bbla -analytic 9.679726E+2 1.4816095E-1 -5.293247E+4 -3.5269522E+2 2.9308987E+6 #References = LogK/DGf: 17bbla; DHf/DHr: 17bbla; S°: Internal calculation; V°: Default value; 1.000HCO3- + 1.000Fe+2 + 1.000H2O = FeCO3OH- + 2.000H+ -llnl_gamma 3.6 log_k -14.358 #References = LogK/DGf: 04chi; #References = LogK/DGf: 04chi; V°: Default value; 1.000CrO4-2 + 1.000Fe+3 = FeCrO4+ -llnl_gamma 4.1 log_k 7.800 delta_h 19.100 #kJ/mol #96bbar/pal -analytic 1.8409988E+3 2.9366224E-1 -1.0087706E+5 -6.6638423E+2 5.9126109E+6 #References = LogK/DGf: 96bbar/pal; DHf/DHr: 96bbar/pal; S°: Internal calculation; V°: Default value; 1.000F- + 1.000Fe+2 = FeF+ -llnl_gamma 4.1 log_k 1.430 delta_h 0.150 #kJ/mol #Internal calculation -analytic 8.7587621E+2 1.4031911E-1 -4.8713189E+4 -3.178321E+2 2.9830234E+6 #References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; Cp: 97sve/sho; V°: 97sve/sho; 1.000F- + 1.000Fe+3 = FeF+2 -llnl_gamma 5.7 log_k 6.000 delta_h 20.832 #kJ/mol #Internal calculation -analytic 9.0321706E+2 1.4595301E-1 -5.0109539E+4 -3.2568539E+2 2.9532654E+6 #References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; Cp: 97sve/sho; V°: 97sve/sho; 1.000H2AsO3- + 1.000Fe+3 = FeH2AsO3+2 -llnl_gamma 5.7 log_k 7.485 delta_h -47.156 #kJ/mol #Internal calculation -analytic 6.861598E+2 1.010876E-1 -3.5091E+4 -2.4860876E+2 2.1377338E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000H2AsO4- + 1.000Fe+2 = FeH2AsO4+ -llnl_gamma 4.1 log_k 2.966 delta_h -20.323 #kJ/mol #Internal calculation -analytic 8.173727E+2 1.278786E-1 -4.4686163E+4 -2.9663667E+2 2.7869956E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000H2AsO4- + 1.000Fe+3 = FeH2AsO4+2 -llnl_gamma 5.7 log_k 4.433 delta_h -26.990 #kJ/mol #Internal calculation -analytic 8.8043002E+2 1.3378917E-1 -4.8973152E+4 -3.1805275E+2 3.1442912E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Fe+2 + 1.000H2PO4- = FeH2PO4+ -llnl_gamma 4.1 log_k 2.693 #References = LogK/DGf: 72bnri, 76smi/mar; #References = LogK/DGf: 72bnri, 76smi/mar; V°: Default value; 1.000Fe+3 + 1.000H2PO4- = FeH2PO4+2 -llnl_gamma 5.7 log_k 5.423 #References = LogK/DGf: 72cnri; #References = LogK/DGf: 72cnri; V°: Default value; 1.000H2AsO4- + 1.000Fe+2 = FeHAsO4 + 1.000H+ -llnl_gamma 3.4 log_k -3.435 delta_h 3.862 #kJ/mol #Internal calculation -analytic 8.9223042E+2 1.421203E-1 -4.734188E+4 -3.2673886E+2 2.5993229E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000H2AsO4- + 1.000Fe+3 = FeHAsO4+ + 1.000H+ -llnl_gamma 4.1 log_k 3.142 delta_h -13.135 #kJ/mol #Internal calculation -analytic 7.6208406E+2 1.2019338E-1 -3.7827005E+4 -2.7878925E+2 1.9503984E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000HCO3- + 1.000Fe+2 = FeHCO3+ -llnl_gamma 4.1 log_k 1.440 delta_h 3.626 #kJ/mol #Internal calculation -analytic 9.521787E+2 1.4816095E-1 -5.1457764E+4 -3.4565212E+2 2.9308987E+6 #References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; V°: Default value; 1.000Fe+3 + 1.000H2PO4- = FeHPO4+ + 1.000H+ -llnl_gamma 4.1 log_k 3.674 delta_h -29.668 #kJ/mol #Internal calculation -analytic 1.1187415E+3 1.7919221E-1 -5.8323333E+4 -4.0866572E+2 3.4082578E+6 #References = LogK/DGf: 65lah; DHf/DHr: Internal calculation; S°: 65lah; V°: Default value; 1.000Fe+2 + 1.000H2PO4- = FeHPO4 + 1.000H+ -llnl_gamma 3.4 log_k -3.608 #References = LogK/DGf: 72bnri; #References = LogK/DGf: 72bnri; V°: Default value; 1.000Fe+2 + 1.000SO4-2 + 1.000H+ = FeHSO4+ -llnl_gamma 4.1 log_k 1.740 delta_h 9.900 #kJ/mol #17bbla -analytic 1.6672872E+3 2.7084605E-1 -9.272565E+4 -6.0568591E+2 5.6388409E+6 #References = LogK/DGf: 17bbla; DHf/DHr: 17bbla; S°: Internal calculation; V°: Default value; 1.000Fe+3 + 1.000SO4-2 + 1.000H+ = FeHSO4+2 -llnl_gamma 5.7 log_k 2.480 delta_h 75.275 #kJ/mol #Internal calculation -analytic 1.921485E+3 3.0036299E-1 -1.0795589E+5 -6.9313976E+2 6.1031346E+6 #References = LogK/DGf: 08bla; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value; 1.000Fe+2 + 1.000H2O = FeO + 2.000H+ -llnl_gamma 3.4 log_k -20.601 delta_h 119.662 #kJ/mol #76bae/mes -analytic 2.9801735E+2 4.8033373E-2 -2.1047608E+4 -1.0934625E+2 7.3112082E+5 #References = LogK/DGf: 04chi; DHf/DHr: 76bae/mes; S°: Internal calculation; Cp: 97asho/sas; V°: 97asho/sas; 1.000Fe+3 + 1.000H2O = FeO+ + 2.000H+ -llnl_gamma 4.1 log_k -5.483 delta_h 79.606 #kJ/mol #97asho/sas -analytic 2.4453735E+2 3.9811555E-2 -1.3316723E+4 -8.8609916E+1 1.8080609E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 97asho/sas; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Fe+2 + 1.000H2O = FeOH+ + 1.000H+ -llnl_gamma 4.1 log_k -9.501 delta_h 55.228 #kJ/mol #76bae/mes -analytic 2.0044169E+2 3.0052015E-2 -1.394772E+4 -7.2506144E+1 6.480235E+5 #References = LogK/DGf: 76bae/mes; DHf/DHr: 76bae/mes; S°: Internal calculation; Cp: 97asho/sas; V°: 97asho/sas; 1.000Fe+3 + 1.000H2O = FeOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -2.191 delta_h 35.903 #kJ/mol #Internal calculation -analytic 1.8256378E+2 2.847781E-2 -1.0694132E+4 -6.5541931E+1 4.2687247E+5 #References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Fe+2 + 1.000H2PO4- = FePO4- + 2.000H+ -llnl_gamma 3.6 log_k -11.626 #References = LogK/DGf: 79mat/spo; #References = LogK/DGf: 79mat/spo; V°: Default value; 1.000Fe+3 + 1.000SO4-2 = FeSO4+ -llnl_gamma 4.1 log_k 4.250 delta_h 26.000 #kJ/mol #17bbla -analytic 1.9864651E+3 3.0036299E-1 -1.0858023E+5 -7.1783875E+2 6.1031346E+6 #References = LogK/DGf: 17bbla; DHf/DHr: 17bbla; S°: Internal calculation; V°: Default value; 1.000Fe+2 + 1.000SO4-2 = FeSO4 -llnl_gamma 3.4 log_k 2.440 delta_h 8.400 #kJ/mol #17bbla -analytic 1.7511642E+3 2.7084605E-1 -9.6361704E+4 -6.3437191E+2 5.6388409E+6 #References = LogK/DGf: 17bbla; DHf/DHr: 17bbla; S°: Internal calculation; V°: Default value; 1.000Ga+3 + 2.000H2O = Ga(OH)2+ + 2.000H+ -llnl_gamma 4.5 log_k -7.270 delta_h 74.711 #kJ/mol #Internal calculation -analytic -9.322444E+2 -1.7256427E-1 4.3134662E+4 3.4785755E+2 -2.5780056E+6 #References = LogK/DGf: 97ben/dia; DHf/DHr: Internal calculation; S°: 97ben/dia; Cp: 97ben/dia; V°: 97ben/dia; 1.000Ga+3 + 3.000H2O = Ga(OH)3 + 3.000H+ -llnl_gamma 3.0 log_k -11.924 delta_h 104.965 #kJ/mol #Internal calculation -analytic -9.2015042E+2 -1.7507184E-1 4.0677481E+4 3.445661E+2 -2.5437331E+6 #References = LogK/DGf: 97ben/dia; DHf/DHr: Internal calculation; S°: 97ben/dia; Cp: 97ben/dia; V°: 97ben/dia; 1.000Ga+3 + 4.000H2O = Ga(OH)4- + 4.000H+ -llnl_gamma 4.5 log_k -15.633 delta_h 106.332 #kJ/mol #99dia/sch -analytic -1.342829E+3 -2.4411019E-1 6.3111904E+4 4.97759E+2 -3.8555639E+6 #References = LogK/DGf: 99dia/sch; DHf/DHr: Internal calculation; S°: 99dia/sch; Cp: 99dia/sch; V°: 99dia/sch; 1.000Ga+3 + 1.000H2O = GaOH+2 + 1.000H+ -llnl_gamma 4.5 log_k -2.836 delta_h 93.041 #kJ/mol #Internal calculation -analytic 2.0217371E+2 1.66864E-2 -1.72604E+4 -6.5163316E+1 8.1329418E+5 #References = LogK/DGf: 97ben/dia; DHf/DHr: Internal calculation; S°: 97ben/dia; Cp: 97ben/dia; V°: 97ben/dia; 1.000Cl- + 1.000Gd+3 = GdCl+2 -llnl_gamma 5.7 log_k -0.053 delta_h 14.848 #kJ/mol #95haa/sho -analytic 8.2939993E+2 1.3564543E-1 -4.693983E+4 -3.0089682E+2 2.8526372E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000Cl- + 1.000Gd+3 = GdCl2+ -llnl_gamma 4.1 log_k -0.392 delta_h 20.988 #kJ/mol #95haa/sho -analytic 1.5972152E+3 2.602796E-1 -8.8497171E+4 -5.8088986E+2 5.2434214E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000Cl- + 1.000Gd+3 = GdCl3 -llnl_gamma 3.4 log_k -0.804 delta_h 15.944 #kJ/mol #95haa/sho -analytic 2.3148468E+3 3.7577571E-1 -1.252276E+5 -8.4411193E+2 7.2027801E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000Cl- + 1.000Gd+3 = GdCl4- -llnl_gamma 3.6 log_k -1.216 delta_h -1.574 #kJ/mol #95haa/sho -analytic 2.1880502E+3 3.5487598E-1 -1.1553806E+5 -8.0028406E+2 6.4621111E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Gd+3 = GdCO3+ + 1.000H+ -llnl_gamma 4.1 log_k -2.837 delta_h -4.804 #kJ/mol #95haa/sho -analytic 7.1898344E+2 1.1724319E-1 -3.6101843E+4 -2.65239E+2 1.8335482E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000F- + 1.000Gd+3 = GdF+2 -llnl_gamma 5.7 log_k 4.254 delta_h 21.107 #kJ/mol #95haa/sho -analytic 9.2090464E+2 1.4871256E-1 -5.1959824E+4 -3.3213443E+2 3.1227998E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000F- + 1.000Gd+3 = GdF2+ -llnl_gamma 4.1 log_k 7.636 delta_h 11.154 #kJ/mol #95haa/sho -analytic 1.7544539E+3 2.8176381E-1 -9.6609943E+4 -6.351642E+2 5.7672383E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000F- + 1.000Gd+3 = GdF3 -llnl_gamma 3.4 log_k 10.212 delta_h -11.536 #kJ/mol #95haa/sho -analytic 2.5626765E+3 4.1096658E-1 -1.3754757E+5 -9.3116571E+2 8.0405607E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000F- + 1.000Gd+3 = GdF4- -llnl_gamma 3.6 log_k 12.275 delta_h -52.254 #kJ/mol #95haa/sho -analytic 2.5335377E+3 4.0124876E-1 -1.3314097E+5 -9.2202279E+2 7.7468286E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Gd+3 + 1.000H2PO4- = GdH2PO4+2 -llnl_gamma 5.7 log_k 0.662 delta_h -4.679 #kJ/mol #95haa/sho -analytic 8.6261287E+2 1.3781172E-1 -4.9518141E+4 -3.1236628E+2 3.1979618E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Gd+3 = GdHCO3+2 -llnl_gamma 5.7 log_k 1.341 delta_h 10.143 #kJ/mol #95haa/sho -analytic 8.7789277E+2 1.4065577E-1 -5.0654894E+4 -3.1707264E+2 3.1988156E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Gd+3 + 1.000NO3- = GdNO3+2 -llnl_gamma 5.7 log_k 0.060 delta_h -25.460 #kJ/mol #95haa/sho -analytic 7.9142958E+2 1.2589444E-1 -4.4712191E+4 -2.8783408E+2 2.9590175E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Gd+3 + 1.000H2O = GdO+ + 2.000H+ -llnl_gamma 4.1 log_k -16.705 delta_h 150.071 #kJ/mol #95haa/sho -analytic 2.2786336E+2 3.6738867E-2 -1.5618443E+4 -8.2275166E+1 3.9714967E+4 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Gd+3 + 2.000H2O = GdO2- + 4.000H+ -llnl_gamma 3.6 log_k -34.795 delta_h 263.904 #kJ/mol #95haa/sho -analytic -1.8390206E+2 -3.3109244E-2 2.4553508E+3 6.8032643E+1 -1.5644536E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Gd+3 + 2.000H2O = GdO2H + 3.000H+ -llnl_gamma 3.4 log_k -25.633 delta_h 223.954 #kJ/mol #95haa/sho -analytic 2.2889116E+2 3.2627784E-2 -1.5762248E+4 -8.2787565E+1 -5.8069709E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Gd+3 + 1.000H2O = GdOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -8.276 delta_h 81.996 #kJ/mol #95haa/sho -analytic 1.6984519E+2 2.6018714E-2 -1.1975007E+4 -6.0299596E+1 3.1054152E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Gd+3 + 1.000SO4-2 = GdSO4+ -llnl_gamma 4.1 log_k 3.348 delta_h 19.640 #kJ/mol #95haa/sho -analytic 1.6474744E+3 2.6115913E-1 -8.9441961E+4 -5.9776996E+2 5.0795308E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ge(OH)4 = GeO(OH)3- + 1.000H+ -llnl_gamma 4.5 log_k -9.309 delta_h 27.364 #kJ/mol #98pok/sch -analytic -2.3900584E+2 -5.2430474E-2 9.7373089E+3 8.88644E+1 -6.4175606E+5 #References = LogK/DGf: 98pok/sch; DHf/DHr: Internal calculation; S°: 98pok/sch; Cp: 98pok/sch; V°: 98pok/sch; 3.000H2AsO3- + 6.000HS- + 8.000H+ = H2As3S6- + 9.000H2O -llnl_gamma 3.6 log_k 100.896 delta_h -503.405 #kJ/mol #Internal calculation -analytic 4.9991939E+3 8.103392E-1 -2.476806E+5 -1.8164716E+3 1.6495466E+7 #References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app; 1.000CrO4-2 + 2.000H+ = H2CrO4 -llnl_gamma 3.4 log_k 6.320 delta_h 39.595 #kJ/mol #Internal calculation -analytic 1.3545703E+3 2.1151276E-1 -7.6293524E+4 -4.8721485E+2 4.4587391E+6 #References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; V°: Default value; 0.666666666666667N2 + 0.666666666666667NO2- + 0.666666666666667H2O + 0.666666666666667H+ = H2N2O2 -llnl_gamma 3.4 log_k -35.640 delta_h 210.897 #kJ/mol #97asho/sas -analytic 5.5135053E+2 8.3220208E-2 -4.1015812E+4 -1.9948206E+2 1.7219364E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 2.000H2PO4- = H2P2O7-2 + 1.000H2O -llnl_gamma 4.7 log_k -1.759 delta_h 24.397 #kJ/mol #Internal calculation -analytic 9.4821779E+1 1.5740091E-2 -8.6638259E+3 -3.2312144E+1 6.879313E+5 #References = LogK/DGf: 92gre/fug; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000F- + 1.000H2PO4- + 2.000H+ = H2PO3F + 1.000H2O -llnl_gamma 3.4 log_k 3.725 #References = LogK/DGf: 82wag/eva; #References = LogK/DGf: 82wag/eva; V°: Default value; 1.000HS- + 1.000H+ = H2S -llnl_gamma 3.4 log_k 6.989 delta_h -22.300 #kJ/mol #89cox/wag -analytic 7.4840235E+2 1.1981739E-1 -4.1346833E+4 -2.7032197E+2 2.7054412E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho; 1.000S2O3-2 + 2.000H+ = H2S2O3 -llnl_gamma 3.4 log_k 2.320 delta_h 22.916 #kJ/mol #Internal calculation -analytic 1.4978457E+3 2.3814241E-1 -8.4048537E+4 -5.4206379E+2 5.0379338E+6 #References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000S2O4-2 + 2.000H+ = H2S2O4 -llnl_gamma 3.4 log_k 2.800 delta_h 20.193 #kJ/mol #Internal calculation -analytic 1.5238086E+3 2.4187759E-1 -8.5503757E+4 -5.5133352E+2 5.1465289E+6 #References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 4.000HS- + 2.000Sb(OH)3 + 4.000H+ = H2Sb2S4 + 6.000H2O -llnl_gamma 3.4 log_k 58.089 delta_h -307.718 #kJ/mol #Internal calculation -analytic 2.5377019E+3 4.1753376E-1 -1.2186629E+5 -9.2465532E+2 8.2351176E+6 #References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app; 1.000SeO3-2 + 2.000H+ = H2SeO3 -llnl_gamma 3.4 log_k 9.859 delta_h 1.856 #kJ/mol #97asho/sas -analytic 1.5653221E+3 2.4888692E-1 -8.6809664E+4 -5.6508325E+2 5.3117245E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000H4SiO4 = H2SiO4-2 + 2.000H+ -llnl_gamma 4.7 log_k -23.270 delta_h 75.000 #kJ/mol #92gre/fug -analytic 5.0628236E+2 4.2835675E-2 -3.4394739E+4 -1.8000322E+2 1.639456E+6 #References = LogK/DGf: 01fel/cho; DHf/DHr: 92gre/fug; S°: Internal calculation; V°: Default value; 1.000SO3-2 + 2.000H+ = H2SO3 -llnl_gamma 3.4 log_k 9.030 delta_h 21.452 #kJ/mol #Internal calculation -analytic 1.2947587E+3 2.1816277E-1 -7.3029473E+4 -4.6771565E+2 4.5780174E+6 #References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; V°: Default value; 1.000VO2+ + 2.000H2O = H2VO4- + 2.000H+ -llnl_gamma 3.6 log_k -7.087 delta_h 47.506 #kJ/mol #97asho/sas -analytic -1.6588352E+2 -3.4517213E-2 4.0275461E+3 6.3757317E+1 -1.9414525E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 3.000H2AsO3- + 6.000HS- + 9.000H+ = H3As3S6 + 9.000H2O -llnl_gamma 3.4 log_k 104.476 delta_h -520.971 #kJ/mol #Internal calculation -analytic 5.0101536E+3 8.125097E-1 -2.467788E+5 -1.820706E+3 1.6444457E+7 #References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app; 1.000H2AsO4- + 1.000H+ = H3AsO4 -llnl_gamma 3.4 log_k 2.302 delta_h 11.056 #kJ/mol #Internal calculation -analytic 1.6315798E+2 4.072998E-2 -7.3546098E+3 -6.1578275E+1 3.590386E+5 #References = LogK/DGf: 08per/pok; DHf/DHr: Internal calculation; S°: 08per/pok; Cp: 08per/pok; V°: 08per/pok; 2.000H2PO4- + 1.000H+ = H3P2O7- + 1.000H2O -llnl_gamma 3.6 log_k 0.491 delta_h 26.523 #kJ/mol #Internal calculation -analytic 8.0953847E+2 1.2990245E-1 -4.7077964E+4 -2.9196531E+2 2.8953565E+6 #References = LogK/DGf: 92gre/fug; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000H2PO2- + 1.000H+ = H3PO2 -llnl_gamma 3.4 log_k 1.969 delta_h 4.727 #kJ/mol #97asho/sas -analytic 6.8841114E+2 1.0842457E-1 -3.7570856E+4 -2.4947114E+2 2.1818456E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 97asho/sas; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000H2PO3- + 1.000H+ = H3PO3 -llnl_gamma 3.4 log_k 1.777 delta_h 4.700 #kJ/mol #97asho/sas -analytic 7.1612262E+2 1.1249217E-1 -3.9032373E+4 -2.5960307E+2 2.2579858E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 97asho/sas; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000H2PO4- + 1.000H+ = H3PO4 -llnl_gamma 3.4 log_k 2.140 delta_h 8.480 #kJ/mol #92gre/fug -analytic 7.1025502E+2 1.1203519E-1 -3.9337065E+4 -2.5690201E+2 2.3206641E+6 #References = LogK/DGf: 92gre/fug; DHf/DHr: 92gre/fug; S°: Internal calculation; Cp: 89bsho/hel; V°: 89bsho/hel; 1.000VO2+ + 2.000H2O = H3VO4 + 1.000H+ -llnl_gamma 3.4 log_k -3.268 delta_h 35.811 #kJ/mol #97asho/sas -analytic 3.4737348E+2 4.8356993E-2 -2.0930147E+4 -1.24101E+2 1.0863345E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 2.000H2PO4- + 2.000H+ = H4P2O7 + 1.000H2O -llnl_gamma 3.4 log_k 1.491 delta_h 39.160 #kJ/mol #92gre/fug -analytic 1.5915746E+3 2.5209768E-1 -9.0201163E+4 -5.7514933E+2 5.3743838E+6 #References = LogK/DGf: 92gre/fug; DHf/DHr: 92gre/fug; S°: Internal calculation; Cp: 97asho/sas; V°: 97asho/sas; 1.000Al+3 + 2.000H2O = HAlO2 + 3.000H+ -llnl_gamma 3.4 log_k -16.422 delta_h 144.672 #kJ/mol #Internal calculation -analytic 3.4561264E+2 6.0310894E-2 -2.5787154E+4 -1.2375721E+2 1.129243E+6 #References = LogK/DGf: 95pok/hel; DHf/DHr: Internal calculation; S°: 95pok/hel; Cp: 95pok/hel; V°: 95pok/hel; 3.000H2AsO3- + 6.000HS- + 7.000H+ = HAs3S6-2 + 9.000H2O -llnl_gamma 4.7 log_k 92.989 delta_h -475.787 #kJ/mol #Internal calculation -analytic 4.0596965E+3 6.6336637E-1 -1.9822099E+5 -1.4758773E+3 1.3539198E+7 #References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app; 1.000H2AsO4- = HAsO4-2 + 1.000H+ -llnl_gamma 4.7 log_k -6.960 delta_h 4.300 #kJ/mol #Internal calculation -analytic -7.5496385E+2 -1.2127676E-1 4.1238614E+4 2.724917E+2 -2.5259453E+6 #References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Be+2 + 2.000H2O = HBeO2- + 3.000H+ -llnl_gamma 3.6 log_k -23.242 delta_h 89.448 #kJ/mol #97asho/sas -analytic -1.2687707E+2 -2.7577326E-2 -1.2642123E+3 4.6771863E+1 3.2277325E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Br- + 1.000H+ = HBr -llnl_gamma 3.4 log_k -8.600 delta_h 73.414 #kJ/mol #18las/bla -analytic -2.5897713E+2 -2.5546307E-2 9.8674943E+3 9.3502034E+1 -5.7484365E+5 #References = LogK/DGf: 12liu/bor; DHf/DHr: 18las/bla; S°: Internal calculation; Cp: 18las/bla; V°: 18las/bla; 1.000BrO- + 1.000H+ = HBrO -llnl_gamma 3.4 log_k 8.576 delta_h -18.890 #kJ/mol #97asho/sas -analytic 7.2538439E+2 1.148023E-1 -3.88363E+4 -2.6179537E+2 2.4015962E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cd+2 + 2.000H2O = HCdO2- + 3.000H+ -llnl_gamma 3.6 log_k -33.302 delta_h 156.474 #kJ/mol #Internal calculation -analytic -3.0951893E+2 -5.4688749E-2 8.3874974E+3 1.1156503E+2 -1.0373718E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cl- + 1.000H+ = HCl -llnl_gamma 3.4 log_k -0.710 delta_h -12.298 #kJ/mol #Internal calculation -analytic 4.7680293E+2 9.0812819E-2 -2.5456962E+4 -1.7702289E+2 1.6734984E+6 #References = LogK/DGf: 97tag/zot; DHf/DHr: Internal calculation; S°: 99aki/zot, d'apres 97tag/zot; Cp: 99aki/zot, d'apres 97tag/zot; V°: 99aki/zot, d'apres 97tag/zot; 1.000ClO- + 1.000H+ = HClO -llnl_gamma 3.4 log_k 7.550 delta_h -13.281 #kJ/mol #97asho/sas -analytic 7.2521427E+2 1.147631E-1 -3.9121157E+4 -2.617469E+2 2.4008033E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000ClO2- + 1.000H+ = HClO2 -llnl_gamma 3.4 log_k 1.979 delta_h 14.650 #kJ/mol #97asho/sas -analytic 7.8823184E+2 1.2433314E-1 -4.4591623E+4 -2.8450217E+2 2.6863984E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000CN- + 1.000H+ = HCN -llnl_gamma 3.4 log_k 9.236 delta_h -43.612 #kJ/mol #93sho/mck -analytic 6.7984155E+2 1.0836058E-1 -3.6475824E+4 -2.4584018E+2 2.4661309E+6 #References = LogK/DGf: 93sho/mck; DHf/DHr: Internal calculation; S°: 93sho/mck; Cp: 93sho/mck; V°: 93sho/mck; 1.000Co+2 + 2.000H2O = HCoO2- + 3.000H+ -llnl_gamma 3.6 log_k -31.702 delta_h 139.444 #kJ/mol #Internal calculation -analytic -1.5068561E+2 -3.116226E-2 -1.6802729E+3 5.4958317E+1 -1.8494349E+5 #References = LogK/DGf: 98ply/zha; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cr+3 + 2.000H2O = HCrO2 + 3.000H+ -llnl_gamma 3.4 log_k -16.192 delta_h 154.241 #kJ/mol #97asho/sas -analytic 4.1185363E+2 6.4897144E-2 -2.5827678E+4 -1.4869592E+2 6.373717E+5 #References = LogK/DGf: 87rai/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000CrO4-2 + 1.000H+ = HCrO4- -llnl_gamma 3.6 log_k 6.520 delta_h 7.379 #kJ/mol #97asho/sas -analytic 8.4378241E+2 1.3502825E-1 -4.7404104E+4 -3.037181E+2 2.9338129E+6 #References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cu+2 + 2.000H2O = HCuO2- + 3.000H+ -llnl_gamma 3.6 log_k -26.602 delta_h 139.438 #kJ/mol #Internal calculation -analytic 4.6058039E+1 2.3361402E-3 -7.4761642E+3 -1.8185832E+1 -2.9172674E+5 #References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000F- + 1.000H+ = HF -llnl_gamma 3.4 log_k 3.208 delta_h 13.871 #kJ/mol #89bsho/hel -analytic 6.6852284E+2 1.0837606E-1 -3.7234833E+4 -2.4152987E+2 2.2142303E+6 #References = LogK/DGf: 89bsho/hel; DHf/DHr: Internal calculation; S°: 89bsho/hel; Cp: 89bsho/hel; V°: 89bsho/hel; 2.000F- + 1.000H+ = HF2- -llnl_gamma 3.6 log_k 2.630 delta_h 20.783 #kJ/mol #88sho/hel -analytic 7.3982947E+2 1.1859444E-1 -4.0367467E+4 -2.6775489E+2 2.2558689E+6 #References = LogK/DGf: 88sho/hel; DHf/DHr: Internal calculation; S°: 88sho/hel; Cp: 88sho/hel; V°: 88sho/hel; 1.000Fe+3 + 2.000H2O = HFeO2 + 3.000H+ -llnl_gamma 3.4 log_k -14.302 delta_h 150.625 #kJ/mol #Internal calculation -analytic 3.2853473E+2 5.0357636E-2 -1.9143962E+4 -1.1889896E+2 5.0313883E+4 #References = LogK/DGf: 07ste; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Fe+2 + 2.000H2O = HFeO2- + 3.000H+ -llnl_gamma 3.6 log_k -31.932 delta_h 152.121 #kJ/mol #Internal calculation -analytic -1.7417344E+2 -3.4755142E-2 -2.4333271E+2 6.3714895E+1 -3.7678014E+5 #References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Hf+4 + 1.000H2O = HfO+2 + 2.000H+ -llnl_gamma 5.7 log_k -2.404 delta_h 73.943 #kJ/mol #97asho/sas -analytic 2.5312717E+2 4.1789098E-2 -1.454566E+4 -9.040826E+1 4.0050254E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Hf+4 + 2.000H2O = HfO2 + 4.000H+ -llnl_gamma 3.4 log_k -10.671 delta_h 101.647 #kJ/mol #97asho/sas -analytic 6.8189581E+2 1.1294646E-1 -4.0735993E+4 -2.4738855E+2 2.0031066E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Hf+4 + 1.000H2O = HfOH+3 + 1.000H+ -llnl_gamma 8.2 log_k -0.205 delta_h 28.209 #kJ/mol #97asho/sas -analytic 2.2758035E+2 3.5899887E-2 -1.4701237E+4 -8.0521313E+1 8.9465128E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Hg+2 + 2.000HS- = Hg(HS)2 -llnl_gamma 3.4 log_k 39.759 delta_h -194.111 #kJ/mol #Internal calculation -analytic 1.5703216E+3 2.4882639E-1 -7.6283746E+4 -5.687585E+2 5.1969628E+6 #References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app; 1.000Hg+2 + 2.000H2O = Hg(OH)2 + 2.000H+ -llnl_gamma 3.4 log_k -6.077 delta_h 50.266 #kJ/mol #Internal calculation -analytic 2.971886E+2 4.0966815E-2 -1.7978686E+4 -1.0663777E+2 7.7240412E+5 #References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 12bla; Cp: 05bes/app; V°: 05bes/app; 1.000HCO3- + 1.000Hg+2 + 1.000H2O = Hg(OH)CO3- + 2.000H+ -llnl_gamma 3.6 log_k -5.095 #References = LogK/DGf: 05pow/bro; #References = LogK/DGf: 05pow/bro; V°: Default value; 1.000Hg2+2 + 1.000H2O = Hg2(OH)+ + 1.000H+ -llnl_gamma 4.1 log_k -5.000 #References = LogK/DGf: 76bae/mes; #References = LogK/DGf: 76bae/mes; V°: Default value; 2.000Hg+2 + 1.000H2O = Hg2(OH)+3 + 1.000H+ -llnl_gamma 8.2 log_k -3.331 delta_h 12.803 #kJ/mol #76bae/mes -analytic 6.0697682E+2 9.0887971E-2 -3.2328388E+4 -2.2128194E+2 1.6508927E+6 #References = LogK/DGf: 76bae/mes; DHf/DHr: 76bae/mes; S°: Internal calculation; V°: Default value; 3.000Hg+2 + 3.000H2O = Hg3(OH)3+3 + 3.000H+ -llnl_gamma 8.2 log_k -6.420 #References = LogK/DGf: 76bae/mes; #References = LogK/DGf: 76bae/mes; V°: Default value; 1.000Hg+2 + 1.000Cl- = HgCl+ -llnl_gamma 4.1 log_k 7.210 delta_h -32.683 #kJ/mol #Internal calculation -analytic 8.3901583E+2 1.3660114E-1 -4.5239944E+4 -3.0460502E+2 2.927023E+6 #References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 2.000Cl- + 1.000Hg+2 = HgCl2 -llnl_gamma 3.4 log_k 13.980 delta_h -72.022 #kJ/mol #Internal calculation -analytic 1.6287495E+3 2.6423846E-1 -8.7764608E+4 -5.9148288E+2 5.7245183E+6 #References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 3.000Cl- + 1.000Hg+2 = HgCl3- -llnl_gamma 3.6 log_k 15.060 delta_h -87.739 #kJ/mol #Internal calculation -analytic 1.7509092E+3 2.8618938E-1 -9.6316342E+4 -6.3530694E+2 6.5688389E+6 #References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 4.000Cl- + 1.000Hg+2 = HgCl4-2 -llnl_gamma 4.7 log_k 15.420 delta_h -109.352 #kJ/mol #Internal calculation -analytic 1.6653853E+3 2.7781516E-1 -9.2970467E+4 -6.0481422E+2 6.7205177E+6 #References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000HCO3- + 1.000Hg+2 = HgCO3 + 1.000H+ -llnl_gamma 3.4 log_k 1.050 #References = LogK/DGf: 05pow/bro; #References = LogK/DGf: 05pow/bro; V°: Default value; 1.000F- + 1.000Hg+2 = HgF+ -llnl_gamma 4.1 log_k 1.667 delta_h -0.202 #kJ/mol #97sve/sho -analytic 8.7968293E+2 1.4114324E-1 -4.9515548E+4 -3.1880911E+2 3.0980174E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000HCO3- + 1.000Hg+2 = HgHCO3+ -llnl_gamma 4.1 log_k 5.380 #References = LogK/DGf: 05pow/bro; #References = LogK/DGf: 05pow/bro; V°: Default value; 1.000Hg+2 + 1.000H2PO4- = HgHPO4 + 1.000H+ -llnl_gamma 3.4 log_k 1.587 #References = LogK/DGf: 05pow/bro; #References = LogK/DGf: 05pow/bro; V°: Default value; 1.000Hg+2 + 1.000H2O = HgOH+ + 1.000H+ -llnl_gamma 4.1 log_k -3.401 delta_h 30.174 #kJ/mol #Internal calculation -analytic 2.7849935E+2 4.2311865E-2 -1.7809238E+4 -9.9688771E+1 1.0569599E+6 #References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Hg+2 + 1.000Cl- + 1.000H2O = HgOHCl + 1.000H+ -llnl_gamma 3.4 log_k 4.059 delta_h 0.005 #kJ/mol #76bae/mes -analytic 9.6186198E+2 1.4814612E-1 -5.1533752E+4 -3.4834297E+2 2.9178616E+6 #References = LogK/DGf: 76bae/mes; DHf/DHr: 76bae/mes; S°: Internal calculation; V°: Default value; 1.000Hg+2 + 1.000H2PO4- = HgPO4- + 2.000H+ -llnl_gamma 3.6 log_k -3.962 #References = LogK/DGf: 05pow/bro; #References = LogK/DGf: 05pow/bro; V°: Default value; 1.000Hg+2 + 2.000HS- = HgS(HS)- + 1.000H+ -llnl_gamma 3.6 log_k 33.628 delta_h -176.127 #kJ/mol #Internal calculation -analytic 1.0519009E+3 1.6731094E-1 -4.8800006E+4 -3.8143256E+2 3.4978736E+6 #References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app; 1.000Hg+2 + 2.000HS- = HgS2-2 + 2.000H+ -llnl_gamma 4.7 log_k 25.328 #References = LogK/DGf: 63sch/wid; #References = LogK/DGf: 63sch/wid; V°: Default value; 1.000Hg + 1.000HSO5- + 1.000H+ = HgSO4 + 1.000H2O -llnl_gamma 3.4 log_k 39.255 #References = LogK/DGf: 05pow/bro; #References = LogK/DGf: 05pow/bro; V°: Default value; 1.000Hf+4 + 2.000H2O = HHfO2+ + 3.000H+ -llnl_gamma 4.1 log_k -5.980 delta_h 67.509 #kJ/mol #97asho/sas -analytic 6.5804843E+2 1.0343865E-1 -4.0925588E+4 -2.3620182E+2 2.387873E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Hf+4 + 3.000H2O = HHfO3- + 5.000H+ -llnl_gamma 3.6 log_k -17.180 delta_h 131.409 #kJ/mol #97asho/sas -analytic 1.5398918E+2 1.91636E-2 -1.5488751E+4 -5.2861288E+1 5.2167683E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Hg+2 + 2.000H2O = HHgO2- + 3.000H+ -llnl_gamma 3.6 log_k -21.102 delta_h 92.387 #kJ/mol #Internal calculation -analytic -3.5527596E+2 -6.25913E-2 1.6060615E+4 1.275503E+2 -1.4798029E+6 #References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000In+3 + 2.000H2O = HInO2 + 3.000H+ -llnl_gamma 3.4 log_k -12.431 delta_h 141.752 #kJ/mol #97asho/sas -analytic 2.9395295E+2 4.4420963E-2 -1.6132337E+4 -1.065324E+2 -1.6997303E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000IO- + 1.000H+ = HIO -llnl_gamma 3.4 log_k 10.629 delta_h -30.480 #kJ/mol #97asho/sas -analytic 6.4142751E+2 1.020626E-1 -3.3047675E+4 -2.3170778E+2 2.0409305E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000IO3- + 1.000H+ = HIO3 -llnl_gamma 3.4 log_k 0.806 delta_h 9.868 #kJ/mol #97asho/sas -analytic 7.165435E+2 1.1308494E-1 -4.0076773E+4 -2.5940292E+2 2.3859256E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Mn+2 + 2.000H2O = HMnO2- + 3.000H+ -llnl_gamma 3.6 log_k -34.787 delta_h 165.700 #kJ/mol #97asho/sas -analytic -2.9963926E+2 -5.2516471E-2 7.7242198E+3 1.0769592E+2 -1.0563926E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000MoO4-2 + 1.000H+ = HMoO4- -llnl_gamma 3.6 log_k 4.398 delta_h 4.211 #kJ/mol #97asho/sas -analytic 7.9783743E+2 1.285935E-1 -4.5529953E+4 -2.8764197E+2 2.9050307E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.666666666666667N2 + 0.666666666666667NO2- + 0.666666666666667H2O = HN2O2- + 0.333333333333333H+ -llnl_gamma 3.6 log_k -42.676 delta_h 228.610 #kJ/mol #97asho/sas -analytic -2.2857803E+2 -3.9101606E-2 7.0800973E+2 8.2558503E+1 -8.0898012E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000NbO3- + 1.000H+ = HNbO3 -llnl_gamma 3.4 log_k 7.110 delta_h -5.781 #kJ/mol #97asho/sas -analytic 9.7365947E+2 1.5468696E-1 -5.4364891E+4 -3.5110732E+2 3.4191631E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Ni+2 + 2.000H2O = HNiO2- + 3.000H+ -llnl_gamma 3.6 log_k -31.502 delta_h 128.446 #kJ/mol #Internal calculation -analytic -1.1258582E+2 -2.5264697E-2 -4.274717E+3 4.1154062E+1 9.963932E+4 #References = LogK/DGf: 12bla; DHf/DHr: Internal calculation; S°: 12coo/oli; Cp: 97asho/sas; V°: 97asho/sas; 1.000NO2- + 1.000H+ = HNO2 -llnl_gamma 3.4 log_k 3.225 delta_h -14.668 #kJ/mol #97asho/sas -analytic 6.4401715E+2 1.0196656E-1 -3.4771091E+4 -2.3381642E+2 2.1328223E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000NO3- + 1.000H+ = HNO3 -llnl_gamma 3.4 log_k -1.303 delta_h 16.890 #kJ/mol #97asho/sas -analytic 7.1469352E+2 1.122887E-1 -4.0454469E+4 -2.5890316E+2 2.3867006E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cl- + 1.000Ho+3 = HoCl+2 -llnl_gamma 5.7 log_k 0.248 delta_h 14.019 #kJ/mol #95haa/sho -analytic 8.309322E+2 1.3592251E-1 -4.7056051E+4 -3.0142496E+2 2.8866799E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000Cl- + 1.000Ho+3 = HoCl2+ -llnl_gamma 4.1 log_k -0.018 delta_h 17.744 #kJ/mol #95haa/sho -analytic 1.6029986E+3 2.6130038E-1 -8.9032768E+4 -5.8291199E+2 5.3400293E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000Cl- + 1.000Ho+3 = HoCl3 -llnl_gamma 3.4 log_k -0.429 delta_h 9.832 #kJ/mol #95haa/sho -analytic 2.3394977E+3 3.8054592E-1 -1.2692221E+5 -8.5313943E+2 7.4092857E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000Cl- + 1.000Ho+3 = HoCl4- -llnl_gamma 3.6 log_k -0.841 delta_h -12.427 #kJ/mol #95haa/sho -analytic 2.2089312E+3 3.5855722E-1 -1.1752417E+5 -8.0770442E+2 6.7659988E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Ho+3 = HoCO3+ + 1.000H+ -llnl_gamma 4.1 log_k -2.243 delta_h -7.432 #kJ/mol #95haa/sho -analytic 7.2948E+2 1.1872233E-1 -3.6463468E+4 -2.6909319E+2 1.8696978E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000F- + 1.000Ho+3 = HoF+2 -llnl_gamma 5.7 log_k 4.775 delta_h 22.390 #kJ/mol #95haa/sho -analytic 9.2355918E+2 1.492425E-1 -5.2178487E+4 -3.3290731E+2 3.1543027E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000F- + 1.000Ho+3 = HoF2+ -llnl_gamma 4.1 log_k 8.377 delta_h 11.307 #kJ/mol #95haa/sho -analytic 1.7668602E+3 2.8395888E-1 -9.756201E+4 -6.393358E+2 5.8735454E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000F- + 1.000Ho+3 = HoF3 -llnl_gamma 3.4 log_k 11.026 delta_h -13.048 #kJ/mol #95haa/sho -analytic 2.5885746E+3 4.1573691E-1 -1.3948256E+5 -9.4019374E+2 8.2470724E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000F- + 1.000Ho+3 = HoF4- -llnl_gamma 3.6 log_k 13.163 delta_h -57.927 #kJ/mol #95haa/sho -analytic 2.595255E+3 4.1115554E-1 -1.3747819E+5 -9.4382429E+2 8.1655191E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ho+3 + 1.000H2PO4- = HoH2PO4+2 -llnl_gamma 5.7 log_k 1.037 delta_h -7.549 #kJ/mol #95haa/sho -analytic 8.6398498E+2 1.3798195E-1 -4.9561363E+4 -3.1290174E+2 3.2354358E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Ho+3 = HoHCO3+2 -llnl_gamma 5.7 log_k 1.716 delta_h 7.399 #kJ/mol #95haa/sho -analytic 8.740355E+2 1.4007946E-1 -5.0409724E+4 -3.1571701E+2 3.2189804E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ho+3 + 1.000NO3- = HoNO3+2 -llnl_gamma 5.7 log_k 0.215 delta_h -29.818 #kJ/mol #95haa/sho -analytic 7.9393439E+2 1.2608575E-1 -4.4812596E+4 -2.8888825E+2 3.0068428E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ho+3 + 1.000H2O = HoO+ + 2.000H+ -llnl_gamma 4.1 log_k -16.038 delta_h 145.778 #kJ/mol #95haa/sho -analytic 2.2407397E+2 3.6160052E-2 -1.5435642E+4 -8.0847231E+1 8.2668698E+4 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ho+3 + 2.000H2O = HoO2- + 4.000H+ -llnl_gamma 3.6 log_k -33.468 delta_h 254.473 #kJ/mol #95haa/sho -analytic -1.5775613E+2 -2.9424924E-2 7.2063971E+2 5.8902822E+1 -1.3428981E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ho+3 + 2.000H2O = HoO2H + 3.000H+ -llnl_gamma 3.4 log_k -24.525 delta_h 216.527 #kJ/mol #95haa/sho -analytic 2.603044E+2 3.8111555E-2 -1.7689378E+4 -9.407076E+1 -3.6358229E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ho+3 + 1.000H2O = HoOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -7.755 delta_h 79.039 #kJ/mol #95haa/sho -analytic 1.7051224E+2 2.6095428E-2 -1.2060168E+4 -6.0480107E+1 3.6062857E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Ho+3 + 1.000SO4-2 = HoSO4+ -llnl_gamma 4.1 log_k 3.649 delta_h 20.183 #kJ/mol #95haa/sho -analytic 1.6455968E+3 2.6077336E-1 -8.9276752E+4 -5.9705121E+2 5.0760809E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000H2PO4- = HP2O7-3 + 1.000H2O + 1.000H+ -llnl_gamma 6.7 log_k -8.409 delta_h 27.426 #kJ/mol #Internal calculation -analytic -5.6732929E+2 -9.3832759E-2 2.7021233E+4 2.0729311E+2 -1.4815617E+6 #References = LogK/DGf: 92gre/fug; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Pb+2 + 2.000H2O = HPbO2- + 3.000H+ -llnl_gamma 3.6 log_k -27.202 delta_h 130.486 #kJ/mol #Internal calculation -analytic -3.6756019E+2 -6.4891308E-2 1.6117043E+4 1.3143972E+2 -1.7414527E+6 #References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000H2PO3- = HPO3-2 + 1.000H+ -llnl_gamma 4.7 log_k -6.144 delta_h 0.516 #kJ/mol #97asho/sas -analytic -7.7016322E+2 -1.2356824E-1 4.2208561E+4 2.7809446E+2 -2.563151E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 97asho/sas; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000F- + 1.000H2PO4- + 1.000H+ = HPO3F- + 1.000H2O -llnl_gamma 3.6 log_k 2.919 #References = LogK/DGf: 82wag/eva; #References = LogK/DGf: 82wag/eva; V°: Default value; 1.000H2PO4- = HPO4-2 + 1.000H+ -llnl_gamma 4.0 log_k -7.212 delta_h 3.600 #kJ/mol #89cox/wag -analytic -7.466061E+2 -1.2024182E-1 4.0983107E+4 2.6925857E+2 -2.5313893E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas; 1.000S2O3-2 + 1.000H+ = HS2O3- -llnl_gamma 3.6 log_k 1.720 delta_h 8.253 #kJ/mol #Internal calculation -analytic 7.6374275E+2 1.2282727E-1 -4.3349734E+4 -2.7623629E+2 2.6917567E+6 #References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000S2O4-2 + 1.000H+ = HS2O4- -llnl_gamma 3.6 log_k 2.500 delta_h 3.818 #kJ/mol #Internal calculation -analytic 7.6785921E+2 1.2335334E-1 -4.3510905E+4 -2.7760746E+2 2.7308809E+6 #References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 4.000HS- + 2.000Sb(OH)3 + 3.000H+ = HSb2S4- + 6.000H2O -llnl_gamma 3.6 log_k 53.028 delta_h -302.105 #kJ/mol #Internal calculation -analytic 2.0735093E+3 3.4443133E-1 -9.5834763E+4 -7.5796985E+2 6.5607411E+6 #References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app; 1.000Sc+3 + 2.000H2O = HScO2 + 3.000H+ -llnl_gamma 3.4 log_k -16.096 delta_h 164.044 #kJ/mol #97asho/sas -analytic 2.8354404E+2 4.2565645E-2 -1.6343969E+4 -1.0286017E+2 -2.659603E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000SeO3-2 + 1.000H+ = HSeO3- -llnl_gamma 3.6 log_k 7.286 delta_h -5.164 #kJ/mol #97asho/sas -analytic 7.9466768E+2 1.2793535E-1 -4.4347573E+4 -2.8632224E+2 2.8181559E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000SeO4-2 + 1.000H+ = HSeO4- -llnl_gamma 3.6 log_k 1.906 delta_h 17.563 #kJ/mol #97asho/sas -analytic 7.9284475E+2 1.2748453E-1 -4.5582806E+4 -2.8605958E+2 2.8243941E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000H4SiO4 = HSiO3- + 1.000H2O + 1.000H+ -llnl_gamma 3.6 log_k -9.819 delta_h 26.884 #kJ/mol #Internal calculation -analytic -1.8375672E+2 -5.0579914E-2 4.6983651E+3 7.0958395E+1 -2.0642699E+5 #References = LogK/DGf: 01fel/cho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Sn+2 + 2.000H2O = HSnO2- + 3.000H+ -llnl_gamma 3.6 log_k -16.587 delta_h 69.671 #kJ/mol #97asho/sas -analytic -3.493042E+2 -6.1507829E-2 1.6925159E+4 1.2555105E+2 -1.4559988E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000SO3-2 + 1.000H+ = HSO3- -llnl_gamma 4.2 log_k 7.170 delta_h 3.667 #kJ/mol #Internal calculation -analytic 8.1037351E+2 1.3067603E-1 -4.535994E+4 -2.9173714E+2 2.8319627E+6 #References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; Cp: 97asho/sas; V°: 97asho/sas; 1.000SO4-2 + 1.000H+ = HSO4- -llnl_gamma 3.6 log_k 1.982 delta_h 22.440 #kJ/mol #04chi -analytic 8.1698008E+2 1.2949832E-1 -4.7437431E+4 -2.9402094E+2 2.9364246E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 04chi; Cp: 97asho/sas; V°: 97asho/sas; 1.000Tl+3 + 2.000H2O = HTlO2 + 3.000H+ -llnl_gamma 3.4 log_k -3.302 delta_h 100.748 #kJ/mol #Internal calculation -analytic 1.4438534E+2 1.8619426E-2 -2.2648729E+3 -5.3249839E+1 -1.2337586E+6 #References = LogK/DGf: 81tur/whi; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000U+4 + 2.000H2O = HUO2+ + 3.000H+ -llnl_gamma 4.1 log_k -4.991 delta_h 96.790 #kJ/mol #97bsho/sas -analytic 4.2213458E+2 6.7242242E-2 -2.4043395E+4 -1.5172768E+2 7.9192177E+5 #References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas; 1.000U+3 + 2.000H2O = HUO2 + 3.000H+ -llnl_gamma 3.4 log_k -21.190 delta_h 202.729 #kJ/mol #97bsho/sas -analytic 2.0720196E+2 2.8823161E-2 -1.2882635E+4 -7.4999805E+1 -7.28472E+5 #References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas; 1.000U+4 + 3.000H2O = HUO3- + 5.000H+ -llnl_gamma 3.6 log_k -16.557 delta_h 104.650 #kJ/mol #97bsho/sas -analytic 1.8339274E+2 2.3291824E-2 -1.678554E+4 -6.4303956E+1 7.5744435E+5 #References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas; 1.000UO2+2 + 2.000H2O = HUO4- + 3.000H+ -llnl_gamma 3.6 log_k -19.233 delta_h 72.175 #kJ/mol #97bsho/sas -analytic -3.1939827E+2 -5.428582E-2 1.3137453E+4 1.146927E+2 -1.0233544E+6 #References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas; 1.000VO2+ + 2.000H2O = HVO4-2 + 3.000H+ -llnl_gamma 4.7 log_k -15.143 delta_h 62.301 #kJ/mol #97asho/sas -analytic -6.2765274E+2 -1.1126012E-1 2.3415516E+4 2.3346197E+2 -9.3695934E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000WO4-2 + 1.000H+ = HWO4- -llnl_gamma 3.6 log_k 3.592 delta_h 6.318 #kJ/mol #97asho/sas -analytic 7.9451317E+2 1.2806542E-1 -4.5447474E+4 -2.8660145E+2 2.8893928E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Y+3 + 2.000H2O = HYO2 + 3.000H+ -llnl_gamma 3.4 log_k -25.991 delta_h 221.152 #kJ/mol #97asho/sas -analytic 2.6793461E+2 3.9922729E-2 -1.8227636E+4 -9.7265274E+1 -3.5702822E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Zn+2 + 2.000H2O = HZnO2- + 3.000H+ -llnl_gamma 3.6 log_k -28.140 delta_h 144.668 #kJ/mol #14aki/tag -analytic -2.8915838E+2 -5.200839E-2 8.6724758E+3 1.0491204E+2 -1.0810376E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 14aki/tag; S°: 14aki/tag; Cp: 14aki/tag; V°: 14aki/tag; 1.000ZrO+2 + 1.000H2O = HZrO2+ + 1.000H+ -llnl_gamma 4.1 log_k -3.357 delta_h 2.913 #kJ/mol #97asho/sas -analytic 3.5560139E+2 5.4759312E-2 -2.3278403E+4 -1.2787202E+2 1.706986E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000ZrO+2 + 2.000H2O = HZrO3- + 3.000H+ -llnl_gamma 3.6 log_k -14.263 delta_h 65.514 #kJ/mol #97asho/sas -analytic -1.218036E+2 -2.6025908E-2 6.8865585E+2 4.5970138E+1 -6.7540487E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cl- + 1.000In+3 = InCl+2 -llnl_gamma 5.7 log_k 3.272 delta_h -5.365 #kJ/mol #97sve/sho -analytic 8.0564469E+2 1.3148007E-1 -4.3715289E+4 -2.9287704E+2 2.6449007E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000F- + 1.000In+3 = InF+2 -llnl_gamma 5.7 log_k 4.640 delta_h 26.865 #kJ/mol #97sve/sho -analytic 8.9887292E+2 1.4513136E-1 -4.9986234E+4 -3.2431973E+2 2.9031673E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000In+3 + 1.000H2O = InO+ + 2.000H+ -llnl_gamma 4.1 log_k -7.828 delta_h 99.167 #kJ/mol #97asho/sas -analytic 2.0224088E+2 3.2825218E-2 -1.137909E+4 -7.3174996E+1 -5.5401319E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000In+3 + 2.000H2O = InO2- + 4.000H+ -llnl_gamma 3.6 log_k -22.033 delta_h 182.466 #kJ/mol #97asho/sas -analytic -1.6540867E+2 -3.0638101E-2 4.1319219E+3 6.1725725E+1 -1.2520057E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000In+3 + 1.000H2O = InOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -4.016 delta_h 24.892 #kJ/mol #97asho/sas -analytic 2.0215457E+2 3.0376701E-2 -1.2788621E+4 -7.2869098E+1 7.0895805E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Al+3 + 1.000K+ + 2.000H2O = KAlO2 + 4.000H+ -llnl_gamma 3.4 log_k -24.224 delta_h 211.675 #kJ/mol #97apok/hel -analytic 6.4898432E+2 9.8197261E-2 -4.4681059E+4 -2.3170404E+2 1.841148E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 97apok/hel; S°: 97apok/hel; Cp: 97apok/hel; V°: 97apok/hel; 1.000H2AsO4- + 1.000K+ = KAsO4-2 + 2.000H+ -llnl_gamma 4.7 log_k -14.003 delta_h 119.613 #kJ/mol #Internal calculation -analytic -2.5155995E+2 -5.1873394E-2 1.0009804E+4 9.4532025E+1 -1.2856822E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Br- + 1.000K+ = KBr -llnl_gamma 3.4 log_k -1.746 delta_h 14.345 #kJ/mol #97sve/sho -analytic 6.5418733E+2 1.0441228E-1 -3.6116244E+4 -2.3806364E+2 2.0573498E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Cl- + 1.000K+ = KCl -llnl_gamma 3.4 log_k -0.500 delta_h 4.180 #kJ/mol #97smi/mar -analytic 7.8954315E+2 1.2046911E-1 -4.4722195E+4 -2.8553339E+2 2.7176259E+6 #References = LogK/DGf: 97smi/mar; DHf/DHr: 97smi/mar; S°: Internal calculation; Cp: 97bpok/hel; V°: 97bpok/hel; 1.000H2AsO4- + 1.000K+ = KH2AsO4 -llnl_gamma 3.4 log_k -1.903 delta_h 13.748 #kJ/mol #Internal calculation -analytic 6.6054606E+2 1.0281261E-1 -3.6976883E+4 -2.3970458E+2 2.1380303E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000K+ + 1.000H2PO4- = KH2PO4 -llnl_gamma 3.4 log_k 0.440 #References = LogK/DGf: 97smi/mar; #References = LogK/DGf: 97smi/mar; V°: Default value; 1.000H2AsO4- + 1.000K+ = KHAsO4- + 1.000H+ -llnl_gamma 3.6 log_k -6.434 delta_h 9.920 #kJ/mol #Internal calculation -analytic 1.4673963E+2 1.732212E-2 -8.6601791E+3 -5.4068442E+1 3.9976775E+5 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000K+ + 1.000H2PO4- = KHPO4- + 1.000H+ -llnl_gamma 3.6 log_k -6.432 delta_h 31.590 #kJ/mol #97smi/mar -analytic 8.4152475E+2 1.2701276E-1 -4.7518124E+4 -3.0549408E+2 2.6202354E+6 #References = LogK/DGf: 89mar/smi; DHf/DHr: 97smi/mar; S°: Internal calculation; V°: Default value; 1.000I- + 1.000K+ = KI -llnl_gamma 3.4 log_k -1.606 delta_h 8.560 #kJ/mol #97sve/sho -analytic 6.1043989E+2 9.8873976E-2 -3.3332222E+4 -2.2276046E+2 1.9092154E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000K+ + 1.000H2O = KOH + 1.000H+ -llnl_gamma 3.4 log_k -14.461 delta_h 66.438 #kJ/mol #Internal calculation -analytic 1.4239065E+2 1.6361293E-2 -1.1313422E+4 -5.1781943E+1 3.8638962E+5 #References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97apok/hel; Cp: 97apok/hel; V°: 97apok/hel; 1.000K+ + 2.000H2PO4- = KP2O7-3 + 1.000H2O + 2.000H+ -llnl_gamma 6.7 log_k -15.709 delta_h 39.592 #kJ/mol #76smi/mar -analytic 1.6687934E+3 2.5762544E-1 -9.3691143E+4 -6.0894907E+2 5.3098665E+6 #References = LogK/DGf: 76smi/mar; DHf/DHr: 76smi/mar; S°: Internal calculation; V°: Default value; 1.000K+ + 1.000H2PO4- = KPO4-2 + 2.000H+ -llnl_gamma 4.7 log_k -18.260 #References = LogK/DGf: 97smi/mar; #References = LogK/DGf: 97smi/mar; V°: Default value; 1.000K+ + 1.000SO4-2 = KSO4- -llnl_gamma 3.6 log_k 0.880 delta_h 2.949 #kJ/mol #Internal calculation -analytic 9.1524972E+2 1.434877E-1 -5.1253575E+4 -3.315177E+2 3.1178195E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Cl- + 1.000La+3 = LaCl+2 -llnl_gamma 5.7 log_k 0.321 delta_h 14.100 #kJ/mol #95haa/sho -analytic 8.1634992E+2 1.3260344E-1 -4.6231329E+4 -2.9593873E+2 2.8247841E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000Cl- + 1.000La+3 = LaCl2+ -llnl_gamma 4.1 log_k -0.018 delta_h 19.241 #kJ/mol #95haa/sho -analytic 1.5772265E+3 2.5601738E-1 -8.725879E+4 -5.7351329E+2 5.1747592E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000Cl- + 1.000La+3 = LaCl3 -llnl_gamma 3.4 log_k -0.356 delta_h 12.158 #kJ/mol #95haa/sho -analytic 2.2943766E+3 3.7167037E-1 -1.2361533E+5 -8.3685398E+2 7.0938925E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000Cl- + 1.000La+3 = LaCl4- -llnl_gamma 3.6 log_k -0.768 delta_h -7.980 #kJ/mol #95haa/sho -analytic 2.1478018E+3 3.4713233E-1 -1.1261389E+5 -7.8597533E+2 6.2657631E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000La+3 = LaCO3+ + 1.000H+ -llnl_gamma 4.1 log_k -3.195 delta_h -1.369 #kJ/mol #95haa/sho -analytic 8.8069985E+2 1.3716892E-1 -4.6016324E+4 -3.2253412E+2 2.4567447E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000F- + 1.000La+3 = LaF+2 -llnl_gamma 5.7 log_k 3.895 delta_h 26.413 #kJ/mol #95haa/sho -analytic 9.0881585E+2 1.4587257E-1 -5.1579298E+4 -3.2743797E+2 3.0943233E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000F- + 1.000La+3 = LaF2+ -llnl_gamma 4.1 log_k 6.765 delta_h 19.514 #kJ/mol #95haa/sho -analytic 1.7394142E+3 2.784031E-1 -9.6089752E+4 -6.2946264E+2 5.7065496E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000F- + 1.000La+3 = LaF3 -llnl_gamma 3.4 log_k 8.827 delta_h -0.995 #kJ/mol #95haa/sho -analytic 2.5428838E+3 4.0686124E-1 -1.3668365E+5 -9.2390776E+2 7.9316731E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000F- + 1.000La+3 = LaF4- -llnl_gamma 3.6 log_k 10.524 delta_h -41.617 #kJ/mol #95haa/sho -analytic 2.5159075E+3 3.969999E-1 -1.3224947E+5 -9.1569334E+2 7.6129444E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000La+3 + 1.000H2PO4- = LaH2PO4+2 -llnl_gamma 5.7 log_k 1.330 delta_h -7.975 #kJ/mol #95haa/sho -analytic 8.4941099E+2 1.3470811E-1 -4.8689854E+4 -3.0739008E+2 3.1716089E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000La+3 = LaHCO3+2 -llnl_gamma 5.7 log_k 2.009 delta_h 6.972 #kJ/mol #95haa/sho -analytic 8.6124314E+2 1.3701914E-1 -4.9646784E+4 -3.1083503E+2 3.1619943E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000La+3 + 1.000NO3- = LaNO3+2 -llnl_gamma 5.7 log_k 0.581 delta_h -29.415 #kJ/mol #95haa/sho -analytic 7.7848056E+2 1.2273421E-1 -4.3906053E+4 -2.8300449E+2 2.9375084E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000La+3 + 1.000H2O = LaO+ + 2.000H+ -llnl_gamma 4.1 log_k -18.163 delta_h 159.159 #kJ/mol #95haa/sho -analytic 2.2239703E+2 3.5067195E-2 -1.6212712E+4 -7.9912578E+1 9.7837946E+4 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000La+3 + 2.000H2O = LaO2- + 4.000H+ -llnl_gamma 3.6 log_k -40.798 delta_h 298.184 #kJ/mol #95haa/sho -analytic -1.7159293E+2 -3.2272206E-2 -7.3662721E+2 6.4124208E+1 -1.4030409E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000La+3 + 2.000H2O = LaO2H + 3.000H+ -llnl_gamma 3.4 log_k -27.897 delta_h 237.270 #kJ/mol #95haa/sho -analytic 2.4275405E+2 3.4272614E-2 -1.7828479E+4 -8.7402792E+1 -4.2667646E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000La+3 + 1.000H2O = LaOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -8.634 delta_h 85.057 #kJ/mol #95haa/sho -analytic 1.6651917E+2 2.4643621E-2 -1.234983E+4 -5.8705719E+1 3.7194078E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000La+3 + 1.000SO4-2 = LaSO4+ -llnl_gamma 4.1 log_k 3.723 delta_h 18.143 #kJ/mol #95haa/sho -analytic 1.6377681E+3 2.572115E-1 -8.8909314E+4 -5.9381884E+2 5.0523657E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Cl- + 1.000Li+ = LiCl -llnl_gamma 3.4 log_k -1.499 delta_h 4.704 #kJ/mol #97sve/sho -analytic 7.6754981E+2 1.2375957E-1 -4.2240117E+4 -2.7980277E+2 2.4961357E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Li+ + 1.000H2O = LiOH + 1.000H+ -llnl_gamma 3.4 log_k -13.643 delta_h 56.014 #kJ/mol #97asho/sas -analytic 1.189022E+2 1.669755E-2 -8.4427854E+3 -4.4932738E+1 1.757402E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cl- + 1.000Lu+3 = LuCl+2 -llnl_gamma 5.7 log_k -0.045 delta_h 13.572 #kJ/mol #95haa/sho -analytic 8.3064858E+2 1.3557662E-1 -4.7247523E+4 -3.0126661E+2 2.9172513E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000Cl- + 1.000Lu+3 = LuCl2+ -llnl_gamma 4.1 log_k -0.604 delta_h 15.727 #kJ/mol #95haa/sho -analytic 1.6101226E+3 2.6205139E-1 -8.9751122E+4 -5.8552003E+2 5.4225656E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000Cl- + 1.000Lu+3 = LuCl3 -llnl_gamma 3.4 log_k -1.162 delta_h 3.412 #kJ/mol #95haa/sho -analytic 2.3529274E+3 3.8350168E-1 -1.2778178E+5 -8.5856737E+2 7.5221913E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000Cl- + 1.000Lu+3 = LuCl4- -llnl_gamma 3.6 log_k -1.721 delta_h -25.993 #kJ/mol #95haa/sho -analytic 2.2401583E+3 3.6276449E-1 -1.1968401E+5 -8.1942912E+2 7.02335E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Lu+3 = LuCO3+ + 1.000H+ -llnl_gamma 4.1 log_k -2.023 delta_h -11.057 #kJ/mol #95haa/sho -analytic 9.2406266E+2 1.4413121E-1 -4.7864568E+4 -3.3852843E+2 2.5909836E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000F- + 1.000Lu+3 = LuF+2 -llnl_gamma 5.7 log_k 4.848 delta_h 25.714 #kJ/mol #95haa/sho -analytic 9.2299835E+2 1.4904399E-1 -5.2422765E+4 -3.3237886E+2 3.1725262E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000F- + 1.000Lu+3 = LuF2+ -llnl_gamma 4.1 log_k 8.524 delta_h 14.338 #kJ/mol #95haa/sho -analytic 1.7748057E+3 2.8514005E-1 -9.8383425E+4 -6.4182001E+2 5.9403007E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000F- + 1.000Lu+3 = LuF3 -llnl_gamma 3.4 log_k 11.219 delta_h -12.652 #kJ/mol #95haa/sho -analytic 2.6041242E+3 4.1869268E-1 -1.4069815E+5 -9.4562169E+2 8.3599781E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000F- + 1.000Lu+3 = LuF4- -llnl_gamma 3.6 log_k 13.456 delta_h -64.092 #kJ/mol #95haa/sho -analytic 2.6641587E+3 4.213141E-1 -1.4179985E+5 -9.6851144E+2 8.5159719E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Lu+3 + 1.000H2PO4- = LuH2PO4+2 -llnl_gamma 5.7 log_k 1.183 delta_h -13.375 #kJ/mol #95haa/sho -analytic 8.6590301E+2 1.3785804E-1 -4.9658355E+4 -3.1366862E+2 3.2788531E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Lu+3 = LuHCO3+2 -llnl_gamma 5.7 log_k 1.936 delta_h 1.528 #kJ/mol #95haa/sho -analytic 8.6599382E+2 1.3847482E-1 -4.9953347E+4 -3.1285684E+2 3.2307152E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Lu+3 + 1.000NO3- = LuNO3+2 -llnl_gamma 5.7 log_k 0.581 delta_h -41.640 #kJ/mol #95haa/sho -analytic 8.019714E+2 1.2673884E-1 -4.5031696E+4 -2.9209462E+2 3.0782758E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Lu+3 + 1.000H2O = LuO+ + 2.000H+ -llnl_gamma 4.1 log_k -15.305 delta_h 136.978 #kJ/mol #95haa/sho -analytic 2.2943238E+2 3.6792722E-2 -1.6134946E+4 -8.2523518E+1 2.3194775E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Lu+3 + 2.000H2O = LuO2- + 4.000H+ -llnl_gamma 3.6 log_k -31.928 delta_h 238.950 #kJ/mol #95haa/sho -analytic -1.6095972E+2 -2.9432083E-2 1.1122665E+2 6.0535033E+1 -1.0984226E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Lu+3 + 2.000H2O = LuO2H + 3.000H+ -llnl_gamma 3.4 log_k -23.865 delta_h 207.023 #kJ/mol #95haa/sho -analytic 3.1921803E+2 4.8163595E-2 -2.189193E+4 -1.1507882E+2 6.5556739E+4 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Lu+3 + 1.000H2O = LuOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -7.608 delta_h 74.709 #kJ/mol #95haa/sho -analytic 1.8512515E+2 2.8070592E-2 -1.3441099E+4 -6.5464972E+1 5.3052023E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Lu+3 + 1.000SO4-2 = LuSO4+ -llnl_gamma 4.1 log_k 3.649 delta_h 19.185 #kJ/mol #95haa/sho -analytic 1.6468397E+3 2.6057133E-1 -8.9434501E+4 -5.974135E+2 5.0976729E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Mg+2 = Mg(HCO3)+ -llnl_gamma 4.1 log_k 1.038 delta_h 1.841 #kJ/mol #Internal calculation -analytic 8.7719152E+2 1.3812485E-1 -5.0324694E+4 -3.1704995E+2 3.1978381E+6 #References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 74rea/lan; Cp: 95sho/kor; V°: 95sho/kor; 4.000Mg+2 + 4.000H2O = Mg4(OH)4+4 + 4.000H+ -llnl_gamma 11.6 log_k -39.754 delta_h 229.187 #kJ/mol #Internal calculation -analytic 1.3448905E+3 2.2219545E-1 -8.4561812E+4 -4.9120416E+2 4.2830869E+6 #References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 99yun/glu; V°: Default value; 1.000H2AsO4- + 1.000Mg+2 = MgAsO4- + 2.000H+ -llnl_gamma 3.6 log_k -12.735 delta_h 99.689 #kJ/mol #Internal calculation -analytic 2.724103E+2 3.5612873E-2 -1.6231704E+4 -9.8493145E+1 2.1275459E+5 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Cl- + 1.000Mg+2 = MgCl+ -llnl_gamma 4.1 log_k 0.350 delta_h -1.729 #kJ/mol #Internal calculation -analytic 8.362486E+2 1.3422557E-1 -4.6833261E+4 -3.0373153E+2 2.9090756E+6 #References = LogK/DGf: 96bou; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000HCO3- + 1.000Mg+2 = MgCO3 + 1.000H+ -llnl_gamma 3.4 log_k -7.347 delta_h 23.505 #kJ/mol #Internal calculation -analytic 7.769792E+2 1.2651382E-1 -4.0717685E+4 -2.8627656E+2 2.0351429E+6 #References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 74rea/lan; Cp: 97sve/sho; V°: 97sve/sho; 1.000F- + 1.000Mg+2 = MgF+ -llnl_gamma 4.1 log_k 1.149 delta_h 3.388 #kJ/mol #97sve/sho -analytic 9.305036E+2 1.4739446E-1 -5.2880884E+4 -3.3670964E+2 3.3093949E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000H2AsO3- + 1.000Mg+2 = MgH2AsO3+ -llnl_gamma 4.1 log_k 1.674 delta_h -21.477 #kJ/mol #Internal calculation -analytic 6.4358587E+2 9.5687384E-2 -3.344971E+4 -2.342365E+2 1.8981183E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000H2AsO4- + 1.000Mg+2 = MgH2AsO4+ -llnl_gamma 4.1 log_k 1.512 delta_h -15.687 #kJ/mol #Internal calculation -analytic 8.3847159E+2 1.2866674E-1 -4.6573309E+4 -3.0382206E+2 2.904498E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Mg+2 + 1.000H2PO4- = MgH2PO4+ -llnl_gamma 4.1 log_k 1.170 delta_h 13.510 #kJ/mol #96bou -analytic 9.8987559E+2 1.525131E-1 -5.3901944E+4 -3.5863715E+2 3.0254769E+6 #References = LogK/DGf: 81tur/whi; DHf/DHr: 96bou; S°: Internal calculation; V°: Default value; 1.000H2AsO4- + 1.000Mg+2 = MgHAsO4 + 1.000H+ -llnl_gamma 3.4 log_k -4.539 delta_h 10.494 #kJ/mol #Internal calculation -analytic 9.2236556E+2 1.4553155E-1 -4.9509414E+4 -3.3734707E+2 2.711604E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Mg+2 + 1.000H2PO4- = MgHPO4 + 1.000H+ -llnl_gamma 3.4 log_k -4.303 delta_h 16.152 #kJ/mol #76smi/mar -analytic 9.8486594E+2 1.525131E-1 -5.4039945E+4 -3.5863715E+2 3.0254769E+6 #References = LogK/DGf: 63tay/fra, 76smi/mar; DHf/DHr: 76smi/mar; S°: Internal calculation; V°: Default value; 1.000Mg+2 + 1.000H2O = MgOH+ + 1.000H+ -llnl_gamma 4.1 log_k -11.681 delta_h 62.834 #kJ/mol #Internal calculation -analytic 2.435508E+2 3.4906997E-2 -1.7787625E+4 -8.7502059E+1 9.3682965E+5 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Mg+2 + 2.000H2PO4- = MgP2O7-2 + 1.000H2O + 2.000H+ -llnl_gamma 4.7 log_k -10.609 delta_h 45.031 #kJ/mol #76smi/mar -analytic 1.8187626E+3 2.8312577E-1 -1.0130344E+5 -6.6209214E+2 5.715108E+6 #References = LogK/DGf: 76smi/mar; DHf/DHr: 76smi/mar; S°: Internal calculation; V°: Default value; 1.000Mg+2 + 1.000H2PO4- = MgPO4- + 2.000H+ -llnl_gamma 3.6 log_k -14.710 delta_h 31.170 #kJ/mol #96bou -analytic 1.0920963E+3 1.6933732E-1 -6.1181105E+4 -4.001966E+2 3.3929399E+6 #References = LogK/DGf: 81tur/whi; DHf/DHr: 96bou; S°: Internal calculation; V°: Default value; 1.000Mg+2 + 1.000SO4-2 = MgSO4 -llnl_gamma 3.4 log_k 2.230 delta_h 5.860 #kJ/mol #76smi/mar -analytic 1.6922933E+3 2.6688291E-1 -9.1845736E+4 -6.1481011E+2 5.3091773E+6 #References = LogK/DGf: 76smi/mar; DHf/DHr: 76smi/mar; S°: Internal calculation; Cp: 97mcc/sho; V°: 97mcc/sho; 1.000H2AsO4- + 1.000Mn+2 = MnAsO4- + 2.000H+ -llnl_gamma 3.6 log_k -12.330 delta_h 78.986 #kJ/mol #Internal calculation -analytic 2.3867904E+2 3.2373438E-2 -1.328689E+4 -8.7779659E+1 9.8538805E+4 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Cl- + 1.000Mn+2 = MnCl+ -llnl_gamma 4.1 log_k -0.126 delta_h 19.022 #kJ/mol #97sve/sho -analytic 8.5360276E+2 1.3944778E-1 -4.8024815E+4 -3.0980373E+2 2.8765919E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000F- + 1.000Mn+2 = MnF+ -llnl_gamma 4.1 log_k 0.920 delta_h 2.479 #kJ/mol #97sve/sho -analytic 8.8233139E+2 1.4187932E-1 -4.9330512E+4 -3.202196E+2 3.0317368E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000H2AsO4- + 1.000Mn+2 = MnH2AsO4+ -llnl_gamma 4.1 log_k 1.006 delta_h -2.373 #kJ/mol #Internal calculation -analytic 8.5232998E+2 1.3468648E-1 -4.7596222E+4 -3.0908643E+2 2.9309634E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Mn+2 + 1.000H2PO4- = MnH2PO4+ -llnl_gamma 4.1 log_k 1.343 #References = LogK/DGf: 79mat/spo; #References = LogK/DGf: 79mat/spo; V°: Default value; 1.000H2AsO4- + 1.000Mn+2 = MnHAsO4 + 1.000H+ -llnl_gamma 3.4 log_k -4.065 delta_h 9.357 #kJ/mol #Internal calculation -analytic 8.9132777E+2 1.4178862E-1 -4.7598059E+4 -3.2624407E+2 2.5998729E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Mn+2 + 1.000H2PO4- = MnHPO4 + 1.000H+ -llnl_gamma 3.4 log_k -3.632 #References = LogK/DGf: 79mat/spo; #References = LogK/DGf: 79mat/spo; V°: Default value; 1.000Mn+2 + 1.000H2O = MnO + 2.000H+ -llnl_gamma 3.4 log_k -22.195 delta_h 122.917 #kJ/mol #97asho/sas -analytic 2.6391741E+2 4.249812E-2 -1.8624121E+4 -9.7751419E+1 4.9443928E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Mn+2 + 2.000H2O = MnO2-2 + 4.000H+ -llnl_gamma 4.7 log_k -48.274 delta_h 235.076 #kJ/mol #97asho/sas -analytic -1.0163249E+3 -1.6829842E-1 4.5018798E+4 3.6720843E+2 -3.680045E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Mn+2 + 1.000H2O = MnOH+ + 1.000H+ -llnl_gamma 4.1 log_k -10.613 delta_h 60.303 #kJ/mol #97asho/sas -analytic 1.9891301E+2 3.0037154E-2 -1.3547092E+4 -7.2431629E+1 5.4959243E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Mn+2 + 1.000H2PO4- = MnPO4- + 2.000H+ -llnl_gamma 3.6 log_k -12.344 #References = LogK/DGf: 79mat/spo; #References = LogK/DGf: 79mat/spo; V°: Default value; 1.000Mn+2 + 1.000SO4-2 = MnSO4 -llnl_gamma 3.4 log_k 1.993 delta_h 9.555 #kJ/mol #97sve/sho -analytic 1.6669915E+3 2.6400874E-1 -9.0477378E+4 -6.0575091E+2 5.2127865E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.33333333333333NH3 + 0.333333333333333N2 + 1.000H+ = N2H5+ -llnl_gamma 4.1 log_k -19.616 delta_h 104.619 #kJ/mol #97asho/sas -analytic 5.8563027E+1 -2.6409537E-3 -9.6379895E+3 -1.9202698E+1 2.1777513E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.33333333333333NH3 + 0.333333333333333N2 + 2.000H+ = N2H6+2 -llnl_gamma 5.7 log_k -20.643 delta_h 95.382 #kJ/mol #97asho/sas -analytic -9.7146654E+1 -2.8900934E-2 -1.478413E+3 3.7243242E+1 -1.8457957E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 0.666666666666667N2 + 0.666666666666667NO2- + 0.666666666666667H+ = N2O + 0.333333333333333H2O -llnl_gamma 3.4 log_k -7.654 delta_h 42.826 #kJ/mol #01sch/sho -analytic 1.7863969E+2 3.8081879E-2 -9.2432665E+3 -6.8377311E+1 2.2661515E+5 #References = LogK/DGf: 01sch/sho; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho; 0.666666666666667N2 + 0.666666666666667NO2- + 0.666666666666667H2O = N2O2-2 + 1.33333333333333H+ -llnl_gamma 4.7 log_k -53.671 delta_h 257.189 #kJ/mol #97asho/sas -analytic -1.0223894E+3 -1.6683336E-1 4.3874461E+4 3.6864883E+2 -3.6351903E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 2.000Na+ + 2.000H2PO4- = Na2P2O7-2 + 1.000H2O + 2.000H+ -llnl_gamma 4.7 log_k -13.620 #References = LogK/DGf: 76smi/mar; #References = LogK/DGf: 76smi/mar; V°: Default value; 1.000Al+3 + 1.000Na+ + 2.000H2O = NaAlO2 + 4.000H+ -llnl_gamma 3.4 log_k -23.631 delta_h 190.348 #kJ/mol #95pok/hel -analytic 7.0419419E+2 1.1134123E-1 -4.7487012E+4 -2.5312881E+2 2.1869214E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95pok/hel; S°: 95pok/hel; Cp: 95pok/hel; V°: 95pok/hel; 1.000H2AsO4- + 1.000Na+ = NaAsO4-2 + 2.000H+ -llnl_gamma 4.7 log_k -13.867 delta_h 87.299 #kJ/mol #Internal calculation -analytic -3.4933341E+2 -7.1708066E-2 1.6125209E+4 1.2933599E+2 -1.535333E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000B(OH)3 + 1.000Na+ + 1.000H2O = NaB(OH)4 + 1.000H+ -llnl_gamma 3.0 log_k -8.977 delta_h 13.466 #kJ/mol #95pok/sch -analytic -2.9853208E+1 3.3203413E-3 2.8438652E+3 5.8780992E+0 -3.7313403E+5 #References = LogK/DGf: 95pok/sch; DHf/DHr: Internal calculation; S°: 95pok/sch; Cp: 95pok/sch; V°: 95pok/sch; 1.000Br- + 1.000Na+ = NaBr -llnl_gamma 3.4 log_k -1.369 delta_h 8.228 #kJ/mol #97sve/sho -analytic 7.7683714E+2 1.2166393E-1 -4.318765E+4 -2.8215325E+2 2.5371295E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000HCO3- + 1.000Na+ = NaCO3- + 1.000H+ -llnl_gamma 3.6 log_k -9.057 delta_h 32.452 #kJ/mol #Internal calculation -analytic 8.7000767E+2 1.1461962E-1 -4.8239216E+4 -3.1451953E+2 2.3836494E+6 #References = LogK/DGf: 90nor/plu; DHf/DHr: Internal calculation; S°: 13ste/ben; V°: Default value; 1.000F- + 1.000Na+ = NaF -llnl_gamma 3.4 log_k -0.970 delta_h 7.196 #kJ/mol #97sve/sho -analytic 8.349296E+2 1.3086137E-1 -4.6137375E+4 -3.0331266E+2 2.6984991E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000H2AsO3- + 1.000Na+ = NaH2AsO3 -llnl_gamma 3.4 log_k 0.273 delta_h -8.134 #kJ/mol #Internal calculation -analytic 5.4981154E+2 8.1312652E-2 -2.8352689E+4 -2.0026573E+2 1.4985828E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000H2AsO4- + 1.000Na+ = NaH2AsO4 -llnl_gamma 3.4 log_k -1.788 delta_h 9.245 #kJ/mol #Internal calculation -analytic 7.4433644E+2 1.1409449E-1 -4.206536E+4 -2.6964583E+2 2.5038843E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Na+ + 1.000H2PO4- = NaH2PO4 -llnl_gamma 3.4 log_k 0.410 #References = LogK/DGf: 97smi/mar; #References = LogK/DGf: 97smi/mar; V°: Default value; 1.000H2AsO4- + 1.000Na+ = NaHAsO4- + 1.000H+ -llnl_gamma 3.6 log_k -6.298 delta_h 7.794 #kJ/mol #Internal calculation -analytic 1.8757937E+2 2.0070146E-2 -1.1257017E+4 -6.8100531E+1 5.6937493E+5 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000HCO3- + 1.000Na+ = NaHCO3 -llnl_gamma 3.4 log_k -0.247 delta_h 11.979 #kJ/mol #Internal calculation -analytic 7.8588594E+2 1.1461962E-1 -4.319257E+4 -2.8380335E+2 2.3836494E+6 #References = LogK/DGf: 90nor/plu; DHf/DHr: Internal calculation; S°: 13ste/ben; V°: Default value; 1.000Na+ + 2.000H2PO4- = NaHP2O7-2 + 1.000H2O + 1.000H+ -llnl_gamma 4.7 log_k -7.010 #References = LogK/DGf: 76smi/mar; #References = LogK/DGf: 76smi/mar; V°: Default value; 1.000Na+ + 1.000H2PO4- = NaHPO4- + 1.000H+ -llnl_gamma 3.6 log_k -6.340 delta_h 34.940 #kJ/mol #97smi/mar -analytic 8.9613811E+2 1.3295816E-1 -5.061644E+4 -3.2469905E+2 2.7641778E+6 #References = LogK/DGf: 97smi/mar; DHf/DHr: 97smi/mar; S°: Internal calculation; V°: Default value; 1.000I- + 1.000Na+ = NaI -llnl_gamma 3.4 log_k -1.553 delta_h 6.654 #kJ/mol #97sve/sho -analytic 6.9652453E+2 1.1039538E-1 -3.8647875E+4 -2.5339072E+2 2.2785916E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Na+ + 1.000H2O = NaOH + 1.000H+ -llnl_gamma 3.4 log_k -14.751 delta_h 53.395 #kJ/mol #Internal calculation -analytic 5.6334876E+2 8.5075501E-2 -3.4107556E+4 -2.0591888E+2 1.8192148E+6 #References = LogK/DGf: 95pok/hel; DHf/DHr: Internal calculation; S°: 95pok/hel; Cp: 95pok/hel; V°: 95pok/hel; 1.000Na+ + 2.000H2PO4- = NaP2O7-3 + 1.000H2O + 2.000H+ -llnl_gamma 6.7 log_k -15.519 delta_h 38.336 #kJ/mol #76smi/mar -analytic 1.722698E+3 2.6357083E-1 -9.6548904E+4 -6.2815404E+2 5.4538089E+6 #References = LogK/DGf: 76smi/mar; DHf/DHr: 76smi/mar; S°: Internal calculation; V°: Default value; 1.000Na+ + 1.000H2PO4- = NaPO4-2 + 2.000H+ -llnl_gamma 4.7 log_k -18.070 #References = LogK/DGf: 97smi/mar; #References = LogK/DGf: 97smi/mar; V°: Default value; 1.000Na+ + 1.000SO4-2 = NaSO4- -llnl_gamma 4.5 log_k 0.936 delta_h -2.788 #kJ/mol #Internal calculation -analytic 9.358708E+2 1.4438495E-1 -5.3022649E+4 -3.3839614E+2 3.3063776E+6 #References = LogK/DGf: 95pok/sch; DHf/DHr: Internal calculation; S°: 95pok/sch; Cp: 95pok/sch; V°: 95pok/sch; 1.000Cl- + 1.000Nd+3 = NdCl+2 -llnl_gamma 4.5 log_k 0.321 delta_h 14.723 #kJ/mol #Internal calculation -analytic 8.1545635E+2 1.3290054E-1 -4.5700896E+4 -2.959651E+2 2.7439937E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000Cl- + 1.000Nd+3 = NdCl2+ -llnl_gamma 4.5 log_k 0.056 delta_h 20.320 #kJ/mol #Internal calculation -analytic 1.5608345E+3 2.5357847E-1 -8.5275485E+4 -5.6818794E+2 4.9403665E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000Cl- + 1.000Nd+3 = NdCl3 -llnl_gamma 3.4 log_k -0.283 delta_h 14.733 #kJ/mol #95haa/sho -analytic 2.2484686E+3 3.6383024E-1 -1.1928654E+5 -8.2107479E+2 6.6276816E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000Cl- + 1.000Nd+3 = NdCl4- -llnl_gamma 3.6 log_k -0.695 delta_h -3.159 #kJ/mol #95haa/sho -analytic 1.6636121E+3 2.8151179E-1 -8.1236994E+4 -6.1456541E+2 3.994219E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Nd+3 = NdCO3+ + 1.000H+ -llnl_gamma 4.1 log_k -2.609 delta_h -4.092 #kJ/mol #95haa/sho -analytic 7.1584766E+2 1.1644076E-1 -3.5928831E+4 -2.6401012E+2 1.8319354E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000F- + 1.000Nd+3 = NdF+2 -llnl_gamma 5.7 log_k 4.408 delta_h 22.486 #kJ/mol #95haa/sho -analytic 9.0700608E+2 1.4596778E-1 -5.0799572E+4 -3.2720315E+2 3.0141621E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000F- + 1.000Nd+3 = NdF2+ -llnl_gamma 4.1 log_k 7.644 delta_h 13.371 #kJ/mol #95haa/sho -analytic 1.7189021E+3 2.7521607E-1 -9.3572231E+4 -6.2275063E+2 5.4656127E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000F- + 1.000Nd+3 = NdF3 -llnl_gamma 3.4 log_k 10.000 delta_h -8.064 #kJ/mol #95haa/sho -analytic 2.4963871E+3 3.9902123E-1 -1.3185121E+5 -9.0812905E+2 7.4654683E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000F- + 1.000Nd+3 = NdF4- -llnl_gamma 3.6 log_k 11.990 delta_h -48.613 #kJ/mol #95haa/sho -analytic 2.0115722E+3 3.2824571E-1 -9.923865E+4 -7.3716381E+2 5.2858774E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Nd+3 + 1.000H2PO4- = NdH2PO4+2 -llnl_gamma 5.7 log_k 1.103 delta_h -5.272 #kJ/mol #95haa/sho -analytic 8.4864766E+2 1.3506583E-1 -4.8254427E+4 -3.0743224E+2 3.0893002E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Nd+3 = NdHCO3+2 -llnl_gamma 5.7 log_k 1.862 delta_h 9.057 #kJ/mol #95haa/sho -analytic 8.6312092E+2 1.3775386E-1 -4.9329531E+4 -3.1183779E+2 3.0885476E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000NO3- + 1.000Nd+3 = NdNO3+2 -llnl_gamma 5.7 log_k 0.790 delta_h -27.851 #kJ/mol #95haa/sho -analytic 7.7708387E+2 1.2304454E-1 -4.3346102E+4 -2.8275638E+2 2.8504883E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Nd+3 + 1.000H2O = NdO+ + 2.000H+ -llnl_gamma 4.1 log_k -17.064 delta_h 154.131 #kJ/mol #95haa/sho -analytic 2.3819228E+2 3.8116357E-2 -1.6751761E+4 -8.570707E+1 1.4594807E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Nd+3 + 2.000H2O = NdO2- + 4.000H+ -llnl_gamma 3.6 log_k -37.059 delta_h 278.717 #kJ/mol #95haa/sho -analytic -1.6311882E+2 -3.0299566E-2 1.3119783E+2 6.0862948E+1 -1.417697E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Nd+3 + 2.000H2O = NdO2H + 3.000H+ -llnl_gamma 3.4 log_k -26.358 delta_h 230.105 #kJ/mol #95haa/sho -analytic 2.4107809E+2 3.4321221E-2 -1.7125691E+4 -8.6887028E+1 -4.6513406E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Nd+3 + 1.000H2O = NdOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -8.121 delta_h 83.126 #kJ/mol #95haa/sho -analytic 1.7993266E+2 2.7345024E-2 -1.2939793E+4 -6.3642966E+1 4.1548299E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Nd+3 + 1.000SO4-2 = NdSO4+ -llnl_gamma 4.1 log_k 3.723 delta_h 19.640 #kJ/mol #95haa/sho -analytic 1.6353073E+3 2.5876186E-1 -8.8784189E+4 -5.9319153E+2 5.0547369E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000F- + 1.000NO2- + 4.000H+ = NF3 + 2.000H2O -llnl_gamma 3.4 log_k -59.035 delta_h 398.898 #kJ/mol #01sch/sho -analytic 2.9348049E+3 4.6865606E-1 -1.8594797E+5 -1.0613021E+3 1.033171E+7 #References = LogK/DGf: 01sch/sho; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho; 1.000NH3 + 1.000H+ = NH4+ -llnl_gamma 2.5 log_k 9.241 delta_h -51.750 #kJ/mol #97asho/sas -analytic 3.7494408E+1 -1.5452368E-3 -6.9560062E+2 -1.1496355E+1 2.655499E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Ni+2 + 4.000CN- = Ni(CN)4-2 -llnl_gamma 4.7 log_k 34.083 delta_h -189.579 #kJ/mol #05gam/bug -analytic 3.1157118E+3 4.8046739E-1 -1.6103564E+5 -1.1305335E+3 1.0015423E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; V°: Default value; 1.000Ni+2 + 5.000CN- = Ni(CN)5-3 -llnl_gamma 6.7 log_k 33.337 delta_h -203.321 #kJ/mol #05gam/bug -analytic 3.8659541E+3 5.956038E-1 -2.0178816E+5 -1.4037206E+3 1.2446798E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; V°: Default value; 1.000H2AsO4- + 1.000Ni+2 = NiAsO4- + 2.000H+ -llnl_gamma 3.6 log_k -10.665 delta_h 84.853 #kJ/mol #Internal calculation -analytic 2.2480603E+2 2.9293092E-2 -1.2692869E+4 -8.1674589E+1 4.1399361E+4 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Cl- + 1.000Ni+2 = NiCl+ -llnl_gamma 4.1 log_k 0.151 delta_h 5.242 #kJ/mol #Internal calculation -analytic 7.9675849E+2 1.2938975E-1 -4.4201147E+4 -2.8974022E+2 2.6676433E+6 #References = LogK/DGf: 05gam/bug; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000HCO3- + 1.000Ni+2 = NiCO3 + 1.000H+ -llnl_gamma 3.4 log_k -6.056 #References = LogK/DGf: 05gam/bug; #References = LogK/DGf: 05gam/bug; V°: Default value; 1.000F- + 1.000Ni+2 = NiF+ -llnl_gamma 4.1 log_k 1.501 delta_h 13.990 #kJ/mol #05gam/bug -analytic 8.7794739E+2 1.3998113E-1 -4.9222365E+4 -3.1775043E+2 2.9480287E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 97sve/sho; V°: 97sve/sho; 1.000H2AsO4- + 1.000Ni+2 = NiH2AsO4+ -llnl_gamma 4.1 log_k 1.680 delta_h -9.191 #kJ/mol #Internal calculation -analytic 8.0557284E+2 1.2506729E-1 -4.4376502E+4 -2.9209319E+2 2.704456E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000H2AsO4- + 1.000Ni+2 = NiHAsO4 + 1.000H+ -llnl_gamma 3.4 log_k -3.786 delta_h 12.531 #kJ/mol #Internal calculation -analytic 8.9542941E+2 1.4271702E-1 -4.783787E+4 -3.2756597E+2 2.5977159E+6 #References = LogK/DGf: 05gam/bug; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Ni+2 + 2.000H2PO4- = NiHP2O7- + 1.000H2O + 1.000H+ -llnl_gamma 3.6 log_k -3.200 #References = LogK/DGf: 05gam/bug; #References = LogK/DGf: 05gam/bug; V°: Default value; 1.000Ni+2 + 1.000H2PO4- = NiHPO4 + 1.000H+ -llnl_gamma 3.4 log_k -4.091 #References = LogK/DGf: 05gam/bug; #References = LogK/DGf: 05gam/bug; V°: Default value; 1.000Ni+2 + 1.000HS- = NiHS+ -llnl_gamma 4.1 log_k 5.251 #References = LogK/DGf: 05gam/bug; #References = LogK/DGf: 05gam/bug; V°: Default value; 1.000NO3- + 1.000Ni+2 = NiNO3+ -llnl_gamma 4.1 log_k 0.551 #References = LogK/DGf: 05gam/bug; #References = LogK/DGf: 05gam/bug; V°: Default value; 1.000Ni+2 + 1.000H2O = NiO + 2.000H+ -llnl_gamma 3.4 log_k -19.501 delta_h 98.873 #kJ/mol #Internal calculation -analytic 3.6026241E+2 5.7732513E-2 -2.4281238E+4 -1.3233624E+2 1.059672E+6 #References = LogK/DGf: 12bla; DHf/DHr: Internal calculation; S°: 12coo/oli; Cp: 97asho/sas; V°: 97asho/sas; 1.000Ni+2 + 1.000H2O = NiOH+ + 1.000H+ -llnl_gamma 4.1 log_k -9.501 delta_h 35.577 #kJ/mol #Internal calculation -analytic 2.3696944E+2 3.6212326E-2 -1.6157506E+4 -8.636598E+1 9.4514802E+5 #References = LogK/DGf: 98ply/zha; DHf/DHr: Internal calculation; S°: 12coo/oli; Cp: 97asho/sas; V°: 97asho/sas; 1.000Ni+2 + 2.000H2PO4- = NiP2O7-2 + 1.000H2O + 2.000H+ -llnl_gamma 4.7 log_k -9.008 delta_h 8.643 #kJ/mol #Internal calculation -analytic 1.7906449E+3 2.8122558E-1 -9.819552E+4 -6.5385543E+2 5.6688658E+6 #References = LogK/DGf: 05gam/bug; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value; 1.000Ni+2 + 1.000SO4-2 = NiSO4 -llnl_gamma 3.4 log_k 2.420 delta_h 10.150 #kJ/mol #05gam/bug -analytic 1.7287472E+3 2.7178368E-1 -9.5601893E+4 -6.2662385E+2 5.6741115E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; V°: Default value; 0.166666666666667N2 + 0.666666666666667NO2- + 0.666666666666667H+ = NO + 0.333333333333333H2O -llnl_gamma 3.4 log_k -7.261 delta_h 54.740 #kJ/mol #01sch/sho -analytic 5.4270966E+2 8.8266951E-2 -3.4476911E+4 -1.957306E+2 2.1042284E+6 #References = LogK/DGf: 01sch/sho; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho; 1.000CN- + 0.500O2 = OCN- -llnl_gamma 3.5 log_k 48.713 delta_h -290.559 #kJ/mol #97asho/sas -analytic -7.470346E+1 -1.2812853E-2 2.0195896E+4 2.5943932E+1 -4.175178E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000H2O = OH- + 1.000H+ -llnl_gamma 3.5 log_k -14.002 delta_h 55.815 #kJ/mol #89cox/wag -analytic -7.0195411E+2 -1.1273948E-1 3.6168089E+4 2.5360011E+2 -2.423262E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas; 2.000H2PO4- = P2O7-4 + 1.000H2O + 2.000H+ -llnl_gamma 9.6 log_k -17.810 delta_h 32.478 #kJ/mol #Internal calculation -analytic -1.5373765E+3 -2.4808173E-1 8.3161679E+4 5.5500874E+2 -5.2203742E+6 #References = LogK/DGf: 92gre/fug; DHf/DHr: Internal calculation; S°: 82wag/eva; Cp: 97asho/sas; V°: 97asho/sas; 1.000HCO3- + 1.000Pb+2 = Pb(CO3) + 1.000H+ -llnl_gamma 3.4 log_k -3.327 delta_h 11.685 #kJ/mol #06bla/pia -analytic 9.2698891E+2 1.4344226E-1 -5.1261042E+4 -3.371417E+2 2.9408009E+6 #References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 06bla/pia; V°: Default value; 2.000HCO3- + 1.000Pb+2 = Pb(CO3)2-2 + 2.000H+ -llnl_gamma 4.7 log_k -10.524 #References = LogK/DGf: 06bla/pia; #References = LogK/DGf: 06bla/pia; V°: Default value; 1.000H2PO4- + 1.000Pb+2 = Pb(H2PO4)+ -llnl_gamma 4.1 log_k 1.500 #References = LogK/DGf: 72anri; #References = LogK/DGf: 72anri; V°: Default value; 1.000Pb+2 + 2.000HS- = Pb(HS)2 -llnl_gamma 3.4 log_k 15.010 delta_h -65.580 #kJ/mol #Internal calculation -analytic 1.6254117E+3 2.5826405E-1 -8.6954283E+4 -5.8916053E+2 5.5187048E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Pb+2 + 3.000HS- = Pb(HS)3- -llnl_gamma 3.6 log_k 16.260 delta_h -73.330 #kJ/mol #Internal calculation -analytic 1.9733404E+3 3.1294593E-1 -1.0667492E+5 -7.1501176E+2 6.8140498E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Pb+2 + 4.000H2O = Pb(OH)4-2 + 4.000H+ -llnl_gamma 4.7 log_k -38.904 delta_h 197.475 #kJ/mol #Internal calculation -analytic 5.0743539E+2 4.8227827E-2 -3.6287128E+4 -1.8195677E+2 9.9820342E+5 #References = LogK/DGf: 01per/hef; DHf/DHr: Internal calculation; S°: 97cro; V°: Default value; 1.000Pb+2 + 2.000SO4-2 = Pb(SO4)2-2 -llnl_gamma 4.7 log_k 3.470 #References = LogK/DGf: 06bla/pia; #References = LogK/DGf: 06bla/pia; V°: Default value; 2.000Pb+2 + 1.000H2O = Pb2(OH)+3 + 1.000H+ -llnl_gamma 8.2 log_k -7.180 #References = LogK/DGf: 99lot/och; #References = LogK/DGf: 99lot/och; V°: Default value; 4.000Pb+2 + 4.000H2O = Pb4(OH)4+4 + 4.000H+ -llnl_gamma 11.6 log_k -20.634 delta_h 82.038 #kJ/mol #Internal calculation -analytic 1.3235532E+3 1.9196939E-1 -7.6329308E+4 -4.8106871E+2 3.9966443E+6 #References = LogK/DGf: 99lot/och; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value; 6.000Pb+2 + 8.000H2O = Pb6(OH)8+4 + 8.000H+ -llnl_gamma 11.6 log_k -42.688 delta_h 192.158 #kJ/mol #Internal calculation -analytic 2.0388889E+3 2.8811107E-1 -1.2045783E+5 -7.3992355E+2 5.994328E+6 #References = LogK/DGf: 99lot/och; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value; 1.000H2AsO4- + 1.000Pb+2 = PbAsO4- + 2.000H+ -llnl_gamma 3.6 log_k -11.735 delta_h 95.026 #kJ/mol #Internal calculation -analytic 3.5533311E+2 5.2767108E-2 -2.0155818E+4 -1.2948352E+2 4.6229891E+5 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Cl- + 1.000Pb+2 = PbCl+ -llnl_gamma 4.1 log_k 1.440 delta_h 4.318 #kJ/mol #Internal calculation -analytic 8.6381866E+2 1.4020171E-1 -4.7427207E+4 -3.1399054E+2 2.8304505E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 2.000Cl- + 1.000Pb+2 = PbCl2 -llnl_gamma 3.4 log_k 2.000 delta_h 7.948 #kJ/mol #Internal calculation -analytic 1.5426169E+3 2.4867155E-1 -8.4545453E+4 -5.6074042E+2 5.0068443E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 3.000Cl- + 1.000Pb+2 = PbCl3- -llnl_gamma 3.6 log_k 1.690 delta_h 7.811 #kJ/mol #Internal calculation -analytic 1.7729993E+3 2.865683E-1 -9.7270049E+4 -6.448192E+2 5.7832948E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 4.000Cl- + 1.000Pb+2 = PbCl4-2 -llnl_gamma 4.7 log_k 1.400 delta_h 1.324 #kJ/mol #Internal calculation -analytic 1.7059874E+3 2.7716686E-1 -9.3612476E+4 -6.2096082E+2 5.6251873E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000F- + 1.000Pb+2 = PbF+ -llnl_gamma 4.1 log_k 2.270 delta_h -4.055 #kJ/mol #Internal calculation -analytic 8.7137062E+2 1.3980107E-1 -4.7875203E+4 -3.1641801E+2 2.9110495E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 2.000F- + 1.000Pb+2 = PbF2 -llnl_gamma 3.4 log_k 3.010 delta_h -8.880 #kJ/mol #Internal calculation -analytic 1.7070306E+3 2.7307779E-1 -9.3362198E+4 -6.2056351E+2 5.6219366E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000H2AsO3- + 1.000Pb+2 = PbH2AsO3+ -llnl_gamma 4.1 log_k 5.172 delta_h -20.319 #kJ/mol #Internal calculation -analytic 7.3145269E+2 1.1407821E-1 -3.7319588E+4 -2.6618197E+2 2.0914377E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000H2AsO4- + 1.000Pb+2 = PbH2AsO4+ -llnl_gamma 4.1 log_k 1.534 delta_h 6.559 #kJ/mol #Internal calculation -analytic 9.3632249E+2 1.4861231E-1 -5.2073502E+4 -3.3932426E+2 3.1285274E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000H2PO4- + 1.000Pb+2 = PbH2PO4+ -llnl_gamma 4.1 log_k -1.500 #References = LogK/DGf: 74nri; #References = LogK/DGf: 74nri; V°: Default value; 1.000H2AsO4- + 1.000Pb+2 = PbHAsO4 + 1.000H+ -llnl_gamma 3.4 log_k -4.166 delta_h 11.030 #kJ/mol #Internal calculation -analytic 8.6079462E+2 1.356431E-1 -4.6327365E+4 -3.1465411E+2 2.5397679E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000HCO3- + 1.000Pb+2 = PbHCO3+ -llnl_gamma 4.1 log_k 3.443 #References = LogK/DGf: 89mar/smi; #References = LogK/DGf: 89mar/smi; V°: Default value; 1.000H2PO4- + 1.000Pb+2 = PbHPO4 + 1.000H+ -llnl_gamma 3.4 log_k -4.105 #References = LogK/DGf: 72anri, 76smi/mar; #References = LogK/DGf: 72anri, 76smi/mar; V°: Default value; 1.000Pb+2 + 1.000H2O = PbO + 2.000H+ -llnl_gamma 3.4 log_k -16.951 delta_h 97.824 #kJ/mol #Internal calculation -analytic 1.8259665E+2 2.7874046E-2 -1.2184514E+4 -6.7986728E+1 1.1000287E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Pb+2 + 1.000H2O = PbOH+ + 1.000H+ -llnl_gamma 4.1 log_k -7.511 delta_h 4.021 #kJ/mol #Internal calculation -analytic 8.5257852E+1 1.1377634E-2 -4.2238231E+3 -3.3591773E+1 1.0012203E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 2.000H2PO4- + 1.000Pb+2 = PbP2O7-2 + 1.000H2O + 2.000H+ -llnl_gamma 4.7 log_k -9.478 #References = LogK/DGf: 82wag/eva; #References = LogK/DGf: 82wag/eva; V°: Default value; 1.000Pb+2 + 1.000SO4-2 = PbSO4 -llnl_gamma 3.4 log_k 2.820 delta_h 6.860 #kJ/mol #Internal calculation -analytic 1.70316E+3 2.6612736E-1 -9.449375E+4 -6.1682668E+2 5.6487431E+6 #References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 06bla/pia; V°: Default value; 1.000Pd+2 + 2.000SO4-2 = Pd(SO4)2-2 -llnl_gamma 4.7 log_k 4.543 delta_h 13.311 #kJ/mol #98sas/sho -analytic 1.832795E+3 2.8730487E-1 -1.0245499E+5 -6.6270289E+2 6.1815203E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Pd+2 + 3.000SO4-2 = Pd(SO4)3-4 -llnl_gamma 9.6 log_k 6.330 delta_h 22.791 #kJ/mol #98sas/sho -analytic 2.0039129E+3 3.1048858E-1 -1.1510724E+5 -7.2128643E+2 7.1730748E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Cl- + 1.000Pd+2 = PdCl+ -llnl_gamma 4.1 log_k 6.112 delta_h -30.306 #kJ/mol #98sas/sho -analytic 8.1838728E+2 1.3409366E-1 -4.3614989E+4 -2.9786625E+2 2.7628525E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 2.000Cl- + 1.000Pd+2 = PdCl2 -llnl_gamma 3.4 log_k 10.728 delta_h -63.428 #kJ/mol #98sas/sho -analytic 1.6134783E+3 2.6312616E-1 -8.5772393E+4 -5.8778955E+2 5.4160873E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 3.000Cl- + 1.000Pd+2 = PdCl3- -llnl_gamma 3.6 log_k 13.138 delta_h -96.181 #kJ/mol #98sas/sho -analytic 1.6089528E+3 2.6370202E-1 -8.5837979E+4 -5.8634035E+2 5.7181439E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 4.000Cl- + 1.000Pd+2 = PdCl4-2 -llnl_gamma 4.7 log_k 15.138 delta_h -142.184 #kJ/mol #98sas/sho -analytic 1.5764809E+3 2.5922264E-1 -8.3560665E+4 -5.7571001E+2 5.8839186E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Pd+2 + 1.000H2O = PdO + 2.000H+ -llnl_gamma 3.4 log_k -2.184 delta_h 6.074 #kJ/mol #98sas/sho -analytic 2.9119088E+2 4.7651938E-2 -1.4350767E+4 -1.0777241E+2 6.4237875E+5 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Pd+2 + 1.000H2O = PdOH+ + 1.000H+ -llnl_gamma 4.1 log_k -0.989 delta_h 6.864 #kJ/mol #98sas/sho -analytic 1.9846565E+2 3.0793354E-2 -1.0840088E+4 -7.2242887E+1 5.7624594E+5 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Pd+2 + 1.000SO4-2 = PdSO4 -llnl_gamma 3.4 log_k 2.477 delta_h 5.546 #kJ/mol #98sas/sho -analytic 1.6703449E+3 2.6532341E-1 -9.0413222E+4 -6.0720656E+2 5.2239121E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000F- + 1.000H2PO4- = PO3F-2 + 1.000H2O -llnl_gamma 4.7 log_k -1.180 #References = LogK/DGf: 82wag/eva; #References = LogK/DGf: 82wag/eva; V°: Default value; 1.000H2PO4- = PO4-3 + 2.000H+ -llnl_gamma 4.0 log_k -19.560 delta_h 18.200 #kJ/mol #89cox/wag -analytic -1.4841595E+3 -2.40379E-1 8.1179531E+4 5.3408042E+2 -5.1163686E+6 #References = LogK/DGf: 89cox/wag; DHf/DHr: 89cox/wag; S°: Internal calculation; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cl- + 1.000Pr+3 = PrCl+2 -llnl_gamma 5.7 log_k 0.321 delta_h 14.599 #kJ/mol #95haa/sho -analytic 8.2254301E+2 1.3443941E-1 -4.6166589E+4 -2.9856825E+2 2.7846877E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000Cl- + 1.000Pr+3 = PrCl2+ -llnl_gamma 4.1 log_k 0.056 delta_h 20.070 #kJ/mol #95haa/sho -analytic 1.5750449E+3 2.563597E-1 -8.6405665E+4 -5.7323523E+2 5.050608E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000Cl- + 1.000Pr+3 = PrCl3 -llnl_gamma 3.4 log_k -0.283 delta_h 14.109 #kJ/mol #95haa/sho -analytic 2.275443E+3 3.6890619E-1 -1.2146741E+5 -8.306044E+2 6.8416809E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000Cl- + 1.000Pr+3 = PrCl4- -llnl_gamma 3.6 log_k -0.695 delta_h -4.157 #kJ/mol #95haa/sho -analytic 1.7182082E+3 2.9070183E-1 -8.5507347E+4 -6.3375192E+2 4.3909077E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Pr+3 = PrCO3+ + 1.000H+ -llnl_gamma 4.1 log_k -2.756 delta_h -3.380 #kJ/mol #95haa/sho -analytic 7.2138296E+2 1.1758338E-1 -3.6202729E+4 -2.6611711E+2 1.8416874E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000F- + 1.000Pr+3 = PrF+2 -llnl_gamma 5.7 log_k 4.262 delta_h 23.448 #kJ/mol #95haa/sho -analytic 9.1398371E+2 1.4748891E-1 -5.131259E+4 -3.2975248E+2 3.0542579E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000F- + 1.000Pr+3 = PrF2+ -llnl_gamma 4.1 log_k 7.424 delta_h 14.875 #kJ/mol #95haa/sho -analytic 1.7346569E+3 2.7829505E-1 -9.4856483E+4 -6.2834975E+2 5.5784545E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000F- + 1.000Pr+3 = PrF3 -llnl_gamma 3.4 log_k 9.780 delta_h -6.684 #kJ/mol #95haa/sho -analytic 2.5234912E+3 4.0409706E-1 -1.3413665E+5 -9.1765819E+2 7.6794616E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000F- + 1.000Pr+3 = PrF4- -llnl_gamma 3.6 log_k 11.697 delta_h -47.314 #kJ/mol #95haa/sho -analytic 2.4721985E+3 3.9032509E-1 -1.2770247E+5 -9.0092257E+2 7.174863E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000H2PO4- + 1.000Pr+3 = PrH2PO4+2 -llnl_gamma 5.7 log_k 1.183 delta_h -6.015 #kJ/mol #95haa/sho -analytic 8.5579111E+2 1.3661523E-1 -4.8692969E+4 -3.1006558E+2 3.1303163E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Pr+3 = PrHCO3+2 -llnl_gamma 5.7 log_k 1.936 delta_h -13.317 #kJ/mol #95haa/sho -analytic 8.4631902E+2 1.350292E-1 -4.7807504E+4 -3.0679259E+2 3.0973152E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000NO3- + 1.000Pr+3 = PrNO3+2 -llnl_gamma 5.7 log_k 0.655 delta_h -27.588 #kJ/mol #95haa/sho -analytic 7.8435293E+2 1.2461399E-1 -4.3847158E+4 -2.8544811E+2 2.8921306E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Pr+3 + 1.000H2O = PrO+ + 2.000H+ -llnl_gamma 4.1 log_k -17.284 delta_h 155.136 #kJ/mol #95haa/sho -analytic 2.3729949E+2 3.8289818E-2 -1.6589158E+4 -8.5554282E+1 1.1907844E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Pr+3 + 2.000H2O = PrO2- + 4.000H+ -llnl_gamma 3.6 log_k -37.573 delta_h 281.272 #kJ/mol #95haa/sho -analytic -1.6354321E+2 -3.00551E-2 1.3562404E+2 6.0869811E+1 -1.4348912E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Pr+3 + 2.000H2O = PrO2H + 3.000H+ -llnl_gamma 3.4 log_k -26.578 delta_h 230.986 #kJ/mol #95haa/sho -analytic 2.4796025E+2 3.5075905E-2 -1.7372222E+4 -8.9468671E+1 -4.7509796E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Pr+3 + 1.000H2O = PrOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -8.268 delta_h 83.714 #kJ/mol #95haa/sho -analytic 1.7910838E+2 2.7507621E-2 -1.2763523E+4 -6.3508715E+1 3.8933027E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Pr+3 + 1.000SO4-2 = PrSO4+ -llnl_gamma 4.1 log_k -3.607 delta_h 61.106 #kJ/mol #95haa/sho -analytic 1.6468274E+3 2.6102526E-1 -9.1474449E+4 -5.9754525E+2 5.0788508E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Pt+2 + 2.000SO4-2 = Pt(SO4)2-2 -llnl_gamma 4.7 log_k 4.858 delta_h 11.138 #kJ/mol #98sas/sho -analytic 1.8256106E+3 2.8625795E-1 -1.0194701E+5 -6.6013009E+2 6.1585564E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Pt+2 + 3.000SO4-2 = Pt(SO4)3-4 -llnl_gamma 9.6 log_k 6.242 delta_h 22.544 #kJ/mol #98sas/sho -analytic 1.9956555E+3 3.0926494E-1 -1.1461862E+5 -7.1836054E+2 7.1424438E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Cl- + 1.000Pt+2 = PtCl+ -llnl_gamma 4.1 log_k 8.692 delta_h -45.782 #kJ/mol #98sas/sho -analytic 8.1368089E+2 1.3336855E-1 -4.2477924E+4 -2.9625054E+2 2.7353877E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 2.000Cl- + 1.000Pt+2 = PtCl2 -llnl_gamma 3.4 log_k 15.515 delta_h -92.745 #kJ/mol #98sas/sho -analytic 1.6086577E+3 2.6251361E-1 -8.3744187E+4 -5.863356E+2 5.3618039E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 3.000Cl- + 1.000Pt+2 = PtCl3- -llnl_gamma 3.6 log_k 18.526 delta_h -130.801 #kJ/mol #98sas/sho -analytic 1.5878896E+3 2.6017069E-1 -8.2562327E+4 -5.7909277E+2 5.5922158E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 4.000Cl- + 1.000Pt+2 = PtCl4-2 -llnl_gamma 4.7 log_k 20.057 delta_h -177.245 #kJ/mol #98sas/sho -analytic 1.5484256E+3 2.5438282E-1 -7.970325E+4 -5.6619741E+2 5.7008538E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Pt+2 + 1.000H2O = PtO + 2.000H+ -llnl_gamma 3.4 log_k 4.435 delta_h -32.955 #kJ/mol #98sas/sho -analytic 3.0248248E+2 4.970448E-2 -1.3165226E+4 -1.1185901E+2 7.1803995E+5 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Pt+2 + 1.000H2O = PtOH+ + 1.000H+ -llnl_gamma 4.1 log_k 2.463 delta_h -13.841 #kJ/mol #98sas/sho -analytic 2.0903797E+2 3.2408781E-2 -1.0630587E+4 -7.5961331E+1 6.5597033E+5 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Pt+2 + 1.000SO4-2 = PtSO4 -llnl_gamma 3.4 log_k 2.990 delta_h 2.368 #kJ/mol #98sas/sho -analytic 1.671333E+3 2.6568475E-1 -9.0259416E+4 -6.076424E+2 5.2221217E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Br- + 1.000Rb+ = RbBr -llnl_gamma 3.4 log_k -1.217 delta_h 13.931 #kJ/mol #97sve/sho -analytic 6.493888E+2 1.0249979E-1 -3.5678675E+4 -2.3605258E+2 2.008785E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Cl- + 1.000Rb+ = RbCl -llnl_gamma 3.4 log_k -0.947 delta_h 13.180 #kJ/mol #97sve/sho -analytic 6.4893355E+2 1.0345472E-1 -3.5313843E+4 -2.3619228E+2 1.9698829E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000F- + 1.000Rb+ = RbF -llnl_gamma 3.4 log_k 1.000 delta_h 1.899 #kJ/mol #97sve/sho -analytic 7.2298773E+2 1.1414094E-1 -3.888063E+4 -2.6290417E+2 2.2158183E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000I- + 1.000Rb+ = RbI -llnl_gamma 3.4 log_k -0.960 delta_h 7.975 #kJ/mol #97sve/sho -analytic 5.9916358E+2 9.5931008E-2 -3.2537894E+4 -2.1835591E+2 1.8413791E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Rb+ + 1.000H2O = RbOH + 1.000H+ -llnl_gamma 3.4 log_k -14.205 delta_h 64.213 #kJ/mol #97asho/sas -analytic 2.2766071E+1 1.618384E-4 -3.0743368E+3 -9.7533177E+0 -2.2881424E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Rh+3 + 2.000SO4-2 = Rh(SO4)2- -llnl_gamma 3.6 log_k 2.131 delta_h 67.868 #kJ/mol #98sas/sho -analytic 2.5513074E+3 4.0341082E-1 -1.4205323E+5 -9.2337344E+2 8.1624604E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Rh+2 + 2.000SO4-2 = Rh(SO4)2-2 -llnl_gamma 4.7 log_k 4.513 delta_h 12.231 #kJ/mol #98sas/sho -analytic 1.8024932E+3 2.8181216E-1 -1.009668E+5 -6.5150595E+2 6.1115247E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Rh+3 + 3.000SO4-2 = Rh(SO4)3-3 -llnl_gamma 6.7 log_k 1.969 delta_h 108.811 #kJ/mol #98sas/sho -analytic 2.7847149E+3 4.3682783E-1 -1.5921278E+5 -1.0036905E+3 9.296724E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Rh+2 + 3.000SO4-2 = Rh(SO4)3-4 -llnl_gamma 9.6 log_k 6.110 delta_h 22.050 #kJ/mol #98sas/sho -analytic 1.973939E+3 3.0503986E-1 -1.1363504E+5 -7.1026833E+2 7.0999265E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Cl- + 1.000Rh+2 = RhCl+ -llnl_gamma 4.1 log_k -0.207 delta_h 3.515 #kJ/mol #98sas/sho -analytic 7.9942098E+2 1.3016799E-1 -4.4358864E+4 -2.9094996E+2 2.6916782E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Cl- + 1.000Rh+3 = RhCl+2 -llnl_gamma 5.7 log_k 2.022 delta_h -0.348 #kJ/mol #98sas/sho -analytic 8.3282981E+2 1.3629335E-1 -4.6668187E+4 -3.0224243E+2 2.93002E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 2.000Cl- + 1.000Rh+3 = RhCl2+ -llnl_gamma 4.1 log_k 3.303 delta_h -11.813 #kJ/mol #98sas/sho -analytic 1.6310643E+3 2.6553912E-1 -8.9750896E+4 -5.933253E+2 5.5326373E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 2.000Cl- + 1.000Rh+2 = RhCl2 -llnl_gamma 3.4 log_k -0.772 delta_h -3.394 #kJ/mol #98sas/sho -analytic 1.592734E+3 2.5933545E-1 -8.7318037E+4 -5.8080651E+2 5.2630806E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 3.000Cl- + 1.000Rh+3 = RhCl3 -llnl_gamma 3.4 log_k 3.338 delta_h -32.382 #kJ/mol #98sas/sho -analytic 2.3666082E+3 3.8724948E-1 -1.2704087E+5 -8.6422958E+2 7.6313648E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 3.000Cl- + 1.000Rh+2 = RhCl3- -llnl_gamma 3.6 log_k -2.093 delta_h -20.215 #kJ/mol #98sas/sho -analytic 1.5502361E+3 2.5286135E-1 -8.5900102E+4 -5.6586836E+2 5.3864651E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 4.000Cl- + 1.000Rh+3 = RhCl4- -llnl_gamma 3.6 log_k 3.300 delta_h -72.492 #kJ/mol #98sas/sho -analytic 2.3207293E+3 3.7507356E-1 -1.2284792E+5 -8.4908606E+2 7.4479114E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 4.000Cl- + 1.000Rh+2 = RhCl4-2 -llnl_gamma 4.7 log_k -3.297 delta_h -56.417 #kJ/mol #98sas/sho -analytic 1.4969138E+3 2.444351E-1 -8.2503761E+4 -5.4840133E+2 5.3881248E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Rh+3 + 1.000H2O = RhO+ + 2.000H+ -llnl_gamma 4.1 log_k -5.402 delta_h 75.962 #kJ/mol #98sas/sho -analytic 2.4708519E+2 4.0026999E-2 -1.4473707E+4 -8.8962661E+1 3.7836874E+5 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Rh+2 + 1.000H2O = RhO + 2.000H+ -llnl_gamma 3.4 log_k -15.950 delta_h 81.032 #kJ/mol #98sas/sho -analytic 3.1405806E+2 5.1150083E-2 -2.0383153E+4 -1.1576781E+2 8.5046889E+5 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Rh+2 + 1.000H2O = RhOH+ + 1.000H+ -llnl_gamma 4.1 log_k -7.835 delta_h 43.198 #kJ/mol #98sas/sho -analytic 2.2356249E+2 3.3738144E-2 -1.5117932E+4 -8.0753274E+1 8.0606176E+5 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Rh+3 + 1.000H2O = RhOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -2.499 delta_h 42.178 #kJ/mol #98sas/sho -analytic 1.9684414E+2 3.0495179E-2 -1.2853102E+4 -6.9750442E+1 6.4600168E+5 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Rh+3 + 1.000SO4-2 = RhSO4+ -llnl_gamma 4.1 log_k 1.560 delta_h 31.110 #kJ/mol #98sas/sho -analytic 1.6670619E+3 2.642195E-1 -9.1392176E+4 -6.0470209E+2 5.2045442E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Rh+2 + 1.000SO4-2 = RhSO4 -llnl_gamma 3.4 log_k 2.477 delta_h 4.798 #kJ/mol #98sas/sho -analytic 1.6662208E+3 2.6432319E-1 -9.0242269E+4 -6.0563896E+2 5.2212441E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Ru+3 + 2.000SO4-2 = Ru(SO4)2- -llnl_gamma 3.6 log_k 2.710 delta_h 64.563 #kJ/mol #98sas/sho -analytic 2.5456446E+3 4.0235711E-1 -1.41287E+5 -9.2146323E+2 8.0966263E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Ru+2 + 2.000SO4-2 = Ru(SO4)2-2 -llnl_gamma 4.7 log_k 4.147 delta_h 14.572 #kJ/mol #98sas/sho -analytic 1.8095619E+3 2.8292403E-1 -1.0145925E+5 -6.5406993E+2 6.1319114E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Ru+3 + 3.000SO4-2 = Ru(SO4)3-3 -llnl_gamma 6.7 log_k 2.328 delta_h 106.761 #kJ/mol #98sas/sho -analytic 2.7804944E+3 4.3599172E-1 -1.5859043E+5 -1.0023035E+3 9.235339E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Ru+2 + 3.000SO4-2 = Ru(SO4)3-4 -llnl_gamma 9.6 log_k 5.304 delta_h 27.151 #kJ/mol #98sas/sho -analytic 1.9783259E+3 3.0571737E-1 -1.1412874E+5 -7.1183657E+2 7.1124813E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Cl- + 1.000Ru+2 = RuCl+ -llnl_gamma 4.1 log_k -0.493 delta_h 5.645 #kJ/mol #98sas/sho -analytic 8.0085686E+2 1.3040388E-1 -4.4592021E+4 -2.9141439E+2 2.7040459E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Cl- + 1.000Ru+3 = RuCl+2 -llnl_gamma 5.7 log_k 2.183 delta_h -1.019 #kJ/mol #98sas/sho -analytic 8.4565856E+2 1.3854402E-1 -4.7776368E+4 -3.0665568E+2 3.0454602E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 2.000Cl- + 1.000Ru+3 = RuCl2+ -llnl_gamma 4.1 log_k 3.779 delta_h -14.033 #kJ/mol #98sas/sho -analytic 1.6644237E+3 2.7145897E-1 -9.2650509E+4 -6.0479587E+2 5.8402547E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 2.000Cl- + 1.000Ru+2 = RuCl2 -llnl_gamma 3.4 log_k -1.293 delta_h 0.824 #kJ/mol #98sas/sho -analytic 1.5955207E+3 2.5972086E-1 -8.7828073E+4 -5.8164465E+2 5.2953048E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 3.000Cl- + 1.000Ru+3 = RuCl3 -llnl_gamma 3.4 log_k 4.335 delta_h -37.199 #kJ/mol #98sas/sho -analytic 2.4332537E+3 3.9886877E-1 -1.3271282E+5 -8.8718139E+2 8.2272763E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 3.000Cl- + 1.000Ru+2 = RuCl3- -llnl_gamma 3.6 log_k -2.790 delta_h -13.870 #kJ/mol #98sas/sho -analytic 1.5591329E+3 2.5444943E-1 -8.6909466E+4 -5.6886182E+2 5.4510013E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 4.000Cl- + 1.000Ru+3 = RuCl4- -llnl_gamma 3.6 log_k 4.194 delta_h -75.975 #kJ/mol #98sas/sho -analytic 2.422649E+3 3.9314942E-1 -1.3186961E+5 -8.8412883E+2 8.386198E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 4.000Cl- + 1.000Ru+2 = RuCl4-2 -llnl_gamma 4.7 log_k -4.140 delta_h -47.364 #kJ/mol #98sas/sho -analytic 1.5103603E+3 2.4688837E-1 -8.4007718E+4 -5.5288768E+2 5.4880936E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 5.000Cl- + 1.000Ru+3 = RuCl5-2 -llnl_gamma 4.7 log_k 3.907 delta_h -165.659 #kJ/mol #98sas/sho -analytic 2.440593E+3 3.9395171E-1 -1.3121559E+5 -8.9436264E+2 8.8003351E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 6.000Cl- + 1.000Ru+3 = RuCl6-3 -llnl_gamma 6.7 log_k 3.525 delta_h -265.789 #kJ/mol #98sas/sho -analytic 2.3986671E+3 3.8299613E-1 -1.2423733E+5 -8.8470391E+2 8.5785132E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Ru+3 + 1.000H2O = RuO+ + 2.000H+ -llnl_gamma 4.1 log_k -3.511 delta_h 65.666 #kJ/mol #98sas/sho -analytic 2.3278218E+2 3.7687648E-2 -1.2698857E+4 -8.3997096E+1 2.5852116E+5 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Ru+2 + 1.000H2O = RuO + 2.000H+ -llnl_gamma 3.4 log_k -15.400 delta_h 78.642 #kJ/mol #98sas/sho -analytic 3.0726734E+2 4.9945697E-2 -1.9739908E+4 -1.1331861E+2 8.0439886E+5 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Ru+2 + 1.000H2O = RuOH+ + 1.000H+ -llnl_gamma 4.1 log_k -7.557 delta_h 42.231 #kJ/mol #98sas/sho -analytic 2.1465798E+2 3.2412844E-2 -1.4399221E+4 -7.7600316E+1 7.496886E+5 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Ru+3 + 1.000H2O = RuOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -2.235 delta_h 40.921 #kJ/mol #98sas/sho -analytic 1.8359445E+2 2.8310258E-2 -1.1623699E+4 -6.5172418E+1 5.3164471E+5 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Ru+3 + 1.000SO4-2 = RuSO4+ -llnl_gamma 4.1 log_k 2.066 delta_h 28.223 #kJ/mol #98sas/sho -analytic 1.6577992E+3 2.6264434E-1 -9.0447764E+4 -6.0149254E+2 5.1270885E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000Ru+2 + 1.000SO4-2 = RuSO4 -llnl_gamma 3.4 log_k 2.403 delta_h 5.341 #kJ/mol #98sas/sho -analytic 1.6653862E+3 2.6410257E-1 -9.0243637E+4 -6.0530093E+2 5.2208168E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; 1.000HS- = S-2 + 1.000H+ -llnl_gamma 5.0 log_k -17.100 delta_h 73.277 #kJ/mol #Internal calculation -analytic 7.5990577E+2 1.0332409E-1 -4.4623962E+4 -2.7564897E+2 2.1275005E+6 #References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; V°: Default value; 1.500HS- + 0.250S2O3-2 = S2-2 + 0.750H2O -llnl_gamma 4.7 log_k -3.332 delta_h 8.189 #kJ/mol #04chi -analytic -6.7494608E+1 -8.3051219E-3 3.5841897E+3 2.3253269E+1 -2.5968306E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 04chi; Cp: 88sho/hel; V°: 88sho/hel; 2.000SO3-2 + 2.000H+ = S2O5-2 + 1.000H2O -llnl_gamma 4.7 log_k 12.851 delta_h 2.605 #kJ/mol #Internal calculation -analytic 1.4398326E+3 2.3207016E-1 -7.9779598E+4 -5.1891599E+2 4.9275901E+6 #References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; Cp: 97asho/sas; V°: 97asho/sas; 2.000HS- + 0.500S2O3-2 + 1.000H+ = S3-2 + 1.500H2O -llnl_gamma 4.7 log_k 7.905 delta_h -44.062 #kJ/mol #04chi -analytic 6.0944351E+2 1.0131316E-1 -3.1252624E+4 -2.2227278E+2 2.0513662E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 04chi; Cp: 88sho/hel; V°: 88sho/hel; 1.000S2O4-2 + 1.000SO3-2 + 2.000H+ = S3O6-2 + 1.000H2O -llnl_gamma 4.7 log_k 18.882 delta_h -68.607 #kJ/mol #97asho/sas -analytic 1.3915088E+3 2.2410736E-1 -7.344261E+4 -5.0366254E+2 4.7259086E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 97asho/sas; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 2.500HS- + 0.750S2O3-2 + 2.000H+ = S4-2 + 2.250H2O -llnl_gamma 4.7 log_k 18.039 delta_h -90.143 #kJ/mol #04chi -analytic 1.2851749E+3 2.108594E-1 -6.6321358E+4 -4.674034E+2 4.3556807E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 04chi; Cp: 88sho/hel; V°: 88sho/hel; 1.000S2O3-2 + 1.000S2O4-2 + 2.000H+ = S4O6-2 + 1.000H2O -llnl_gamma 4.7 log_k 27.057 delta_h -104.283 #kJ/mol #97asho/sas -analytic 1.4881486E+3 2.3891761E-1 -7.6989541E+4 -5.3794071E+2 5.066786E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 97asho/sas; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 3.000HS- + 1.000S2O3-2 + 3.000H+ = S5-2 + 3.000H2O -llnl_gamma 4.7 log_k 27.953 delta_h -134.964 #kJ/mol #04chi -analytic 1.9639823E+3 3.2084145E-1 -1.0162344E+5 -7.1364456E+2 6.6692789E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 04chi; Cp: 88sho/hel; V°: 88sho/hel; 2.500S2O3-2 + 3.000H+ = S5O6-2 + 1.500H2O -llnl_gamma 4.7 log_k 0.873 delta_h 26.266 #kJ/mol #97asho/sas -analytic 2.0689312E+3 3.3258469E-1 -1.1610663E+5 -7.5037952E+2 7.01997E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 97asho/sas; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 4.000HS- + 2.000Sb(OH)3 + 2.000H+ = Sb2S4-2 + 6.000H2O -llnl_gamma 4.7 log_k 43.527 delta_h -258.255 #kJ/mol #Internal calculation -analytic 1.0090656E+3 1.8217565E-1 -3.7210477E+4 -3.7419458E+2 2.744198E+6 #References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app; 1.000CN- + 0.500HS- + 0.250S2O3-2 + 1.000H+ = SCN- + 0.750H2O -llnl_gamma 3.5 log_k 23.307 delta_h -117.402 #kJ/mol #97asho/sas -analytic 7.0313314E+2 1.1369087E-1 -3.2819997E+4 -2.5482736E+2 2.3920376E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Sc+3 + 1.000H2O = ScO+ + 2.000H+ -llnl_gamma 4.1 log_k -9.734 delta_h 106.303 #kJ/mol #97asho/sas -analytic 2.0996003E+2 3.4063531E-2 -1.2170602E+4 -7.6231148E+1 -3.5591983E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Sc+3 + 2.000H2O = ScO2- + 4.000H+ -llnl_gamma 3.6 log_k -25.991 delta_h 206.682 #kJ/mol #97asho/sas -analytic -1.8859669E+2 -3.3898954E-2 4.6758138E+3 6.9861707E+1 -1.4079381E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Sc+3 + 1.000H2O = ScOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -4.310 delta_h 60.247 #kJ/mol #97asho/sas -analytic 1.6067565E+2 2.4732952E-2 -9.8054372E+3 -5.7333991E+1 2.1312403E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000CN- + 0.750HSe- + 0.250SeO4-2 + 1.250H+ = SeCN- + 1.000H2O -llnl_gamma 3.6 log_k 43.892 delta_h -221.410 #kJ/mol #97asho/sas -analytic 9.242059E+2 1.4808733E-1 -3.9746951E+4 -3.3409613E+2 3.1596671E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 6.000F- + 1.000SO4-2 + 8.000H+ = SF6 + 4.000H2O -llnl_gamma 3.4 log_k -70.059 delta_h 548.922 #kJ/mol #01sch/sho -analytic 5.9960136E+3 9.5151254E-1 -3.6609435E+5 -2.1658085E+3 2.1091951E+7 #References = LogK/DGf: 01sch/sho; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho; 2.000H4SiO4 = Si2O2(OH)5- + 1.000H2O + 1.000H+ -llnl_gamma 3.6 log_k -8.499 delta_h 16.986 #kJ/mol #Internal calculation -analytic 7.8101365E+2 8.5739544E-2 -5.0901363E+4 -2.7533082E+2 3.2833934E+6 #References = LogK/DGf: 01fel/cho; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value; 2.000H4SiO4 = Si2O3(OH)4-2 + 1.000H2O + 2.000H+ -llnl_gamma 4.7 log_k -19.399 delta_h 52.399 #kJ/mol #Internal calculation -analytic 8.6570631E+2 8.5739544E-2 -5.6730365E+4 -3.0606191E+2 3.2833934E+6 #References = LogK/DGf: 01fel/cho; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value; 3.000H4SiO4 = Si3O5(OH)5-3 + 2.000H2O + 3.000H+ -llnl_gamma 4.5 log_k -29.398 delta_h 80.312 #kJ/mol #Internal calculation -analytic 1.2990071E+3 1.2864341E-1 -8.5216622E+4 -4.5924499E+2 4.9273308E+6 #References = LogK/DGf: 01fel/cho; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value; 3.000H4SiO4 = Si3O6(OH)3-3 + 3.000H2O + 3.000H+ -llnl_gamma 4.5 log_k -29.397 delta_h 80.312 #kJ/mol #Internal calculation -analytic 1.2999024E+3 1.2871161E-1 -8.527988E+4 -4.5954923E+2 4.9318122E+6 #References = LogK/DGf: 07las; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value; 4.000H4SiO4 = Si4O12H4-4 + 4.000H2O + 4.000H+ -llnl_gamma 9.6 log_k -39.196 delta_h 107.083 #kJ/mol #Internal calculation -analytic 1.7332032E+3 1.7161548E-1 -1.1370651E+5 -6.1273231E+2 6.5757496E+6 #References = LogK/DGf: 01fel/cho; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value; 4.000H4SiO4 = Si4O6(OH)6-2 + 4.000H2O + 2.000H+ -llnl_gamma 4.7 log_k -15.196 delta_h 23.697 #kJ/mol #Internal calculation -analytic 1.5638178E+3 1.7161548E-1 -1.0139257E+5 -5.5127012E+2 6.5757496E+6 #References = LogK/DGf: 07las; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value; 4.000H4SiO4 = Si4O7(OH)6-4 + 3.000H2O + 4.000H+ -llnl_gamma 9.6 log_k -39.097 delta_h 106.512 #kJ/mol #Internal calculation -analytic 1.7323079E+3 1.7154728E-1 -1.1361343E+5 -6.1242807E+2 6.5712682E+6 #References = LogK/DGf: 01fel/cho; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value; 4.000H4SiO4 = Si4O8(OH)4-4 + 4.000H2O + 4.000H+ -llnl_gamma 9.6 log_k -39.096 delta_h 106.512 #kJ/mol #Internal calculation -analytic 1.7332032E+3 1.7161548E-1 -1.1367669E+5 -6.1273231E+2 6.5757496E+6 #References = LogK/DGf: 01fel/cho; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value; 6.000H4SiO4 = Si6O15-6 + 9.000H2O + 6.000H+ -llnl_gamma 4.5 log_k -61.491 delta_h 176.036 #kJ/mol #Internal calculation -analytic 2.6024906E+3 2.5762779E-1 -1.7155454E+5 -9.200112E+2 9.8770686E+6 #References = LogK/DGf: 07las; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value; 6.000F- + 1.000H4SiO4 + 4.000H+ = SiF6-2 + 4.000H2O -llnl_gamma 4.7 log_k 26.230 delta_h -61.424 #kJ/mol #88sho/hel -analytic 3.1934139E+3 4.9694767E-1 -1.7458722E+5 -1.1524674E+3 1.0838297E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 88sho/hel; S°: 88sho/hel; Cp: 88sho/hel; V°: 88sho/hel; 1.000Cl- + 1.000Sm+3 = SmCl+2 -llnl_gamma 5.7 log_k 0.321 delta_h 14.474 #kJ/mol #95haa/sho -analytic 8.1417211E+2 1.3280197E-1 -4.5594837E+4 -2.9554583E+2 2.7369219E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000Cl- + 1.000Sm+3 = SmCl2+ -llnl_gamma 4.1 log_k -0.018 delta_h 19.990 #kJ/mol #95haa/sho -analytic 1.5580684E+3 2.5323028E-1 -8.5086085E+4 -5.6725841E+2 4.9280355E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000Cl- + 1.000Sm+3 = SmCl3 -llnl_gamma 3.4 log_k -0.356 delta_h 13.779 #kJ/mol #95haa/sho -analytic 2.2472115E+3 3.6383277E-1 -1.1911301E+5 -8.2077449E+2 6.61506E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000Cl- + 1.000Sm+3 = SmCl4- -llnl_gamma 3.6 log_k -0.768 delta_h -5.236 #kJ/mol #95haa/sho -analytic 1.6568796E+3 2.8048496E-1 -8.0746573E+4 -6.1229376E+2 3.9675027E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Sm+3 = SmCO3+ + 1.000H+ -llnl_gamma 4.1 log_k -2.462 delta_h -5.178 #kJ/mol #95haa/sho -analytic 7.1835641E+2 1.1692165E-1 -3.5990078E+4 -2.6496479E+2 1.8374614E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000F- + 1.000Sm+3 = SmF+2 -llnl_gamma 5.7 log_k 4.408 delta_h 22.985 #kJ/mol #95haa/sho -analytic 9.0554589E+2 1.4583337E-1 -5.0713701E+4 -3.2667564E+2 3.0058895E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000F- + 1.000Sm+3 = SmF2+ -llnl_gamma 4.1 log_k 7.717 delta_h 13.451 #kJ/mol #95haa/sho -analytic 1.7179479E+3 2.7518152E-1 -9.3475138E+4 -6.22421E+2 5.4564174E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000F- + 1.000Sm+3 = SmF3 -llnl_gamma 3.4 log_k 10.147 delta_h -8.776 #kJ/mol #95haa/sho -analytic 2.4953922E+3 3.9902376E-1 -1.3169031E+5 -9.0782875E+2 7.4528467E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000F- + 1.000Sm+3 = SmF4- -llnl_gamma 3.6 log_k 12.136 delta_h -50.074 #kJ/mol #95haa/sho -analytic 2.0120082E+3 3.2837569E-1 -9.9124291E+4 -7.3741155E+2 5.2770984E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000H2PO4- + 1.000Sm+3 = SmH2PO4+2 -llnl_gamma 5.7 log_k 1.037 delta_h -5.553 #kJ/mol #95haa/sho -analytic 8.4697763E+2 1.3486774E-1 -4.8140877E+4 -3.0688355E+2 3.0825285E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Sm+3 = SmHCO3+2 -llnl_gamma 5.7 log_k 1.789 delta_h 8.851 #kJ/mol #95haa/sho -analytic 8.6053586E+2 1.3744737E-1 -4.9163259E+4 -3.1096402E+2 3.0781802E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000NO3- + 1.000Sm+3 = SmNO3+2 -llnl_gamma 5.7 log_k 0.801 delta_h -29.298 #kJ/mol #95haa/sho -analytic 7.7580751E+2 1.2290978E-1 -4.3203029E+4 -2.8239195E+2 2.8456795E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Sm+3 + 1.000H2O = SmO+ + 2.000H+ -llnl_gamma 4.1 log_k -16.477 delta_h 150.160 #kJ/mol #95haa/sho -analytic 2.3947792E+2 3.8444535E-2 -1.6711908E+4 -8.6175799E+1 1.6631257E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Sm+3 + 2.000H2O = SmO2- + 4.000H+ -llnl_gamma 3.6 log_k -35.007 delta_h 266.129 #kJ/mol #95haa/sho -analytic -1.534254E+2 -2.8782339E-2 3.2144694E+1 5.7423699E+1 -1.3511117E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Sm+3 + 2.000H2O = SmO2H + 3.000H+ -llnl_gamma 3.4 log_k -25.918 delta_h 226.722 #kJ/mol #95haa/sho -analytic 3.6714266E+2 5.5496773E-2 -2.3719045E+4 -1.3307918E+2 -6.7297773E+4 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Sm+3 + 1.000H2O = SmOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -7.975 delta_h 81.791 #kJ/mol #95haa/sho -analytic 1.8272046E+2 2.7909271E-2 -1.3103937E+4 -6.4659494E+1 4.3827895E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000SO4-2 + 1.000Sm+3 = SmSO4+ -llnl_gamma 4.1 log_k 3.723 delta_h 19.890 #kJ/mol #95haa/sho -analytic 1.6441652E+3 2.60395E-1 -8.9216456E+4 -5.9647633E+2 5.0754538E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Sn+2 + 1.000H2O = SnO + 2.000H+ -llnl_gamma 3.4 log_k -7.073 delta_h 42.963 #kJ/mol #97asho/sas -analytic 2.1228185E+2 3.2818669E-2 -1.1494323E+4 -7.8384229E+1 2.9949478E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Sn+2 + 1.000H2O = SnOH+ + 1.000H+ -llnl_gamma 4.1 log_k -3.408 delta_h 27.532 #kJ/mol #97asho/sas -analytic 1.7410041E+2 2.5991343E-2 -9.8497669E+3 -6.3233284E+1 3.7737577E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000HCO3- + 1.000Sr+2 = Sr(CO3) + 1.000H+ -llnl_gamma 3.4 log_k -7.522 delta_h 36.523 #kJ/mol #Internal calculation -analytic 7.1800436E+2 1.171315E-1 -3.8145554E+4 -2.6404948E+2 1.8547807E+6 #References = LogK/DGf: 84bus/plu; DHf/DHr: Internal calculation; S°: 84bus/plu; Cp: 97sve/sho; V°: 97sve/sho; 1.000HCO3- + 1.000Sr+2 = Sr(HCO3)+ -llnl_gamma 4.1 log_k 1.180 delta_h 25.315 #kJ/mol #Internal calculation -analytic 9.6005853E+2 1.5199472E-1 -5.512222E+4 -3.463306E+2 3.3475113E+6 #References = LogK/DGf: 84bus/plu; DHf/DHr: Internal calculation; S°: 84bus/plu; Cp: 95sho/kor; V°: 95sho/kor; 1.000H2AsO4- + 1.000Sr+2 = SrAsO4- + 2.000H+ -llnl_gamma 3.6 log_k -13.586 delta_h 106.774 #kJ/mol #Internal calculation -analytic 3.0904721E+2 4.4557781E-2 -1.832413E+4 -1.1237028E+2 3.1953307E+5 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Cl- + 1.000Sr+2 = SrCl+ -llnl_gamma 4.1 log_k -0.230 delta_h 7.551 #kJ/mol #Internal calculation -analytic 8.1483026E+2 1.3239194E-1 -4.5357106E+4 -2.9629935E+2 2.7351601E+6 #References = LogK/DGf: 96bou; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000F- + 1.000Sr+2 = SrF+ -llnl_gamma 4.1 log_k 0.174 delta_h 4.780 #kJ/mol #97sve/sho -analytic 8.5496899E+2 1.368167E-1 -4.7790674E+4 -3.1037331E+2 2.9069966E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000H2AsO3- + 1.000Sr+2 = SrH2AsO3+ -llnl_gamma 4.1 log_k 0.399 delta_h 0.626 #kJ/mol #Internal calculation -analytic 6.6324976E+2 1.0241115E-1 -3.4997772E+4 -2.4144499E+2 1.9057487E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000H2AsO4- + 1.000Sr+2 = SrH2AsO4+ -llnl_gamma 4.1 log_k 0.820 delta_h 3.838 #kJ/mol #Internal calculation -analytic 8.6396585E+2 1.3631095E-1 -4.8294185E+4 -3.1310918E+2 2.9299955E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000H2PO4- + 1.000Sr+2 = SrH2PO4+ -llnl_gamma 4.1 log_k 0.830 #References = LogK/DGf: 97smi/mar; #References = LogK/DGf: 97smi/mar; V°: Default value; 1.000H2AsO4- + 1.000Sr+2 = SrHAsO4 + 1.000H+ -llnl_gamma 3.4 log_k -5.151 delta_h 16.090 #kJ/mol #Internal calculation -analytic 8.6809689E+2 1.3702902E-1 -4.693967E+4 -3.1741697E+2 2.5566549E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000H2PO4- + 1.000Sr+2 = SrHPO4 + 1.000H+ -llnl_gamma 3.4 log_k -4.700 #References = LogK/DGf: 97smi/mar; #References = LogK/DGf: 97smi/mar; V°: Default value; 1.000Sr+2 + 1.000H2O = SrOH+ + 1.000H+ -llnl_gamma 4.1 log_k -13.291 delta_h 82.608 #kJ/mol #Internal calculation -analytic 1.6150632E+2 2.3851214E-2 -1.2107439E+4 -5.8671532E+1 3.4480512E+5 #References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 2.000H2PO4- + 1.000Sr+2 = SrP2O7-2 + 1.000H2O + 2.000H+ -llnl_gamma 4.7 log_k -12.410 #References = LogK/DGf: 76smi/mar; #References = LogK/DGf: 76smi/mar; V°: Default value; 1.000H2PO4- + 1.000Sr+2 = SrPO4- + 2.000H+ -llnl_gamma 3.6 log_k -13.560 #References = LogK/DGf: 96bou; #References = LogK/DGf: 96bou; V°: Default value; 1.000SO4-2 + 1.000Sr+2 = SrSO4 -llnl_gamma 3.4 log_k 2.300 delta_h 7.029 #kJ/mol #06bla/ign -analytic 1.7733453E+3 2.6670271E-1 -9.7497524E+4 -6.413138E+2 5.6300434E+6 #References = LogK/DGf: 06bla/ign; DHf/DHr: 06bla/ign; S°: Internal calculation; V°: Default value; 1.000Cl- + 1.000Tb+3 = TbCl+2 -llnl_gamma 5.7 log_k 0.248 delta_h 14.019 #kJ/mol #95haa/sho -analytic 8.2636104E+2 1.3516797E-1 -4.6635953E+4 -2.9986247E+2 2.8440851E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000Cl- + 1.000Tb+3 = TbCl2+ -llnl_gamma 4.1 log_k -0.018 delta_h 17.994 #kJ/mol #95haa/sho -analytic 1.5906954E+3 2.5921921E-1 -8.7918237E+4 -5.7867999E+2 5.2256902E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000Cl- + 1.000Tb+3 = TbCl3 -llnl_gamma 3.4 log_k -0.429 delta_h 10.206 #kJ/mol #95haa/sho -analytic 2.3151183E+3 3.7630779E-1 -1.247778E+5 -8.4469864E+2 7.1927767E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000Cl- + 1.000Tb+3 = TbCl4- -llnl_gamma 3.6 log_k -0.841 delta_h -11.803 #kJ/mol #95haa/sho -analytic 2.1704268E+3 3.5191218E-1 -1.1409841E+5 -7.9440436E+2 6.4180145E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Tb+3 = TbCO3+ + 1.000H+ -llnl_gamma 4.1 log_k -2.389 delta_h -6.595 #kJ/mol #95haa/sho -analytic 7.1212505E+2 1.1821654E-1 -3.5408636E+4 -2.6324747E+2 1.8124839E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000F- + 1.000Tb+3 = TbF+2 -llnl_gamma 5.7 log_k 4.702 delta_h 22.684 #kJ/mol #95haa/sho -analytic 9.1896466E+2 1.4848782E-1 -5.177363E+4 -3.313443E+2 3.1117015E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000F- + 1.000Tb+3 = TbF2+ -llnl_gamma 4.1 log_k 8.231 delta_h 12.020 #kJ/mol #95haa/sho -analytic 1.7544687E+3 2.8187539E-1 -9.6470192E+4 -6.350959E+2 5.7591124E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000F- + 1.000Tb+3 = TbF3 -llnl_gamma 3.4 log_k 10.807 delta_h -11.918 #kJ/mol #95haa/sho -analytic 2.5641075E+3 4.1149879E-1 -1.3737764E+5 -9.3175286E+2 8.0305635E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000F- + 1.000Tb+3 = TbF4- -llnl_gamma 3.6 log_k 12.943 delta_h -56.422 #kJ/mol #95haa/sho -analytic 2.5515098E+3 4.0376057E-1 -1.3381086E+5 -9.2865621E+2 7.8008251E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000H2PO4- + 1.000Tb+3 = TbH2PO4+2 -llnl_gamma 5.7 log_k 0.963 delta_h -7.005 #kJ/mol #95haa/sho -analytic 8.5978383E+2 1.3733122E-1 -4.9177603E+4 -3.114809E+2 3.1926732E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Tb+3 = TbHCO3+2 -llnl_gamma 5.7 log_k 1.716 delta_h -14.557 #kJ/mol #95haa/sho -analytic 8.5057733E+2 1.3578269E-1 -4.829781E+4 -3.0831738E+2 3.1608408E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000NO3- + 1.000Tb+3 = TbNO3+2 -llnl_gamma 5.7 log_k 0.508 delta_h -31.242 #kJ/mol #95haa/sho -analytic 7.8947618E+2 1.2539959E-1 -4.4309528E+4 -2.8736823E+2 2.9630605E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Tb+3 + 1.000H2O = TbO+ + 2.000H+ -llnl_gamma 4.1 log_k -16.184 delta_h 146.740 #kJ/mol #95haa/sho -analytic 2.3041021E+2 3.7258499E-2 -1.5919285E+4 -8.3105957E+1 1.1830429E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Tb+3 + 2.000H2O = TbO2- + 4.000H+ -llnl_gamma 3.6 log_k -34.201 delta_h 258.906 #kJ/mol #95haa/sho -analytic -1.495695E+2 -2.8083973E-2 -2.3142501E+1 5.597371E+1 -1.3052849E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Tb+3 + 2.000H2O = TbO2H + 3.000H+ -llnl_gamma 3.4 log_k -25.038 delta_h 219.580 #kJ/mol #95haa/sho -analytic 2.6483149E+2 3.8897158E-2 -1.8164965E+4 -9.5678399E+1 -3.370285E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Tb+3 + 1.000H2O = TbOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -7.828 delta_h 79.582 #kJ/mol #95haa/sho -analytic 1.7703049E+2 2.7233874E-2 -1.2534766E+4 -6.2805138E+1 3.9742806E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000SO4-2 + 1.000Tb+3 = TbSO4+ -llnl_gamma 4.1 log_k 3.723 delta_h 19.266 #kJ/mol #95haa/sho -analytic 1.6378251E+3 2.5957544E-1 -8.8820202E+4 -5.94252E+2 5.0533547E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Tl+3 + 2.000H2O = Tl(OH)2+ + 2.000H+ -llnl_gamma 4.1 log_k -1.572 delta_h 59.815 #kJ/mol #Internal calculation -analytic 4.7218515E+2 6.9545809E-2 -2.6023983E+4 -1.6940589E+2 1.0646261E+6 #References = LogK/DGf: 81tur/whi; DHf/DHr: Internal calculation; S°: 17abla; V°: Default value; 1.000Tl+3 + 1.000SO4-2 = Tl(SO4)+ -llnl_gamma 4.1 log_k 4.380 delta_h 11.958 #kJ/mol #Internal calculation -analytic 1.8636003E+3 2.9458614E-1 -1.0166412E+5 -6.7594522E+2 5.9126895E+6 #References = LogK/DGf: 81tur/whi; DHf/DHr: Internal calculation; S°: 17abla; V°: Default value; 1.000Tl+3 + 1.000Cl- = TlCl+2 -llnl_gamma 5.7 log_k 7.743 delta_h -27.242 #kJ/mol #Internal calculation -analytic 7.8251409E+2 1.2726044E-1 -4.001214E+4 -2.8493608E+2 2.3595039E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 82wag/eva; Cp: 97sve/sho; V°: 97sve/sho; 1.000Cl- + 1.000Tl+ = TlCl -llnl_gamma 3.4 log_k 0.523 delta_h -11.690 #kJ/mol #09xio -analytic 6.4703392E+2 1.0349928E-1 -3.4122023E+4 -2.3649987E+2 1.9805263E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: 09xio; S°: Internal calculation; Cp: 97sve/sho; V°: 97sve/sho; 1.000Tl+3 + 2.000Cl- = TlCl2+ -llnl_gamma 4.1 log_k 13.500 delta_h -44.780 #kJ/mol #Internal calculation -analytic 1.750445E+3 2.8169841E-1 -9.1628977E+4 -6.3646924E+2 5.4485764E+6 #References = LogK/DGf: 81tur/whi; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value; 1.000Tl+ + 2.000Cl- = TlCl2- -llnl_gamma 3.6 log_k 0.003 delta_h -17.850 #kJ/mol #82wag/eva -analytic 1.3893248E+3 2.1764815E-1 -7.5784216E+4 -5.0567911E+2 4.5547087E+6 #References = LogK/DGf: 09xio; DHf/DHr: 82wag/eva; S°: Internal calculation; V°: Default value; 1.000Tl+3 + 3.000Cl- = TlCl3 -llnl_gamma 3.4 log_k 16.500 delta_h -47.474 #kJ/mol #Internal calculation -analytic 2.3934452E+3 3.843613E-1 -1.2660332E+5 -8.6959112E+2 7.5411512E+6 #References = LogK/DGf: 81tur/whi; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value; 1.000Tl+3 + 4.000Cl- = TlCl4- -llnl_gamma 3.6 log_k 18.340 delta_h -42.354 #kJ/mol #Internal calculation -analytic 3.0366544E+3 4.8702419E-1 -1.6198581E+5 -1.102713E+3 9.6337261E+6 #References = LogK/DGf: 81tur/whi; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value; 1.000Tl+ + 1.000HCO3- = TlCO3- + 1.000H+ -llnl_gamma 3.6 log_k -8.170 delta_h 11.100 #kJ/mol #17abla -analytic 7.4258904E+2 1.0785078E-1 -4.1546418E+4 -2.7059248E+2 2.3108796E+6 #References = LogK/DGf: 09xio; DHf/DHr: 17abla; S°: Internal calculation; V°: Default value; 1.000F- + 1.000Tl+ = TlF -llnl_gamma 3.4 log_k 0.100 delta_h 7.510 #kJ/mol #Internal calculation -analytic 7.2684871E+2 1.1460751E-1 -3.9447134E+4 -2.6421494E+2 2.2374501E+6 #References = LogK/DGf: 09xio; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000Tl+ + 1.000HCO3- = TlHCO3 -llnl_gamma 3.4 log_k 0.900 delta_h 8.480 #kJ/mol #17abla -analytic 6.9710113E+2 1.0785078E-1 -3.9001301E+4 -2.5199367E+2 2.3108796E+6 #References = LogK/DGf: 09xio; DHf/DHr: 17abla; S°: Internal calculation; V°: Default value; 1.000HS- + 1.000Tl+ = TlHS -llnl_gamma 3.4 log_k 2.710 delta_h 8.473 #kJ/mol #17abla -analytic 7.5537043E+2 1.1564646E-1 -4.2183394E+4 -2.7228323E+2 2.4970595E+6 #References = LogK/DGf: 09xio; DHf/DHr: 17abla; S°: Internal calculation; V°: Default value; 1.000Tl+3 + 2.000H2O = TlO2- + 4.000H+ -llnl_gamma 3.6 log_k -15.002 delta_h 155.557 #kJ/mol #Internal calculation -analytic -2.0948209E+2 -3.8490419E-2 1.1887029E+4 7.6320668E+1 -2.0235551E+6 #References = LogK/DGf: 81tur/whi; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Tl+3 + 1.000H2O = TlOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -0.645 delta_h 10.635 #kJ/mol #Internal calculation -analytic 1.2102576E+2 1.7623845E-2 -5.4871523E+3 -4.4364466E+1 1.1166343E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Tl+ + 1.000H2O = TlOH + 1.000H+ -llnl_gamma 3.4 log_k -13.311 delta_h 58.237 #kJ/mol #Internal calculation -analytic 1.1431624E+1 -1.7536167E-3 -2.2386304E+3 -5.6072879E+0 -2.5214866E+5 #References = LogK/DGf: 09xio; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Tl+ + 1.000H2PO4- = TlPO4-2 + 2.000H+ -llnl_gamma 4.7 log_k -16.020 delta_h 3.600 #kJ/mol #17abla -analytic 7.9859329E+2 1.093651E-1 -4.4043004E+4 -2.9325589E+2 2.323945E+6 #References = LogK/DGf: 09xio; DHf/DHr: 17abla; S°: Internal calculation; V°: Default value; 1.000Tl+ + 1.000SO4-2 = TlSO4- -llnl_gamma 3.6 log_k 1.380 delta_h -0.840 #kJ/mol #82wag/eva -analytic 1.5130908E+3 2.3053588E-1 -8.4059115E+4 -5.4758698E+2 5.0188218E+6 #References = LogK/DGf: 09xio; DHf/DHr: 82wag/eva; S°: Internal calculation; V°: Default value; 1.000Cl- + 1.000Tm+3 = TmCl+2 -llnl_gamma 5.7 log_k 0.248 delta_h 13.021 #kJ/mol #95haa/sho -analytic 8.2725254E+2 1.3522114E-1 -4.6781641E+4 -3.0014456E+2 2.8689133E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000Cl- + 1.000Tm+3 = TmCl2+ -llnl_gamma 4.1 log_k -0.018 delta_h 15.499 #kJ/mol #95haa/sho -analytic 1.596674E+3 2.6008877E-1 -8.8474395E+4 -5.8078125E+2 5.2992002E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000Cl- + 1.000Tm+3 = TmCl3 -llnl_gamma 3.4 log_k -0.429 delta_h 5.216 #kJ/mol #95haa/sho -analytic 2.3311248E+3 3.7940083E-1 -1.2591784E+5 -8.5061337E+2 7.3288424E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000Cl- + 1.000Tm+3 = TmCl4- -llnl_gamma 3.6 log_k -0.841 delta_h -20.411 #kJ/mol #95haa/sho -analytic 2.1934565E+3 3.5555354E-1 -1.1596144E+5 -8.0268756E+2 6.6517664E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Tm+3 = TmCO3+ + 1.000H+ -llnl_gamma 4.1 log_k -2.096 delta_h -9.266 #kJ/mol #95haa/sho -analytic 7.3741081E+2 1.1985828E-1 -3.6824427E+4 -2.720086E+2 1.8965221E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000F- + 1.000Tm+3 = TmF+2 -llnl_gamma 5.7 log_k 4.848 delta_h 23.594 #kJ/mol #95haa/sho -analytic 9.2055338E+2 1.4875225E-1 -5.1992581E+4 -3.3175841E+2 3.1328666E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000F- + 1.000Tm+3 = TmF2+ -llnl_gamma 4.1 log_k 8.450 delta_h 12.511 #kJ/mol #95haa/sho -analytic 1.7625729E+3 2.8321721E-1 -9.7201143E+4 -6.3777764E+2 5.8304994E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000F- + 1.000Tm+3 = TmF3 -llnl_gamma 3.4 log_k 11.100 delta_h -12.843 #kJ/mol #95haa/sho -analytic 2.581118E+3 4.145917E-1 -1.387299E+5 -9.3766715E+2 8.166623E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000F- + 1.000Tm+3 = TmF4- -llnl_gamma 3.6 log_k 13.309 delta_h -60.635 #kJ/mol #95haa/sho -analytic 2.5968229E+3 4.1089444E-1 -1.3698725E+5 -9.4470067E+2 8.0924911E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000H2PO4- + 1.000Tm+3 = TmH2PO4+2 -llnl_gamma 5.7 log_k 1.037 delta_h -9.794 #kJ/mol #95haa/sho -analytic 8.6116717E+2 1.3741429E-1 -4.9286637E+4 -3.1200451E+2 3.2217001E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Tm+3 = TmHCO3+2 -llnl_gamma 5.7 log_k 1.789 delta_h 4.984 #kJ/mol #95haa/sho -analytic 8.6648429E+2 1.3874757E-1 -4.9876153E+4 -3.1307386E+2 3.1915767E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000NO3- + 1.000Tm+3 = TmNO3+2 -llnl_gamma 5.7 log_k 0.215 delta_h -34.060 #kJ/mol #95haa/sho -analytic 7.932343E+2 1.2571503E-1 -4.4605059E+4 -2.8883348E+2 3.0049758E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Tm+3 + 1.000H2O = TmO+ + 2.000H+ -llnl_gamma 4.1 log_k -15.891 delta_h 142.945 #kJ/mol #95haa/sho -analytic 2.2770462E+2 3.6724939E-2 -1.5905776E+4 -8.2035852E+1 1.596092E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Tm+3 + 2.000H2O = TmO2- + 4.000H+ -llnl_gamma 3.6 log_k -32.661 delta_h 247.001 #kJ/mol #95haa/sho -analytic -1.5124606E+2 -2.8469133E-2 -6.8329283E+1 5.6871852E+1 -1.1932921E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Tm+3 + 2.000H2O = TmO2H + 3.000H+ -llnl_gamma 3.4 log_k -24.159 delta_h 211.940 #kJ/mol #95haa/sho -analytic 2.9020407E+2 4.300493E-2 -1.9754531E+4 -1.0472071E+2 -1.6028079E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Tm+3 + 1.000H2O = TmOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -7.681 delta_h 77.123 #kJ/mol #95haa/sho -analytic 1.7767273E+2 2.7229271E-2 -1.2731747E+4 -6.2946444E+1 4.4330242E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000SO4-2 + 1.000Tm+3 = TmSO4+ -llnl_gamma 4.1 log_k 3.649 delta_h 19.684 #kJ/mol #95haa/sho -analytic 1.645014E+3 2.6061557E-1 -8.924154E+4 -5.9684661E+2 5.0765674E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000U+4 + 1.000H2O = U(OH)+3 + 1.000H+ -llnl_gamma 8.2 log_k -0.535 delta_h 46.808 #kJ/mol #97bsho/sas -analytic 1.7101348E+2 2.7066935E-2 -1.0634169E+4 -6.0084821E+1 4.2003067E+5 #References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas; 1.000U+3 + 1.000H2O = UO+ + 2.000H+ -llnl_gamma 4.1 log_k -12.702 delta_h 130.982 #kJ/mol #97bsho/sas -analytic 2.3111318E+2 3.7178722E-2 -1.4465797E+4 -8.3476779E+1 1.564297E+4 #References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas; 1.000U+4 + 1.000H2O = UO+2 + 2.000H+ -llnl_gamma 5.7 log_k -2.001 delta_h 73.139 #kJ/mol #97bsho/sas -analytic 2.308384E+2 3.8167946E-2 -1.2316234E+4 -8.2788607E+1 1.7290833E+5 #References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas; 1.000U+4 + 2.000H2O = UO2 + 4.000H+ -llnl_gamma 3.4 log_k -4.551 delta_h 76.066 #kJ/mol #97bsho/sas -analytic 5.9175465E+2 9.7336954E-2 -3.241666E+4 -2.1504124E+2 1.3782915E+6 #References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas; 1.000UO2+2 + 1.000H2O = UO2OH+ + 1.000H+ -llnl_gamma 4.1 log_k -5.211 delta_h 43.313 #kJ/mol #97bsho/sas -analytic 1.2256731E+2 1.9794452E-2 -7.1064014E+3 -4.4921584E+1 1.1648421E+5 #References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas; 1.000UO2+ + 1.000H2O = UO2OH + 1.000H+ -llnl_gamma 3.4 log_k -18.156 delta_h 72.918 #kJ/mol #97bsho/sas -analytic 2.6086013E+2 4.0103499E-2 -1.9758974E+4 -9.5644948E+1 1.0637182E+6 #References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas; 1.000UO2+2 + 1.000H2O = UO3 + 2.000H+ -llnl_gamma 3.4 log_k -10.305 delta_h 51.185 #kJ/mol #97bsho/sas -analytic 2.2788881E+2 3.8664183E-2 -1.262414E+4 -8.5383135E+1 3.4620169E+5 #References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas; 1.000UO2+ + 1.000H2O = UO3- + 2.000H+ -llnl_gamma 3.6 log_k -36.481 delta_h 170.532 #kJ/mol #97bsho/sas -analytic -3.3047935E+2 -5.8240061E-2 6.1303609E+3 1.2062567E+2 -6.8261122E+5 #References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas; 1.000UO2+2 + 2.000H2O = UO4-2 + 4.000H+ -llnl_gamma 4.7 log_k -33.013 delta_h 142.227 #kJ/mol #97bsho/sas -analytic -1.0408635E+3 -1.7075415E-1 5.0554951E+4 3.7593102E+2 -3.6462617E+6 #References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas; 1.000U+3 + 1.000H2O = UOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -6.179 delta_h 73.411 #kJ/mol #97bsho/sas -analytic 1.6701811E+2 2.5515959E-2 -1.1019904E+4 -5.9329998E+1 2.6354985E+5 #References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas; 1.000V+3 + 1.000H2O = VO+ + 2.000H+ -llnl_gamma 4.1 log_k -6.215 delta_h 89.338 #kJ/mol #97asho/sas -analytic 2.0995699E+2 3.4110521E-2 -1.0386006E+4 -7.6592412E+1 -1.7641742E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000VO2+ + 2.000H2O = VO4-3 + 4.000H+ -llnl_gamma 6.7 log_k -28.410 delta_h 89.131 #kJ/mol #97asho/sas -analytic -1.266962E+3 -2.1762336E-1 5.6529425E+4 4.6396661E+2 -3.0418819E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000V+2 + 1.000H2O = VOH+ + 1.000H+ -llnl_gamma 4.1 log_k -6.509 delta_h 34.502 #kJ/mol #97asho/sas -analytic 2.4010799E+2 3.6386614E-2 -1.5867164E+4 -8.6664385E+1 9.0661687E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000V+3 + 1.000H2O = VOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -2.257 delta_h 47.409 #kJ/mol #97asho/sas -analytic 1.4320961E+2 2.1803112E-2 -7.6452307E+3 -5.1357679E+1 6.7215145E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000VO+2 + 1.000H2O = VOOH+ + 1.000H+ -llnl_gamma 4.1 log_k -5.629 delta_h 29.107 #kJ/mol #97asho/sas -analytic 1.4555154E+2 2.1494564E-2 -8.3262407E+3 -5.3602352E+1 2.6426314E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Cl- + 1.000Yb+3 = YbCl+2 -llnl_gamma 5.7 log_k 0.333 delta_h 13.785 #kJ/mol #95haa/sho -analytic 8.2488046E+2 1.3489572E-1 -4.6522415E+4 -2.9931396E+2 2.8359431E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000Cl- + 1.000Yb+3 = YbCl2+ -llnl_gamma 4.1 log_k -0.079 delta_h 17.474 #kJ/mol #95haa/sho -analytic 1.5878363E+3 2.5863439E-1 -8.77071E+4 -5.7769176E+2 5.209526E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000Cl- + 1.000Yb+3 = YbCl3 -llnl_gamma 3.4 log_k -0.565 delta_h 8.358 #kJ/mol #95haa/sho -analytic 2.3001138E+3 3.7624092E-1 -1.2384903E+5 -8.3980157E+2 7.1622577E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000Cl- + 1.000Yb+3 = YbCl4- -llnl_gamma 3.6 log_k -0.976 delta_h -16.270 #kJ/mol #95haa/sho -analytic 2.1638343E+3 3.5055793E-1 -1.1343544E+5 -7.9233787E+2 6.3757106E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Yb+3 = YbCO3+ + 1.000H+ -llnl_gamma 4.1 log_k -1.865 delta_h -9.464 #kJ/mol #95haa/sho -analytic 7.4105886E+2 1.2046211E-1 -3.7100317E+4 -2.7321315E+2 1.9240048E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000F- + 1.000Yb+3 = YbF+2 -llnl_gamma 5.7 log_k 5.006 delta_h 23.066 #kJ/mol #95haa/sho -analytic 9.179499E+2 1.4835679E-1 -5.1674109E+4 -3.3088189E+2 3.1010742E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000F- + 1.000Yb+3 = YbF2+ -llnl_gamma 4.1 log_k 8.609 delta_h 11.983 #kJ/mol #95haa/sho -analytic 1.7534795E+3 2.8169805E-1 -9.6313719E+4 -6.3465697E+2 5.7421414E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 3.000F- + 1.000Yb+3 = YbF3 -llnl_gamma 3.4 log_k 11.331 delta_h -13.539 #kJ/mol #95haa/sho -analytic 2.562976E+3 4.1143192E-1 -1.3704712E+5 -9.3138478E+2 8.0000444E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 4.000F- + 1.000Yb+3 = YbF4- -llnl_gamma 3.6 log_k 13.541 delta_h -60.458 #kJ/mol #95haa/sho -analytic 2.5622195E+3 4.0508659E-1 -1.3402503E+5 -9.3263002E+2 7.804744E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000H2PO4- + 1.000Yb+3 = YbH2PO4+2 -llnl_gamma 5.7 log_k 1.268 delta_h -9.505 #kJ/mol #95haa/sho -analytic 8.5853416E+2 1.3704918E-1 -4.8983087E+4 -3.1105899E+2 3.1875167E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000HCO3- + 1.000Yb+3 = YbHCO3+2 -llnl_gamma 5.7 log_k 2.014 delta_h 5.195 #kJ/mol #95haa/sho -analytic 8.6527744E+2 1.3861987E-1 -4.9642822E+4 -3.1265861E+2 3.1613768E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000NO3- + 1.000Yb+3 = YbNO3+2 -llnl_gamma 5.7 log_k 0.373 delta_h -32.716 #kJ/mol #95haa/sho -analytic 7.8981106E+2 1.2529328E-1 -4.4290668E+4 -2.8758469E+2 2.9660832E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Yb+3 + 1.000H2O = YbO+ + 2.000H+ -llnl_gamma 4.1 log_k -15.586 delta_h 142.704 #kJ/mol #95haa/sho -analytic 2.3085797E+2 3.7325098E-2 -1.6026277E+4 -8.3126742E+1 1.6635003E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Yb+3 + 2.000H2O = YbO2- + 4.000H+ -llnl_gamma 3.6 log_k -32.503 delta_h 247.846 #kJ/mol #95haa/sho -analytic -1.5571639E+2 -2.9002889E-2 2.9112414E+2 5.8483761E+1 -1.2294431E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Yb+3 + 2.000H2O = YbO2H + 3.000H+ -llnl_gamma 3.4 log_k -23.707 delta_h 210.986 #kJ/mol #95haa/sho -analytic 2.8726132E+2 4.2278767E-2 -1.9408728E+4 -1.0358532E+2 -1.9217377E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Yb+3 + 1.000H2O = YbOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -7.450 delta_h 77.175 #kJ/mol #95haa/sho -analytic 1.7990797E+2 2.7683251E-2 -1.2826988E+4 -6.3705386E+1 4.4846911E+5 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000SO4-2 + 1.000Yb+3 = YbSO4+ -llnl_gamma 4.1 log_k 3.807 delta_h 19.531 #kJ/mol #95haa/sho -analytic 1.6441577E+3 2.6056591E-1 -8.9158771E+4 -5.9651812E+2 5.0711182E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 1.000Y+3 + 1.000H2O = YO+ + 2.000H+ -llnl_gamma 4.1 log_k -16.404 delta_h 144.876 #kJ/mol #97asho/sas -analytic 1.9607957E+2 3.1746857E-2 -1.3335148E+4 -7.11862E+1 -9.57392E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Y+3 + 2.000H2O = YO2- + 4.000H+ -llnl_gamma 3.6 log_k -36.473 delta_h 267.261 #kJ/mol #97asho/sas -analytic -1.771422E+2 -3.2428094E-2 1.0912832E+3 6.5672868E+1 -1.4068141E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Y+3 + 1.000H2O = YOH+2 + 1.000H+ -llnl_gamma 5.7 log_k -7.681 delta_h 76.375 #kJ/mol #97asho/sas -analytic 1.461105E+2 2.2221495E-2 -1.0017949E+4 -5.2100917E+1 1.8699011E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 2.000HS- + 1.000Zn+2 = Zn(HS)2 -llnl_gamma 3.4 log_k 9.688 delta_h -25.428 #kJ/mol #14aki/tag -analytic 1.3697011E+3 2.3985132E-1 -7.1784109E+4 -5.0120469E+2 4.3948013E+6 #References = LogK/DGf: 14aki/tag; DHf/DHr: 14aki/tag; S°: Internal calculation; Cp: 14aki/tag; V°: 14aki/tag; 2.000HS- + 1.000Zn+2 + 1.000H2O = Zn(HS)2OH- + 1.000H+ -llnl_gamma 3.6 log_k 3.450 delta_h -15.391 #kJ/mol #14aki/tag -analytic 3.0809716E+1 5.4932382E-2 1.1491841E+4 -2.6910778E+1 -1.3950136E+6 #References = LogK/DGf: 14aki/tag; DHf/DHr: 14aki/tag; S°: Internal calculation; Cp: 14aki/tag; V°: 14aki/tag; 3.000HS- + 1.000Zn+2 = Zn(HS)3- -llnl_gamma 3.6 log_k 13.261 delta_h -47.972 #kJ/mol #14aki/tag -analytic 1.8887087E+3 3.001466E-1 -1.0404038E+5 -6.8337985E+2 6.6666278E+6 #References = LogK/DGf: 14aki/tag; DHf/DHr: 14aki/tag; S°: Internal calculation; Cp: 14aki/tag; V°: 14aki/tag; 4.000HS- + 1.000Zn+2 = Zn(HS)4-2 -llnl_gamma 4.7 log_k 14.422 delta_h -55.182 #kJ/mol #14aki/tag -analytic 1.9390201E+3 3.0749579E-1 -1.082167E+5 -7.005019E+2 7.1139995E+6 #References = LogK/DGf: 14aki/tag; DHf/DHr: 14aki/tag; S°: Internal calculation; Cp: 14aki/tag; V°: 14aki/tag; 2.000Zn+2 + 1.000H2O = Zn2OH+3 + 1.000H+ -llnl_gamma 8.2 log_k -7.900 #References = LogK/DGf: 13pow/bro; #References = LogK/DGf: 13pow/bro; V°: Default value; 1.000H2AsO4- + 1.000Zn+2 = ZnAsO4- + 2.000H+ -llnl_gamma 3.6 log_k -11.051 delta_h 84.413 #kJ/mol #Internal calculation -analytic 2.6279953E+2 3.4757121E-2 -1.4936863E+4 -9.5458378E+1 1.8580873E+5 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Br- + 1.000Zn+2 = ZnBr+ -llnl_gamma 4.1 log_k -0.600 delta_h 12.644 #kJ/mol #18las/bla -analytic 2.1871288E+3 3.7000624E-1 -1.1686597E+5 -8.0098541E+2 6.7479398E+6 #References = LogK/DGf: 12liu/bor; DHf/DHr: 18las/bla; S°: Internal calculation; Cp: 18las/bla; V°: 18las/bla; 2.000Br- + 1.000Zn+2 = ZnBr2 -llnl_gamma 3.4 log_k -1.000 delta_h 44.176 #kJ/mol #18las/bla -analytic 3.4973497E+3 6.0799813E-1 -1.8795473E+5 -1.2821009E+3 1.0956471E+7 #References = LogK/DGf: 12liu/bor; DHf/DHr: 18las/bla; S°: Internal calculation; Cp: 18las/bla; V°: 18las/bla; 3.000Br- + 1.000Zn+2 = ZnBr3- -llnl_gamma 3.6 log_k -1.800 delta_h 45.292 #kJ/mol #18las/bla -analytic 1.1951492E+3 2.4740138E-1 -6.3318177E+4 -4.4485712E+2 3.7715864E+6 #References = LogK/DGf: 12liu/bor; DHf/DHr: 18las/bla; S°: Internal calculation; Cp: 18las/bla; V°: 18las/bla; 4.000Br- + 1.000Zn+2 = ZnBr4-2 -llnl_gamma 4.7 log_k -1.300 delta_h 14.919 #kJ/mol #18las/bla -analytic 1.2534971E+4 1.9885931E+0 -6.8170832E+5 -4.5623671E+3 3.969726E+7 #References = LogK/DGf: 12liu/bor; DHf/DHr: 18las/bla; S°: Internal calculation; Cp: 18las/bla; V°: 18las/bla; 1.000Cl- + 1.000Zn+2 = ZnCl+ -llnl_gamma 4.1 log_k 0.394 delta_h 14.732 #kJ/mol #14aki/tag -analytic 7.5385635E+2 1.2884929E-1 -4.1526201E+4 -2.7497535E+2 2.4720643E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 14aki/tag; S°: 14aki/tag; Cp: 14aki/tag; V°: 14aki/tag; 2.000Cl- + 1.000Zn+2 = ZnCl2 -llnl_gamma 3.4 log_k 0.470 delta_h 27.707 #kJ/mol #14aki/tag -analytic 1.6193931E+3 2.6158376E-1 -9.0926778E+4 -5.8736607E+2 5.4629569E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 14aki/tag; S°: 14aki/tag; Cp: 14aki/tag; V°: 14aki/tag; 3.000Cl- + 1.000Zn+2 = ZnCl3- -llnl_gamma 3.6 log_k 0.537 delta_h 24.494 #kJ/mol #14aki/tag -analytic 1.6459292E+3 2.7794257E-1 -9.198497E+4 -5.9935831E+2 5.6297735E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 14aki/tag; S°: 14aki/tag; Cp: 14aki/tag; V°: 14aki/tag; 4.000Cl- + 1.000Zn+2 = ZnCl4-2 -llnl_gamma 4.7 log_k -0.384 delta_h 28.134 #kJ/mol #14aki/tag -analytic 1.6394766E+3 2.7846195E-1 -9.329168E+4 -5.9646267E+2 5.8604073E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 14aki/tag; S°: 14aki/tag; Cp: 14aki/tag; V°: 14aki/tag; 1.000HCO3- + 1.000Zn+2 = ZnCO3 + 1.000H+ -llnl_gamma 3.4 log_k -5.577 #References = LogK/DGf: 13pow/bro; #References = LogK/DGf: 13pow/bro; V°: Default value; 1.000F- + 1.000Zn+2 = ZnF+ -llnl_gamma 4.1 log_k 1.199 delta_h 2.748 #kJ/mol #97sve/sho -analytic 8.9752406E+2 1.4254963E-1 -5.0259745E+4 -3.2528445E+2 3.0793283E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000H2AsO4- + 1.000Zn+2 = ZnH2AsO4+ -llnl_gamma 4.1 log_k 0.534 delta_h -5.671 #kJ/mol #Internal calculation -analytic 8.3966786E+2 1.3021327E-1 -4.7009052E+4 -3.0428858E+2 2.9028001E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000H2PO4- + 1.000Zn+2 = ZnH2PO4+ -llnl_gamma 4.1 log_k 1.593 #References = LogK/DGf: 73bnri; #References = LogK/DGf: 73bnri; V°: Default value; 1.000H2AsO4- + 1.000Zn+2 = ZnHAsO4 + 1.000H+ -llnl_gamma 3.4 log_k -3.937 delta_h 7.877 #kJ/mol #Internal calculation -analytic -4.3975167E+2 -5.7657192E-2 -2.1640529E+4 1.8509619E+2 6.0073694E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000HCO3- + 1.000Zn+2 = ZnHCO3+ -llnl_gamma 4.1 log_k 1.620 delta_h 3.560 #kJ/mol #13pow/bro -analytic 8.3907763E+3 1.2847431E+0 -4.5555549E+5 -3.0460668E+3 2.604861E+7 #References = LogK/DGf: 13pow/bro; DHf/DHr: 13pow/bro; S°: Internal calculation; Cp: 18las/bla; V°: 18las/bla; 1.000H2PO4- + 1.000Zn+2 = ZnHPO4 + 1.000H+ -llnl_gamma 3.4 log_k -3.912 #References = LogK/DGf: 73bnri; #References = LogK/DGf: 73bnri; V°: Default value; 1.000Zn+2 + 1.000H2O = ZnO + 2.000H+ -llnl_gamma 3.4 log_k -19.173 delta_h 137.231 #kJ/mol #14aki/tag -analytic 4.3906948E+2 5.5379885E-2 -3.0039744E+4 -1.5627088E+2 1.1273191E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 14aki/tag; S°: 14aki/tag; Cp: 14aki/tag; V°: 14aki/tag; 1.000Zn+2 + 2.000H2O = ZnO2-2 + 4.000H+ -llnl_gamma 4.7 log_k -40.518 delta_h 172.339 #kJ/mol #14aki/tag -analytic -9.3081286E+2 -1.5548536E-1 4.01997E+4 3.3714158E+2 -2.8812319E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 14aki/tag; S°: 14aki/tag; Cp: 14aki/tag; V°: 14aki/tag; 1.000Zn+2 + 1.000H2O = ZnOH+ + 1.000H+ -llnl_gamma 4.1 log_k -8.674 delta_h 46.781 #kJ/mol #14aki/tag -analytic 4.7637521E+1 1.6290474E-2 -3.8292893E+3 -1.9715903E+1 4.0942952E+4 #References = LogK/DGf: Internal calculation; DHf/DHr: 14aki/tag; S°: 14aki/tag; Cp: 14aki/tag; V°: 14aki/tag; 1.000H2PO4- + 1.000Zn+2 = ZnPO4- + 2.000H+ -llnl_gamma 3.6 log_k -11.514 #References = LogK/DGf: 79mat/spo; #References = LogK/DGf: 79mat/spo; V°: Default value; 1.000SO4-2 + 1.000Zn+2 = ZnSO4 -llnl_gamma 3.4 log_k 2.460 delta_h 14.000 #kJ/mol #18las/bla -analytic 1.740406E+3 2.7195031E-1 -9.6340376E+4 -6.3038264E+2 5.6838383E+6 #References = LogK/DGf: 18las/bla; DHf/DHr: 18las/bla; S°: Internal calculation; V°: Default value; 1.000ZrO+2 + 2.000H+ = Zr+4 + 1.000H2O -llnl_gamma 11.0 log_k 1.722 delta_h -59.949 #kJ/mol #97asho/sas -analytic -2.670101E+2 -4.3822917E-2 1.5170181E+4 9.5718067E+1 -5.272473E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000ZrO+2 + 1.000H2O = ZrO2 + 2.000H+ -llnl_gamma 3.4 log_k -7.975 delta_h 36.757 #kJ/mol #97asho/sas -analytic 4.2075385E+2 6.9561546E-2 -2.5545709E+4 -1.5373316E+2 1.476988E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000ZrO+2 + 1.000H+ = ZrOH+3 -llnl_gamma 8.2 log_k 2.052 delta_h -34.419 #kJ/mol #97asho/sas -analytic -4.2410379E+1 -8.4292173E-3 8.5853689E+2 1.6257324E+1 3.4390346E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; PHASES 2K2SO4.Fe2(SO4)3:14H2O K4Fe2(SO4)5:14H2O = 2.000Fe+3 + 4.000K+ + 5.000SO4-2 + 14.000H2O log_k -13.032 #References = LogK/DGf: 04chr; #References = LogK/DGf: 04chr; V°: Default value; 2KCl.FeCl3:H2O K2FeCl5:H2O = 5.000Cl- + 1.000Fe+3 + 2.000K+ + 1.000H2O log_k 5.631 #References = LogK/DGf: 04chr; #References = LogK/DGf: 04chr; V°: Default value; Acanthite(alpha) Ag2S + 1.000H+ = 2.000Ag+ + 1.000HS- log_k -36.070 delta_h 226.837 #kJ/mol #78hel/del -analytic -8.8668277E+2 -1.3249371E-1 3.7956106E+4 3.2176875E+2 -2.9677242E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Adamite Zn2AsO4(OH) + 3.000H+ = 1.000H2AsO4- + 2.000Zn+2 + 1.000H2O log_k 5.711 #References = LogK/DGf: 01gas/aza; #References = LogK/DGf: 01gas/aza; V°: 00bla/bid; Aegerine(alpha) NaFe(SiO3)2 + 4.000H+ + 2.000H2O = 1.000Fe+3 + 1.000Na+ + 2.000H4SiO4 log_k 0.921 delta_h -50.902 #kJ/mol #95rob/hem -analytic -1.3269183E+3 -1.7923949E-1 8.042349E+4 4.7137251E+2 -4.875199E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 78hel/del; Afwillite Ca3Si2O4(OH)6 + 6.000H+ = 3.000Ca+2 + 2.000H4SiO4 + 2.000H2O log_k 49.422 delta_h -264.562 #kJ/mol #10abla/bou -analytic -1.6142822E+3 -2.1834047E-1 1.0738813E+5 5.7888781E+2 -5.671339E+6 #References = LogK/DGf: 10abla/bou; DHf/DHr: 10abla/bou; S°: Internal calculation; Cp: 10abla/bou; V°: 52meg; Ag(element) Ag + 0.500O2 + 2.000H+ = 1.000Ag+2 + 1.000H2O log_k -4.136 delta_h -10.653 #kJ/mol #Internal calculation -analytic -4.0915782E+2 -6.3075772E-2 2.3013138E+4 1.4627168E+2 -1.3599563E+6 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Ag2O Ag2O + 2.000H+ = 2.000Ag+ + 1.000H2O log_k 12.570 delta_h -43.307 #kJ/mol #Internal calculation -analytic -2.8494996E+2 -3.3482379E-2 1.8828474E+4 1.0296307E+2 -9.2655701E+5 #References = LogK/DGf: 74nau/ryz; DHf/DHr: Internal calculation; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 74nau/ryz; Akermanite Ca2MgSi2O7 + 6.000H+ + 1.000H2O = 2.000Ca+2 + 1.000Mg+2 + 2.000H4SiO4 log_k 46.094 delta_h -308.213 #kJ/mol #Internal calculation -analytic -1.6695244E+3 -2.3351244E-1 1.1207999E+5 5.9635452E+2 -5.8952957E+6 #References = LogK/DGf: 78hel/del,92ajoh; DHf/DHr: Internal calculation; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh; Al(element) Al + 0.750O2 + 3.000H+ = 1.000Al+3 + 1.500H2O log_k 149.924 delta_h -958.045 #kJ/mol #By convention -analytic -6.2729914E+2 -1.0258284E-1 8.3655223E+4 2.2250662E+2 -2.0757715E+6 #References = S°: 89cox/wag; Cp: 98cha; V°: 95rob/hem; Alabandite MnS + 1.000H+ = 1.000Mn+2 + 1.000HS- log_k -0.003 delta_h -24.167 #kJ/mol #Internal calculation -analytic -9.5452833E+2 -1.5284462E-1 5.2895037E+4 3.4627314E+2 -3.0352852E+6 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Alamosite PbSiO3 + 2.000H+ + 1.000H2O = 1.000Pb+2 + 1.000H4SiO4 log_k 6.177 delta_h -27.117 #kJ/mol #98cha -analytic -6.464242E+2 -8.7125282E-2 4.0360344E+4 2.3091989E+2 -2.5057398E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 94pan; Albite(low) NaAlSi3O8 + 4.000H+ + 4.000H2O = 1.000Al+3 + 1.000Na+ + 3.000H4SiO4 log_k 3.007 delta_h -77.003 #kJ/mol #95rob/hem -analytic -1.6580418E+3 -2.197277E-1 1.0357481E+5 5.8663771E+2 -6.4383377E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; AlF3 AlF3 = 1.000Al+3 + 3.000F- log_k -17.324 delta_h -34.050 #kJ/mol #89cox/wag -analytic -2.5363674E+3 -4.1169047E-1 1.384551E+5 9.168972E+2 -8.1243361E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Almandine(alpha) Fe3Al2Si3O12 + 12.000H+ = 2.000Al+3 + 3.000Fe+2 + 3.000H4SiO4 log_k 42.180 delta_h -458.683 #kJ/mol #95rob/hem -analytic -3.0848427E+3 -4.4981168E-1 1.9672956E+5 1.0990475E+3 -1.0509115E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Alunite(K) KAl3(OH)6(SO4)2 + 6.000H+ = 3.000Al+3 + 1.000K+ + 2.000SO4-2 + 6.000H2O log_k -0.523 delta_h -230.738 #kJ/mol #Internal calculation -analytic -4.0636275E+3 -6.6562738E-1 2.2900483E+5 1.4699301E+3 -1.2780316E+7 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Alunite(Na) NaAl3(SO4)2(OH)6 + 6.000H+ = 3.000Al+3 + 1.000Na+ + 2.000SO4-2 + 6.000H2O log_k 2.340 delta_h -257.759 #kJ/mol #Internal calculation -analytic -4.3291826E+3 -7.0539753E-1 2.4414706E+5 1.5659468E+3 -1.3500184E+7 #References = LogK/DGf: 90sto/cyg; DHf/DHr: Internal calculation; S°: 90sto/cyg; Cp: 90sto/cyg; V°: Default value; Amesite Mg4Al2(Al2Si2)O10(OH)8 + 20.000H+ = 4.000Al+3 + 4.000Mg+2 + 2.000H4SiO4 + 10.000H2O log_k 69.410 delta_h -761.722 #kJ/mol #05vid/par -analytic -4.0615346E+3 -6.1544793E-1 2.5538153E+5 1.4531422E+3 -1.2251219E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 05vid/par; S°: 05vid/par; Cp: 05vid/par; V°: 05vid/par; Amesite(Fe) Fe4Al2(Al2Si2)O10(OH)8 + 20.000H+ = 4.000Al+3 + 4.000Fe+2 + 2.000H4SiO4 + 10.000H2O log_k 57.042 delta_h -682.162 #kJ/mol #05vid/par -analytic -3.9260763E+3 -6.0068024E-1 2.4387915E+5 1.4055208E+3 -1.1879079E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 05vid/par; S°: 05vid/par; Cp: 05vid/par; V°: 05vid/par; Amorphous_silica SiO2 + 2.000H2O = 1.000H4SiO4 log_k -2.697 delta_h 15.949 #kJ/mol #00gun/arn -analytic -3.5339604E+2 -4.0433695E-2 2.2631079E+4 1.2344453E+2 -1.6539534E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 00gun/arn; S°: 00gun/arn; Cp: 00gun/arn; V°: 78hel/del; Analcime Na0.99Al0.99Si2.01O6:H2O + 3.960H+ + 1.040H2O = 0.990Al+3 + 0.990Na+ + 2.010H4SiO4 log_k 6.654 delta_h -98.000 #kJ/mol #04neu/hov -analytic -1.3403358E+3 -1.8135021E-1 8.3684586E+4 4.7527556E+2 -4.9476886E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 04neu/hov; S°: 82joh/flo, 04neu/hov; Cp: 82joh/flo; V°: 97coo/alb; Andalusite Al2SiO5 + 6.000H+ = 2.000Al+3 + 1.000H4SiO4 + 1.000H2O log_k 16.206 delta_h -244.610 #kJ/mol #Internal calculation -analytic -1.339469E+3 -2.048042E-1 8.5279067E+4 4.7661954E+2 -4.3249835E+6 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Andradite Ca3Fe2Si3O12 + 12.000H+ = 3.000Ca+2 + 2.000Fe+3 + 3.000H4SiO4 log_k 33.787 delta_h -327.864 #kJ/mol #Internal calculation -analytic -2.9077837E+3 -4.2372897E-1 1.7981493E+5 1.040602E+3 -9.7870213E+6 #References = LogK/DGf: 78hel/del,92ajoh; DHf/DHr: Internal calculation; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh; Anglesite PbSO4 = 1.000Pb+2 + 1.000SO4-2 log_k -7.848 delta_h 11.550 #kJ/mol #89cox/wag -analytic -1.6531905E+3 -2.6395706E-1 9.1051907E+4 5.9877724E+2 -5.5987833E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 78hel/del; V°: 95rob/hem; Anhydrite CaSO4 = 1.000Ca+2 + 1.000SO4-2 log_k -4.436 delta_h -17.940 #kJ/mol #95rob/hem -analytic -1.6180709E+3 -2.6204311E-1 8.9584938E+4 5.866302E+2 -5.3589079E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Anilite Cu1.75S + 1.000H+ = 1.500Cu+ + 0.250Cu+2 + 1.000HS- log_k -31.220 delta_h 176.426 #kJ/mol #Internal calculation -analytic -8.8799094E+2 -1.3923697E-1 3.8770491E+4 3.2302098E+2 -2.7598554E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 95rob/hem; Cp: 00pui; V°: 95rob/hem; Annite KFe3(AlSi3)O10(OH)2 + 10.000H+ = 1.000Al+3 + 3.000Fe+2 + 1.000K+ + 3.000H4SiO4 log_k 32.771 delta_h -306.153 #kJ/mol #92cir/nav -analytic -2.6382558E+3 -3.7460641E-1 1.6621477E+5 9.4111433E+2 -9.2002058E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 92cir/nav; S°: 95dac/ben; Cp: 95dac/ben; V°: 78hel/del; Anorthite Ca(Al2Si2)O8 + 8.000H+ = 2.000Al+3 + 1.000Ca+2 + 2.000H4SiO4 log_k 24.235 delta_h -303.522 #kJ/mol #95rob/hem -analytic -1.9788284E+3 -2.9190197E-1 1.2612201E+5 7.0425974E+2 -6.7173266E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Antarcticite CaCl2:6H2O = 1.000Ca+2 + 2.000Cl- + 6.000H2O log_k 3.947 delta_h 13.990 #kJ/mol #87gar/par -analytic -1.6295682E+3 -2.3838587E-1 8.6900443E+4 5.9279239E+2 -4.7737295E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 87gar/par; S°: 87gar/par; V°: 63wyc; Anthophyllite Mg7Si8O22(OH)2 + 14.000H+ + 8.000H2O = 7.000Mg+2 + 8.000H4SiO4 log_k 73.783 delta_h -583.247 #kJ/mol #95rob/hem -analytic -5.2321622E+3 -7.0079895E-1 3.3845592E+5 1.8579984E+3 -1.9360477E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Antigorite Mg48Si34O85(OH)62 + 96.000H+ = 48.000Mg+2 + 34.000H4SiO4 + 11.000H2O log_k 500.080 delta_h -3743.421 #kJ/mol #98hol/pow -analytic -2.9383249E+4 -4.0195982E+0 1.8738549E+6 1.0481455E+4 -1.0123582E+8 #References = LogK/DGf: Internal calculation; DHf/DHr: 98hol/pow; S°: 98hol/pow; Cp: 98hol/pow; V°: 98hol/pow; Antlerite Cu3SO4(OH)4 + 4.000H+ = 3.000Cu+2 + 1.000SO4-2 + 4.000H2O log_k 8.912 delta_h -128.158 #kJ/mol #Internal calculation -analytic -2.3201815E+3 -3.6568954E-1 1.3242642E+5 8.3938238E+2 -7.3811544E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 90rob/cam; Aplowite CoSO4:H2O = 1.000Co+2 + 1.000SO4-2 + 1.000H2O log_k -1.049 delta_h -52.050 #kJ/mol #74nau/ryz -analytic -1.7188433E+3 -2.6476287E-1 9.6596288E+4 6.203035E+2 -5.5249789E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 74nau/ryz; V°: 94pan; Aragonite CaCO3 + 1.000H+ = 1.000HCO3- + 1.000Ca+2 log_k 2.014 delta_h -25.150 #kJ/mol #87gar/par -analytic -8.590273E+2 -1.3909045E-1 4.7686137E+4 3.1246802E+2 -2.721065E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 87gar/par; S°: 87gar/par; Cp: 87gar/par; V°: 78hel/del,82plu/bus; Arcanite K2(SO4) = 2.000K+ + 1.000SO4-2 log_k -1.849 delta_h 24.080 #kJ/mol #98cha -analytic -1.4895978E+3 -2.3691323E-1 8.2162114E+4 5.4168048E+2 -5.1150985E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 95rob/hem; Argutite(alpha) GeO2 + 2.000H2O = 1.000Ge(OH)4 log_k -5.024 delta_h 34.742 #kJ/mol #98pok/sch -analytic -1.4824527E+2 -1.9630913E-2 6.6761533E+3 5.3445441E+1 -4.9465477E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 98pok/sch; S°: 98pok/sch; Cp: 98pok/sch; V°: 98pok/sch; Argutite(beta) GeO2 + 2.000H2O = 1.000Ge(OH)4 log_k -1.975 #delta_h 0.000 #kJ/mol -analytic -1.4819636E+2 -1.909519E-2 7.9209063E+3 5.2947428E+1 -5.0374798E+5 #References = LogK/DGf: Internal calculation; Cp: 98pok/sch; V°: Default value; Arsenocrandallite CaAl3(AsO4)2(OH)5:H2O + 9.000H+ = 3.000Al+3 + 2.000H2AsO4- + 1.000Ca+2 + 6.000H2O log_k 10.146 #References = LogK/DGf: 93sch/got; #References = LogK/DGf: 93sch/got; V°: Default value; Arsenoflorencite(Ce) CeAl3(AsO4)2(OH)6 + 10.000H+ = 3.000Al+3 + 2.000H2AsO4- + 1.000Ce+3 + 6.000H2O log_k 9.351 #References = LogK/DGf: 93sch/got; #References = LogK/DGf: 93sch/got; V°: Default value; Arsenoflorencite(La) LaAl3(AsO4)2(OH)6 + 10.000H+ = 3.000Al+3 + 2.000H2AsO4- + 1.000La+3 + 6.000H2O log_k 9.628 #References = LogK/DGf: 93sch/got; #References = LogK/DGf: 93sch/got; V°: Default value; Arsenogorceixite BaAl3(AsO4)2(OH)5:H2O + 9.000H+ = 3.000Al+3 + 2.000H2AsO4- + 1.000Ba+2 + 6.000H2O log_k 7.115 #References = LogK/DGf: 93sch/got; #References = LogK/DGf: 93sch/got; V°: Default value; Arsenogoyazite SrAl3(AsO4)2(OH)5:H2O + 9.000H+ = 3.000Al+3 + 2.000H2AsO4- + 1.000Sr+2 + 6.000H2O log_k 9.933 #References = LogK/DGf: 93sch/got; #References = LogK/DGf: 93sch/got; V°: Default value; Arsenolite As2O3 + 3.000H2O = 2.000H2AsO3- + 2.000H+ log_k -19.864 delta_h 96.123 #kJ/mol #Internal calculation -analytic -4.9427978E+2 -9.1883532E-2 1.7334955E+4 1.8383582E+2 -9.9745764E+5 #References = LogK/DGf: 96pok/gou; DHf/DHr: Internal calculation; S°: 96pok/gou; Cp: 96pok/gou; V°: 96pok/gou; Arsenopyrite FeAsS + 1.000H+ + 1.500H2O = 1.000AsH3 + 1.000Fe+2 + 1.000HS- + 0.750O2 log_k -92.129 delta_h 525.884 #kJ/mol #Internal calculation -analytic -5.6913698E+2 -9.5561738E-2 5.3458889E+2 2.0987371E+2 -1.3877748E+6 #References = LogK/DGf: 08per/pok; DHf/DHr: Internal calculation; S°: 08per/pok; Cp: 08per/pok; V°: 08per/pok; Artinite Mg2(OH)2(CO3):3H2O + 3.000H+ = 1.000HCO3- + 2.000Mg+2 + 5.000H2O log_k 20.142 delta_h -132.468 #kJ/mol #73hem/rob -analytic -1.2920631E+3 -1.9865269E-1 7.5563611E+4 4.6912486E+2 -3.8070101E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 73hem/rob; S°: 72hem/rob; Cp: 78hel/del; V°: 78hel/del; As(element) As + 1.500H2O = 1.000AsH3 + 0.750O2 log_k -81.939 delta_h 487.814 #kJ/mol #Internal calculation -analytic 2.8384136E+2 4.472113E-2 -4.3128642E+4 -1.0058438E+2 1.2827157E+6 #References = S°: 73hul/des; Cp: 73hul/des; V°: 96pok/gou; As2O5 As2O5 + 3.000H2O = 2.000H2AsO4- + 2.000H+ log_k 2.238 delta_h -36.939 #kJ/mol #01gas/aza -analytic -1.0425421E+3 -1.7648403E-1 5.8968029E+4 3.7952389E+2 -3.5102109E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 01gas/aza; S°: 01gas/aza; Cp: 01gas/aza; V°: 84pan/stu; Atacamite Cu4Cl2(OH)6 + 6.000H+ = 2.000Cl- + 4.000Cu+2 + 6.000H2O log_k 14.926 delta_h -142.094 #kJ/mol #Internal calculation -analytic -2.5884643E+3 -4.0624673E-1 1.4553345E+5 9.3940336E+2 -7.8316144E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 90rob/cam; Au(element) Au + 0.750O2 + 3.000H+ = 1.000Au+3 + 1.500H2O log_k -11.446 delta_h -10.259 #kJ/mol #Internal calculation -analytic -6.2441652E+2 -9.8368017E-2 3.3850496E+4 2.2265417E+2 -1.9715639E+6 #References = S°: 95rob/hem; Cp: 78hel/del; V°: 78hel/del; Augelite Al2PO4(OH)3 + 5.000H+ = 2.000Al+3 + 1.000H2PO4- + 3.000H2O log_k 10.277 #References = LogK/DGf: 79vie/tar; #References = LogK/DGf: 79vie/tar; V°: 63wyc; Austinite CaZnAsO4(OH) + 3.000H+ = 1.000H2AsO4- + 1.000Ca+2 + 1.000Zn+2 + 1.000H2O log_k 6.881 #References = LogK/DGf: 01gas/aza; #References = LogK/DGf: 01gas/aza; V°: 00bla/bid; Azurite Cu3(OH)2(CO3)2 + 4.000H+ = 2.000HCO3- + 3.000Cu+2 + 2.000H2O log_k 3.750 delta_h -83.679 #kJ/mol #Internal calculation -analytic -2.1870066E+3 -3.4835539E-1 1.2025145E+5 7.9413505E+2 -6.5551758E+6 #References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 78hel/del; B(OH)3 B(OH)3 = 1.000B(OH)3 log_k -0.158 delta_h 22.474 #kJ/mol #89cox/wag -analytic -1.6282655E+2 -2.1070484E-2 8.2789957E+3 5.9514064E+1 -5.4057481E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; B2O3 B2O3 + 3.000H2O = 2.000B(OH)3 log_k 5.565 delta_h -13.662 #kJ/mol #89cox/wag -analytic -2.7605646E+2 -3.5653136E-2 1.7965697E+4 9.8924339E+1 -1.1367477E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Ba3(AsO4)2 Ba3(AsO4)2 + 4.000H+ = 2.000H2AsO4- + 3.000Ba+2 log_k 15.320 #References = LogK/DGf: 01gas/aza; #References = LogK/DGf: 01gas/aza; V°: Default value; BaHAsO4:H2O BaHAsO4:H2O + 1.000H+ = 1.000H2AsO4- + 1.000Ba+2 + 1.000H2O log_k -6.039 #References = LogK/DGf: 01gas/aza; #References = LogK/DGf: 01gas/aza; V°: Default value; BaHPO4 BaHPO4 + 1.000H+ = 1.000Ba+2 + 1.000H2PO4- log_k -7.410 delta_h -25.577 #kJ/mol #71par/wag -analytic -9.1213779E+2 -1.4085955E-1 5.0075968E+4 3.2749001E+2 -2.8075415E+6 #References = LogK/DGf: 66spi/mik; DHf/DHr: 71par/wag; S°: Internal calculation; V°: Default value; Barite BaSO4 = 1.000Ba+2 + 1.000SO4-2 log_k -10.051 delta_h 26.335 #kJ/mol #Internal calculation -analytic -1.5795404E+3 -2.5599158E-1 8.5700701E+4 5.7308569E+2 -5.3061519E+6 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Bassanite CaSO4:0.5H2O = 1.000Ca+2 + 1.000SO4-2 + 0.500H2O log_k -3.919 delta_h -17.357 #kJ/mol #Internal calculation -analytic -1.5834316E+3 -2.5347761E-1 8.8114917E+4 5.7346485E+2 -5.2850565E+6 #References = LogK/DGf: 06bla/las; DHf/DHr: Internal calculation; S°: CODATA87; Cp: 06bla/pia; V°: 93bar; Beidellite(Ca) Ca0.17Al2.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 2.340Al+3 + 0.170Ca+2 + 3.660H4SiO4 log_k 5.788 delta_h -199.096 #kJ/mol #15bla/vie -analytic -2.4532307E+3 -3.3777719E-1 1.5377736E+5 8.6747751E+2 -9.1169893E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Beidellite(K) K0.34Al2.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 2.340Al+3 + 0.340K+ + 3.660H4SiO4 log_k 4.620 delta_h -180.563 #kJ/mol #15bla/vie -analytic -2.4366989E+3 -3.3467927E-1 1.5217638E+5 8.619875E+2 -9.0876414E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Beidellite(Mg) Mg0.17Al2.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 2.340Al+3 + 0.170Mg+2 + 3.660H4SiO4 log_k 5.243 delta_h -200.276 #kJ/mol #15bla/vie -analytic -2.4698191E+3 -3.397414E-1 1.5473238E+5 8.731313E+2 -9.1671514E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Beidellite(Na) Na0.34Al2.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 2.340Al+3 + 0.340Na+ + 3.660H4SiO4 log_k 5.117 delta_h -189.181 #kJ/mol #15bla/vie -analytic -2.4563509E+3 -3.3672371E-1 1.5363066E+5 8.6862698E+2 -9.1362932E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; BeidelliteSBId Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 + 7.704H+ + 2.296H2O = 2.238Al+3 + 0.185Ca+2 + 0.112Fe+3 + 0.104K+ + 0.090Mg+2 + 3.574H4SiO4 log_k 7.597 delta_h -216.148 #kJ/mol #12gai/bla -analytic -2.4917268E+3 -3.5177889E-1 1.5494595E+5 8.8349303E+2 -9.0342882E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 12gai/bla; S°: 12gai/bla; Cp: 12gai/bla; V°: 12gai/bla; Berlinite AlPO4 + 2.000H+ = 1.000Al+3 + 1.000H2PO4- log_k 1.207 delta_h -107.151 #kJ/mol #Internal calculation -analytic -1.0573736E+3 -1.7484841E-1 6.1600673E+4 3.8046565E+2 -3.3188334E+6 #References = LogK/DGf: 82wag/eva; DHf/DHr: Internal calculation; S°: 68wag/eva; Cp: 74nau/ryz, 76wag/eva, 71par/wag; V°: 95rob/hem; Berndtite SnS2 + 0.750H2O = 1.500HS- + 1.000Sn+2 + 0.250S2O3-2 log_k -32.151 delta_h 171.770 #kJ/mol #Internal calculation -analytic -1.5673577E+3 -2.5297031E-1 7.7602812E+4 5.6962368E+2 -5.2578723E+6 #References = LogK/DGf: 85jac/hel; DHf/DHr: Internal calculation; S°: 85jac/hel; Cp: 85jac/hel; V°: 85jac/hel; BerthierineISGS (Si1.332Al0.668)(Al0.976Fe1.622Mg0.157)O5(OH)4 + 8.672H+ = 1.644Al+3 + 1.440Fe+2 + 0.157Mg+2 + 1.332H4SiO4 + 0.182Fe+3 + 3.672H2O log_k 28.891 delta_h -320.787 #kJ/mol #14bla/gai -analytic -1.9377506E+3 -2.8270535E-1 1.2290255E+5 6.9063516E+2 -6.241976E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 14bla/gai; S°: 14bla/gai; Cp: 14bla/gai; V°: 14bla/gai; Berthierine(FeII) (Fe2Al)(SiAl)O5(OH)4 + 10.000H+ = 2.000Al+3 + 2.000Fe+2 + 1.000H4SiO4 + 5.000H2O log_k 33.710 delta_h -369.411 #kJ/mol #15bla/vie -analytic -1.973861E+3 -2.9595392E-1 1.2535721E+5 7.0492903E+2 -6.1284403E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Berthierine(FeIII) (Fe2.67Al0.33)(Si1.34Al0.66)O5(OH)4 + 8.640H+ = 0.990Al+3 + 2.340Fe+2 + 1.340H4SiO4 + 0.330Fe+3 + 3.640H2O log_k 28.921 delta_h -297.641 #kJ/mol #15bla/vie -analytic -1.9010637E+3 -2.7605598E-1 1.2010468E+5 6.7840745E+2 -6.1529544E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Berthierite FeSb2S4 + 6.000H2O = 1.000Fe+2 + 4.000HS- + 2.000Sb(OH)3 + 2.000H+ log_k -61.058 delta_h 307.851 #kJ/mol #Internal calculation -analytic -2.7120828E+3 -4.5157008E-1 1.2837625E+5 9.8993258E+2 -8.3950548E+6 #References = LogK/DGf: 92sea/rob; DHf/DHr: Internal calculation; S°: 92sea/rob; Cp: 92sea/rob; V°: 92sea/rob; Beudantite PbFe3(AsO4)2(OH)5:H2O + 9.000H+ = 2.000H2AsO4- + 3.000Fe+3 + 1.000Pb+2 + 6.000H2O log_k -9.342 #References = LogK/DGf: 04gab/vie; #References = LogK/DGf: 04gab/vie; V°: Default value; Bieberite CoSO4:7H2O = 1.000Co+2 + 1.000SO4-2 + 7.000H2O log_k -2.345 delta_h 11.840 #kJ/mol #74nau/ryz -analytic -1.6645723E+3 -2.5502938E-1 9.0786352E+4 6.0374082E+2 -5.347068E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 94pan; Bilinite Fe3(SO4)4:22H2O = 2.000Fe+3 + 4.000SO4-2 + 1.000Fe+2 + 22.000H2O log_k -16.343 delta_h 7.380 #kJ/mol #02hem/sea -analytic -7.1379563E+3 -1.0362887E+0 3.8586546E+5 2.5778164E+3 -2.1534911E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 69bol/ptu; Bischofite MgCl2:6H2O = 2.000Cl- + 1.000Mg+2 + 6.000H2O log_k 4.466 delta_h -8.710 #kJ/mol #74nau/ryz -analytic -1.6137748E+3 -2.4625715E-1 8.8110778E+4 5.8693541E+2 -4.9954494E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: 74nau/ryz; S°: Internal calculation; Cp: 74nau/ryz; V°: 63wyc; Bloedite Na2Mg(SO4)2:4H2O = 1.000Mg+2 + 2.000Na+ + 2.000SO4-2 + 4.000H2O log_k -2.346 #References = LogK/DGf: 84har/mol; #References = LogK/DGf: 84har/mol; V°: 63wyc; Bobbierite Mg3(PO4)2:8H2O + 4.000H+ = 3.000Mg+2 + 2.000H2PO4- + 8.000H2O log_k 13.928 #References = LogK/DGf: 63tay/fra, 96bou; #References = LogK/DGf: 63tay/fra, 96bou; V°: 84nri; Boehmite AlO(OH) + 3.000H+ = 1.000Al+3 + 2.000H2O log_k 7.625 delta_h -113.660 #kJ/mol #95rob/hem -analytic -4.7846065E+2 -7.8925715E-2 2.9738634E+4 1.7148206E+2 -1.2842726E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Bornite(alpha) Cu5FeS4 + 4.000H+ = 4.000Cu+ + 1.000Cu+2 + 1.000Fe+2 + 4.000HS- log_k -107.495 delta_h 563.866 #kJ/mol #95rob/hem -analytic -3.6594623E+3 -5.7956556E-1 1.6798484E+5 1.3295872E+3 -1.1434856E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 78hel/del,70pan/kin; V°: 95rob/hem; Brochantite Cu4SO4(OH)6 + 6.000H+ = 4.000Cu+2 + 1.000SO4-2 + 6.000H2O log_k 15.543 delta_h -175.083 #kJ/mol #Internal calculation -analytic -2.7209001E+3 -4.2572542E-1 1.5456015E+5 9.8537993E+2 -8.2921862E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 95rob/hem; V°: 95rob/hem; Bromellite BeO + 2.000H+ = 1.000Be+2 + 1.000H2O log_k 6.292 delta_h -59.205 #kJ/mol #89cox/wag -analytic -3.4398439E+2 -5.3311223E-2 2.063174E+4 1.2421191E+2 -9.2288712E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Brucite Mg(OH)2 + 2.000H+ = 1.000Mg+2 + 2.000H2O log_k 17.112 delta_h -114.518 #kJ/mol #08bla -analytic -3.5641635E+2 -5.3167189E-2 2.4317829E+4 1.2873122E+2 -9.5286882E+5 #References = LogK/DGf: 08bla; DHf/DHr: 08bla; S°: Internal calculation; Cp: 95rob/hem; V°: 95rob/hem; Brushite CaHPO4:2H2O + 1.000H+ = 1.000Ca+2 + 1.000H2PO4- + 2.000H2O log_k 0.602 delta_h -7.375 #kJ/mol #Internal calculation -analytic -9.002507E+2 -1.5102401E-1 4.7493595E+4 3.299399E+2 -2.6515612E+6 #References = LogK/DGf: 84nan; DHf/DHr: Internal calculation; S°: 84nan; Cp: 70gre/mor, after 64aega/wak and bega/wak; V°: 84nri; Bunsenite NiO + 2.000H+ = 1.000Ni+2 + 1.000H2O log_k 12.505 delta_h -106.030 #kJ/mol #90hem -analytic -3.4458754E+2 -5.4041547E-2 2.3408881E+4 1.2361235E+2 -9.9378264E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 90hem; S°: 90hem; Cp: 95rob/hem; V°: 78hel/del; Burkeite Na6CO3(SO4)2 + 1.000H+ = 1.000HCO3- + 6.000Na+ + 2.000SO4-2 log_k -0.770 #References = LogK/DGf: 84har/mol; #References = LogK/DGf: 84har/mol; V°: 63wyc; C(element) C + 1.000O2 + 1.000H2O = 1.000HCO3- + 1.000H+ log_k 64.163 delta_h -391.966 #kJ/mol #By convention -analytic -7.4217625E+2 -1.2227979E-1 6.2957072E+4 2.6790665E+2 -2.7805115E+6 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; C0.7SH Ca1.4Si2O5.9496H1.0992:1.378H2O + 2.800H+ + 0.6724H2O = 1.400Ca+2 + 2.000H4SiO4 log_k 17.796 delta_h -99.315 #kJ/mol #Internal calculation -analytic -1.0799065E+3 -1.389491E-1 7.0714511E+4 3.8364667E+2 -4.2096302E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C0.8SH Ca1.6Si2O6.1698H1.1396:1.6122H2O + 3.200H+ + 0.218H2O = 1.600Ca+2 + 2.000H4SiO4 log_k 21.184 delta_h -118.525 #kJ/mol #Internal calculation -analytic -1.1396811E+3 -1.4803607E-1 7.4806082E+4 4.0544805E+2 -4.369437E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C0.9SH Ca1.8Si2O6.4048H1.2096:1.7014H2O + 3.600H+ = 1.800Ca+2 + 2.000H4SiO4 + 0.1062H2O log_k 25.247 delta_h -142.264 #kJ/mol #Internal calculation -analytic -1.1870726E+3 -1.5556596E-1 7.8435929E+4 4.2278161E+2 -4.4908616E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C1SH Ca2Si2O6.6436H1.2872:1.7542H2O + 4.000H+ = 2.000Ca+2 + 2.000H4SiO4 + 0.3978H2O log_k 29.474 delta_h -167.108 #kJ/mol #Internal calculation -analytic -1.2759222E+3 -1.687102E-1 8.4531036E+4 4.5493777E+2 -4.7589472E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C1.1SH Ca2.2Si2O6.8821H1.3642:1.867H2O + 4.400H+ = 2.200Ca+2 + 2.000H4SiO4 + 0.7491H2O log_k 33.758 delta_h -191.888 #kJ/mol #Internal calculation -analytic -1.3444716E+3 -1.7902986E-1 8.9443229E+4 4.7984377E+2 -4.9539663E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C1.2SH Ca2.4Si2O7.1203H1.4406:2.0692H2O + 4.800H+ = 2.400Ca+2 + 2.000H4SiO4 + 1.1895H2O log_k 38.095 delta_h -216.390 #kJ/mol #Internal calculation -analytic -1.4129647E+3 -1.892025E-1 9.4334986E+4 5.0474601E+2 -5.146218E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C1.3SH Ca2.6Si2O7.3957H1.5914:2.1702H2O + 5.200H+ = 2.600Ca+2 + 2.000H4SiO4 + 1.5659H2O log_k 42.473 delta_h -241.097 #kJ/mol #Internal calculation -analytic -1.4826299E+3 -1.9955627E-1 9.9299385E+4 5.300773E+2 -5.3418257E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C1.4SH Ca2.8Si2O7.687H1.774:2.2274H2O + 5.600H+ = 2.800Ca+2 + 2.000H4SiO4 + 1.9144H2O log_k 46.935 delta_h -266.266 #kJ/mol #Internal calculation -analytic -1.5527962E+3 -2.0998834E-1 1.0431442E+5 5.5559198E+2 -5.5388847E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C1.5SH Ca3Si2O7.9783H1.9566:2.2848H2O + 6.000H+ = 3.000Ca+2 + 2.000H4SiO4 + 2.2631H2O log_k 51.442 delta_h -291.690 #kJ/mol #Internal calculation -analytic -1.6002727E+3 -2.1736724E-1 1.0802648E+5 5.7299087E+2 -5.656187E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C1.6SH Ca3.2Si2O8.2682H2.1364:2.3446H2O + 6.400H+ = 3.200Ca+2 + 2.000H4SiO4 + 2.6128H2O log_k 55.989 delta_h -317.358 #kJ/mol #Internal calculation -analytic -1.6460458E+3 -2.2451827E-1 1.1165267E+5 5.8977983E+2 -5.7675717E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C0.7A0.01SH Ca1.4Al0.04Si2O6.0128H1.1056:1.4156H2O + 2.920H+ + 0.5716H2O = 0.040Al+3 + 1.400Ca+2 + 2.000H4SiO4 log_k 17.949 delta_h -103.921 #kJ/mol #Internal calculation -analytic -1.0965647E+3 -1.4190979E-1 7.1801805E+4 3.8955699E+2 -4.2609978E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C0.8A0.01SH Ca1.6Al0.04Si2O6.2343H1.1486:1.63H2O + 3.320H+ + 0.1357H2O = 0.040Al+3 + 1.600Ca+2 + 2.000H4SiO4 log_k 21.541 delta_h -124.405 #kJ/mol #Internal calculation -analytic -1.1563628E+3 -1.5102639E-1 7.5961503E+4 4.113641E+2 -4.4213297E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C1.1A0.01SH Ca2.2Al0.04Si2O6.9455H1.371:1.885H2O + 4.520H+ = 0.040Al+3 + 2.200Ca+2 + 2.000H4SiO4 + 0.8305H2O log_k 34.217 delta_h -198.369 #kJ/mol #Internal calculation -analytic -1.3619414E+3 -1.8212281E-1 9.0678169E+4 4.8603839E+2 -5.0089959E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C1.2A0.01SH Ca2.4Al0.04Si2O7.1845H1.449:2.0794H2O + 4.920H+ = 0.040Al+3 + 2.400Ca+2 + 2.000H4SiO4 + 1.2639H2O log_k 38.539 delta_h -222.821 #kJ/mol #Internal calculation -analytic -1.4304627E+3 -1.9230858E-1 9.5568963E+4 5.1094988E+2 -5.2014938E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C1.3A0.01SH Ca2.6Al0.04Si2O7.4606H1.6012:2.1732H2O + 5.320H+ = 0.040Al+3 + 2.600Ca+2 + 2.000H4SiO4 + 1.6338H2O log_k 42.904 delta_h -247.485 #kJ/mol #Internal calculation -analytic -1.5001527E+3 -2.0267446E-1 1.0053261E+5 5.3628926E+2 -5.3973284E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C1.4A0.01SH Ca2.8Al0.04Si2O7.7502H1.7804:2.2294H2O + 5.720H+ = 0.040Al+3 + 2.800Ca+2 + 2.000H4SiO4 + 1.9796H2O log_k 47.302 delta_h -272.330 #kJ/mol #Internal calculation -analytic -1.5698685E+3 -2.1305369E-1 1.0550505E+5 5.6164131E+2 -5.5930024E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C1.5A0.01SH Ca3Al0.04Si2O8.0399H1.9598:2.2858H2O + 6.120H+ = 0.040Al+3 + 3.000Ca+2 + 2.000H4SiO4 + 2.3257H2O log_k 51.724 delta_h -297.311 #kJ/mol #Internal calculation -analytic -1.6156273E+3 -2.2020888E-1 1.0909469E+5 5.7842436E+2 -5.7044556E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C1.6A0.01SH Ca3.2Al0.04Si2O8.3296H2.1392:2.3446H2O + 6.520H+ = 0.040Al+3 + 3.200Ca+2 + 2.000H4SiO4 + 2.6742H2O log_k 56.220 delta_h -322.694 #kJ/mol #Internal calculation -analytic -1.661392E+3 -2.2736109E-1 1.1270564E+5 5.9521001E+2 -5.8158601E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C0.7A0.025SH Ca1.4Al0.1Si2O6.1077H1.1154:1.5092H2O + 3.100H+ + 0.3831H2O = 0.100Al+3 + 1.400Ca+2 + 2.000H4SiO4 log_k 18.203 delta_h -110.731 #kJ/mol #Internal calculation -analytic -1.121563E+3 -1.462932E-1 7.3427015E+4 3.9843325E+2 -4.3370047E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C0.8A0.025SH Ca1.6Al0.1Si2O6.331H1.162:1.6746H2O + 3.500H+ = 0.100Al+3 + 1.600Ca+2 + 2.000H4SiO4 + 0.0056H2O log_k 22.108 delta_h -133.284 #kJ/mol #Internal calculation -analytic -1.1793458E+3 -1.5519884E-1 7.7582015E+4 4.1950822E+2 -4.4918796E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C0.7A0.05SH Ca1.4Al0.2Si2O6.2658H1.1316:1.6968H2O + 3.400H+ + 0.0374H2O = 0.200Al+3 + 1.400Ca+2 + 2.000H4SiO4 log_k 19.290 delta_h -125.656 #kJ/mol #Internal calculation -analytic -1.1632315E+3 -1.5354988E-1 7.6321758E+4 4.1323449E+2 -4.4627952E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C0.8A0.05SH Ca1.6Al0.2Si2O6.4921H1.1842:1.7636H2O + 3.800H+ = 0.200Al+3 + 1.600Ca+2 + 2.000H4SiO4 + 0.2557H2O log_k 23.173 delta_h -148.678 #kJ/mol #Internal calculation -analytic -1.217671E+3 -1.621328E-1 8.0314689E+4 4.3309156E+2 -4.609113E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; C2AH8 Ca2Al2O5:8H2O + 10.000H+ = 2.000Al+3 + 2.000Ca+2 + 13.000H2O log_k 59.723 delta_h -436.130 #kJ/mol #06bla/las -analytic -1.7346637E+3 -2.3804512E-1 1.1041064E+5 6.232244E+2 -4.1857412E+6 #References = LogK/DGf: 06bla/las; DHf/DHr: 06bla/las; S°: Internal calculation; V°: 92wol; C2SHa Ca2(HSiO4)(OH) + 4.000H+ = 2.000Ca+2 + 1.000H4SiO4 + 1.000H2O log_k 35.545 delta_h -195.771 #kJ/mol #10abla/bou -analytic -9.2430752E+2 -1.2731736E-1 6.2844135E+4 3.3224777E+2 -3.1195834E+6 #References = LogK/DGf: 10abla/bou; DHf/DHr: 10abla/bou; S°: Internal calculation; Cp: 10abla/bou; V°: 10abla/bou; C3AH6 Ca3Al2(OH)12 + 12.000H+ = 2.000Al+3 + 3.000Ca+2 + 12.000H2O log_k 80.332 delta_h -584.260 #kJ/mol #99sch/nav -analytic -1.7858029E+3 -2.8803505E-1 1.1970595E+5 6.4758061E+2 -4.6117004E+6 #References = LogK/DGf: 10bbla/bou; DHf/DHr: 99sch/nav; S°: Internal calculation; Cp: 79ede/sat; V°: 92wol; C3FH6 Ca3Fe2(OH)12 + 12.000H+ = 3.000Ca+2 + 2.000Fe+3 + 12.000H2O log_k 72.382 delta_h -509.370 #kJ/mol #85bab/mat -analytic -1.9413488E+3 -3.0335333E-1 1.2528639E+5 7.0390811E+2 -5.1390961E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 85bab/mat; S°: 10bbla/bou; Cp: 10bbla/bou; V°: 97tay; C4AH13 Ca4Al2O7:13H2O + 14.000H+ = 2.000Al+3 + 4.000Ca+2 + 20.000H2O log_k 103.670 delta_h -647.400 #kJ/mol #76hou/ste -analytic -2.1674746E+3 -3.2685802E-1 1.4528384E+5 7.8649867E+2 -5.7626461E+6 #References = LogK/DGf: 10bbla/bou; DHf/DHr: 76hou/ste; S°: Internal calculation; Cp: 10bbla/bou; V°: 92wol; C4FH13 Ca4Fe2O7:13H2O + 14.000H+ = 4.000Ca+2 + 2.000Fe+3 + 20.000H2O log_k 95.142 delta_h -569.205 #kJ/mol #85bab/mat -analytic -2.2790678E+3 -3.4978791E-1 1.4486256E+5 8.3140351E+2 -5.744869E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 85bab/mat; S°: 10bbla/bou; Cp: 85bab/mat; V°: 97tay; Ca(element) Ca + 0.500O2 + 2.000H+ = 1.000Ca+2 + 1.000H2O log_k 139.842 delta_h -822.763 #kJ/mol #89cox/wag -analytic -3.6438219E+2 -5.800883E-2 6.2982687E+4 1.3095262E+2 -1.2230594E+6 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Ca3(AsO4)2:3.66H2O Ca3(AsO4)2:3.66H2O + 4.000H+ = 2.000H2AsO4- + 3.000Ca+2 + 3.660H2O log_k 16.774 #References = LogK/DGf: 99bot/bro; #References = LogK/DGf: 99bot/bro; V°: Default value; Ca4(OH)2(AsO4)2:4H2O Ca4(OH)2(AsO4)2:4H2O + 6.000H+ = 2.000H2AsO4- + 4.000Ca+2 + 6.000H2O log_k 37.096 #References = LogK/DGf: 99bot/bro; #References = LogK/DGf: 99bot/bro; V°: Default value; Ca4H(PO4)3:2.5H2O Ca4H(PO4)3:2.5H2O + 5.000H+ = 4.000Ca+2 + 3.000H2PO4- + 2.500H2O log_k 11.813 #References = LogK/DGf: 84nan; #References = LogK/DGf: 84nan; V°: Default value; Ca4H(PO4)3:3H2O Ca4H(PO4)3:3H2O + 5.000H+ = 4.000Ca+2 + 3.000H2PO4- + 3.000H2O log_k 10.118 #References = LogK/DGf: NIST46.4; #References = LogK/DGf: NIST46.4; V°: Default value; Ca5(AsO4)3OH Ca5(AsO4)3OH + 7.000H+ = 3.000H2AsO4- + 5.000Ca+2 + 1.000H2O log_k 31.611 #References = LogK/DGf: 99bot/bro; #References = LogK/DGf: 99bot/bro; V°: Default value; CaAlH(PO4)2:6H2O CaAlH(PO4)2:6H2O + 3.000H+ = 1.000Al+3 + 1.000Ca+2 + 2.000H2PO4- + 6.000H2O log_k -14.304 #References = LogK/DGf: 64atay/gur; #References = LogK/DGf: 64atay/gur; V°: Default value; CaCl2:2H2O CaCl2:2H2O = 1.000Ca+2 + 2.000Cl- + 2.000H2O log_k 7.952 delta_h -44.790 #kJ/mol #87gar/par -analytic -1.555851E+3 -2.4235408E-1 8.6627587E+4 5.6580889E+2 -4.848861E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 87gar/par; S°: 87gar/par; V°: 63wyc; CaCl2:4H2O CaCl2:4H2O = 1.000Ca+2 + 2.000Cl- + 4.000H2O log_k 5.359 delta_h -11.310 #kJ/mol #87gar/par -analytic -1.6007547E+3 -2.4169682E-1 8.6973605E+4 5.8229303E+2 -4.8341793E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 87gar/par; S°: 87gar/par; V°: 03dea; CaCl2:H2O CaCl2:H2O = 1.000Ca+2 + 2.000Cl- + 1.000H2O log_k 7.849 delta_h -52.160 #kJ/mol #87gar/par -analytic -1.5551146E+3 -2.462483E-1 8.7102469E+4 5.6560817E+2 -4.9176973E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 87gar/par; S°: 87gar/par; V°: 03dea; CaCrO4(s) CaCrO4 = 1.000Ca+2 + 1.000CrO4-2 log_k -3.150 delta_h -22.807 #kJ/mol #Internal calculation -analytic -1.6003839E+3 -2.5327245E-1 8.8679287E+4 5.7948408E+2 -5.2073984E+6 #References = LogK/DGf: 04wan/li; DHf/DHr: Internal calculation; S°: 03dea; V°: 90rob/cam; CaHAsO3 CaHAsO3 + 1.000H+ = 1.000H2AsO3- + 1.000Ca+2 log_k 34.250 #References = LogK/DGf: 01gas/aza; #References = LogK/DGf: 01gas/aza; V°: Default value; CaHAsO4:H2O CaHAsO4:H2O + 1.000H+ = 1.000H2AsO4- + 1.000Ca+2 + 1.000H2O log_k 2.021 #References = LogK/DGf: 99bot/bro; #References = LogK/DGf: 99bot/bro; V°: Default value; Calcite CaCO3 + 1.000H+ = 1.000HCO3- + 1.000Ca+2 log_k 1.847 delta_h -25.325 #kJ/mol #Internal calculation -analytic -8.5009769E+2 -1.3947083E-1 4.6880816E+4 3.0964755E+2 -2.6591399E+6 #References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 82plu/bus; Cp: 95rob/hem; V°: 78hel/del,82plu/bus; Calomel Hg2Cl2 = 2.000Cl- + 1.000Hg2+2 log_k -17.844 delta_h 98.080 #kJ/mol #89cox/wag -analytic -1.4752305E+3 -2.4016648E-1 7.5071959E+4 5.377565E+2 -4.7508137E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 85cha/dav; V°: 95rob/hem; Carbonate(K) K2CO3:1.5H2O + 1.000H+ = 1.000HCO3- + 2.000K+ + 1.500H2O log_k 13.359 delta_h -15.889 #kJ/mol #Internal calculation -analytic -8.4310854E+2 -1.2193778E-1 4.6997675E+4 3.0865172E+2 -2.5376147E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value; Carnallite KMgCl3:6H2O = 3.000Cl- + 1.000K+ + 1.000Mg+2 + 6.000H2O log_k 4.336 delta_h 9.340 #kJ/mol #74nau/ryz -analytic -2.4013581E+3 -3.5694639E-1 1.2977001E+5 8.7250899E+2 -7.2981156E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: 74nau/ryz; S°: Internal calculation; V°: 63wyc; Cassiterite SnO2 + 2.000H+ = 1.000Sn+2 + 0.500O2 + 1.000H2O log_k -45.456 delta_h 276.957 #kJ/mol #89cox/wag -analytic -1.9555862E+2 -3.0314741E-2 -4.8823113E+3 7.2858703E+1 -4.2383267E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Cattierite CoS2 + 0.750H2O = 1.000Co+2 + 1.500HS- + 0.250S2O3-2 log_k -27.183 delta_h 120.151 #kJ/mol #95rob/hem -analytic -1.5956797E+3 -2.5849685E-1 8.0777162E+4 5.7925091E+2 -5.2161779E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 87pan/mah; V°: 95rob/hem; Cd(element) Cd + 0.500O2 + 2.000H+ = 1.000Cd+2 + 1.000H2O log_k 56.614 delta_h -355.683 #kJ/mol #By convention -analytic -3.971198E+2 -6.0896205E-2 4.039564E+4 1.4194817E+2 -1.31913E+6 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Cd(OH)2 Cd(OH)2 + 2.000H+ = 1.000Cd+2 + 2.000H2O log_k 13.862 delta_h -87.730 #kJ/mol #Internal calculation -analytic -3.0555379E+2 -4.5670879E-2 2.0230697E+4 1.1079785E+2 -7.9857844E+5 #References = LogK/DGf: 91rai/fel; DHf/DHr: Internal calculation; S°: 82wag/eva; Cp: 99yun/glu; V°: 01mer/vie; Cd3(PO4)2 Cd3(PO4)2 + 4.000H+ = 3.000Cd+2 + 2.000H2PO4- log_k 8.970 delta_h -206.960 #kJ/mol #01ben/jem -analytic -2.2188201E+3 -3.4072542E-1 1.2852108E+5 7.974586E+2 -6.6619766E+6 #References = LogK/DGf: 82wag/eva; DHf/DHr: 01ben/jem; S°: Internal calculation; V°: Default value; Cd5(PO4)3Cl Cd5(PO4)3Cl + 6.000H+ = 5.000Cd+2 + 1.000Cl- + 3.000H2PO4- log_k 12.673 #References = LogK/DGf: 84vie/tar; #References = LogK/DGf: 84vie/tar; V°: Default value; Cd5(PO4)3OH Cd5(PO4)3OH + 7.000H+ = 5.000Cd+2 + 3.000H2PO4- + 1.000H2O log_k 19.843 #References = LogK/DGf: 84vie/tar; #References = LogK/DGf: 84vie/tar; V°: Default value; CdCl2 CdCl2 = 1.000Cd+2 + 2.000Cl- log_k -0.656 delta_h -18.580 #kJ/mol #82wag/eva -analytic -1.5398285E+3 -2.5000429E-1 8.4903052E+4 5.5985763E+2 -5.012328E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 84pan; CdCl2:2.5H2O CdCl2:2.5H2O = 1.000Cd+2 + 2.000Cl- + 2.500H2O log_k -1.897 delta_h 7.285 #kJ/mol #82wag/eva -analytic -1.5982554E+3 -2.4479563E-1 8.6152936E+4 5.8030142E+2 -4.936406E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; V°: 01mer/vie; CdCl2:H2O CdCl2:H2O = 1.000Cd+2 + 2.000Cl- + 1.000H2O log_k -1.691 delta_h -7.470 #kJ/mol #82wag/eva -analytic -1.5752675E+3 -2.470366E-1 8.5910114E+4 5.7188057E+2 -4.9775653E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; V°: 01mer/vie; CdSiO3 CdSiO3 + 2.000H+ + 1.000H2O = 1.000Cd+2 + 1.000H4SiO4 log_k 7.793 delta_h -59.861 #kJ/mol #77bar/kna -analytic -6.9406813E+2 -9.3870006E-2 4.3858156E+4 2.4709479E+2 -2.5487506E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 77bar/kna; S°: 77bar/kna; Cp: 77bar/kna; V°: Default value; CdSO4 CdSO4 = 1.000Cd+2 + 1.000SO4-2 log_k -0.157 delta_h -51.980 #kJ/mol #82wag/eva -analytic -1.6519282E+3 -2.6396402E-1 9.341426E+4 5.9762565E+2 -5.4781603E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; Cp: 74nau/ryz; V°: 94pan; CdSO4:8/3H2O CdSO4:2.67H2O = 1.000Cd+2 + 1.000SO4-2 + 2.670H2O log_k -1.723 delta_h -19.126 #kJ/mol #89cox/wag -analytic -1.6718458E+3 -2.6791743E-1 9.1743077E+4 6.0721101E+2 -5.3522102E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 82dek; V°: 95rob/hem; Celadonite K(MgAl)Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.000Al+3 + 1.000K+ + 1.000Mg+2 + 4.000H4SiO4 log_k 10.218 delta_h -114.928 #kJ/mol #02par/vid -analytic -2.2951597E+3 -3.0749038E-1 1.4288441E+5 8.1489322E+2 -8.7631954E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 02par/vid; S°: 02par/vid; Cp: 98hol/pow; V°: 02par/vid; Celadonite(Fe) KFeAlSi4O10(OH)2 + 6.000H+ + 4.000H2O = 1.000Al+3 + 1.000Fe+2 + 1.000K+ + 4.000H4SiO4 log_k 6.448 delta_h -94.529 #kJ/mol #02par/vid -analytic -2.263818E+3 -3.0410611E-1 1.4008687E+5 8.0369207E+2 -8.6761644E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 02par/vid; S°: 02par/vid; Cp: 98hol/pow; V°: 02par/vid; Celestite SrSO4 = 1.000SO4-2 + 1.000Sr+2 log_k -6.620 delta_h -2.451 #kJ/mol #Internal calculation -analytic -1.6382597E+3 -2.6134201E-1 9.0847992E+4 5.929224E+2 -5.5375878E+6 #References = LogK/DGf: 06bla/ign; DHf/DHr: Internal calculation; S°: 06bla/ign; Cp: 06bla/ign; V°: 78hel/del; Cerussite PbCO3 + 1.000H+ = 1.000HCO3- + 1.000Pb+2 log_k -2.963 delta_h 12.709 #kJ/mol #Internal calculation -analytic -8.8003392E+2 -1.4186278E-1 4.7401035E+4 3.2029657E+2 -2.8596598E+6 #References = LogK/DGf: 84tay/lop; DHf/DHr: Internal calculation; S°: 60kel; Cp: 78hel/del; V°: 78hel/del; Chabazite Ca(Al2Si4)O12:6H2O + 8.000H+ = 2.000Al+3 + 1.000Ca+2 + 4.000H4SiO4 + 2.000H2O log_k 11.541 delta_h -200.464 #kJ/mol #08bla -analytic -2.5875779E+3 -3.5298441E-1 1.6180839E+5 9.1700928E+2 -9.5494778E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 08bla; S°: 09bla; Cp: 10vie; V°: 97coo/alb; Chalcanthite CuSO4:5H2O = 1.000Cu+2 + 1.000SO4-2 + 5.000H2O log_k -2.681 delta_h 6.384 #kJ/mol #Internal calculation -analytic -1.757937E+3 -2.5797348E-1 9.5315507E+4 6.3579287E+2 -5.4000291E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 95rob/hem; V°: 95rob/hem; Chalcedony SiO2 + 2.000H2O = 1.000H4SiO4 log_k -3.450 delta_h 21.907 #kJ/mol #78hel/del -analytic -3.5123163E+2 -4.1614757E-2 2.1730112E+4 1.2331201E+2 -1.5842401E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Chalcocite(alpha) Cu2S + 1.000H+ = 2.000Cu+ + 1.000HS- log_k -34.020 delta_h 203.728 #kJ/mol #Internal calculation -analytic -8.6799465E+2 -1.364481E-1 3.6090718E+4 3.1664576E+2 -2.6589355E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 95rob/hem; Cp: 78hel/del; V°: 84pan/stu; Chalcocyanite CuSO4 = 1.000Cu+2 + 1.000SO4-2 log_k 2.940 delta_h -72.762 #kJ/mol #89cox/wag -analytic -1.6722166E+3 -2.6806438E-1 9.5236736E+4 6.0518365E+2 -5.4965898E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 98cha; V°: 95rob/hem; Chalcopyrite(alpha) CuFeS2 + 2.000H+ = 1.000Cu+2 + 1.000Fe+2 + 2.000HS- log_k -33.986 delta_h 137.477 #kJ/mol #95rob/hem -analytic -1.924317E+3 -3.081148E-1 9.6811265E+4 6.976372E+2 -6.1130764E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 78hel/del,70pan/kin; V°: 95rob/hem; Chamosite(Daphnite) Fe5Al(AlSi3)O10(OH)8 + 16.000H+ = 2.000Al+3 + 5.000Fe+2 + 3.000H4SiO4 + 6.000H2O log_k 47.603 delta_h -497.518 #kJ/mol #01vid/par -analytic -3.7422355E+3 -5.4789298E-1 2.3185338E+5 1.338448E+3 -1.2120616E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 01vid/par; S°: 01vid/par; Cp: 05vid/par; V°: 05vid/par; Chlorapatite(Pp) Ca5(PO4)3Cl + 6.000H+ = 5.000Ca+2 + 1.000Cl- + 3.000H2PO4- log_k 14.533 #References = LogK/DGf: 84vie/tar,after 72bduf; #References = LogK/DGf: 84vie/tar,after 72bduf; Cp: 68val/kog; V°: 74nau/ryz; Chlorapatite(Synth) Ca5(PO4)3Cl + 6.000H+ = 5.000Ca+2 + 1.000Cl- + 3.000H2PO4- log_k 5.210 delta_h -132.541 #kJ/mol #Internal calculation -analytic -3.7341077E+3 -6.1239758E-1 2.0792342E+5 1.357092E+3 -1.1868188E+7 #References = LogK/DGf: 68val/kog; DHf/DHr: Internal calculation; S°: 71par/wag; Cp: 68val/kog; V°: 74nau/ryz; Chlorargyrite AgCl = 1.000Ag+ + 1.000Cl- log_k -9.749 delta_h 65.704 #kJ/mol #89cox/wag -analytic -7.3805154E+2 -1.15886E-1 3.7595198E+4 2.6854595E+2 -2.4658989E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 78rob/hem,70pan; V°: 95rob/hem; Chlorite(Cca-2) (Mg2.964Fe1.927Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 + 17.468H+ = 2.483Al+3 + 0.011Ca+2 + 1.712Fe+2 + 2.964Mg+2 + 2.633H4SiO4 + 0.215Fe+3 + 7.468H2O log_k 61.339 delta_h -627.242 #kJ/mol #14bla/gai -analytic -3.9196735E+3 -5.7906678E-1 2.4546019E+5 1.4019542E+3 -1.232598E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 14bla/gai; S°: 14bla/gai; Cp: 09gai/rog; V°: 14bla/gai; Chloritoid FeAl2SiO5(OH)2 + 8.000H+ = 2.000Al+3 + 1.000Fe+2 + 1.000H4SiO4 + 3.000H2O log_k 21.787 delta_h -289.851 #kJ/mol #87woo/gar -analytic -1.6643862E+3 -2.5448941E-1 1.0438177E+5 5.9428858E+2 -5.2071617E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 87woo/gar; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Chloromagnesite MgCl2 = 2.000Cl- + 1.000Mg+2 log_k 22.025 delta_h -159.540 #kJ/mol #98cha -analytic -1.5873819E+3 -2.5606599E-1 9.4920387E+4 5.761318E+2 -5.1746597E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 95rob/hem; Chromite FeCr2O4 + 8.000H+ = 2.000Cr+3 + 1.000Fe+2 + 4.000H2O log_k 15.126 delta_h -268.820 #kJ/mol #95rob/hem -analytic -1.3655056E+3 -2.161256E-1 8.3517093E+4 4.8806529E+2 -3.7987696E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Chrysotile Mg3Si2O5(OH)4 + 6.000H+ = 3.000Mg+2 + 2.000H4SiO4 + 1.000H2O log_k 33.182 delta_h -244.552 #kJ/mol #04eva -analytic -1.8039877E+3 -2.4743291E-1 1.1552931E+5 6.4375706E+2 -6.1763163E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 04eva; S°: 04eva; Cp: 95rob/hem; V°: 78hel/del; Cinnabar(alpha) HgS + 1.000H+ = 1.000HS- + 1.000Hg+2 log_k -39.005 delta_h 207.256 #kJ/mol #78hel/del -analytic -9.1508706E+2 -1.4584062E-1 3.8659747E+4 3.3236538E+2 -2.8906305E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del; S°: 78hel/del; Cp: 87pan/mah; V°: 78hel/del; Cinnabar(beta) HgS + 1.000H+ = 1.000HS- + 1.000Hg+2 log_k -38.620 #delta_h 0.000 #kJ/mol -analytic -9.1312565E+2 -1.4554446E-1 3.8723194E+4 3.3154914E+2 -2.8779424E+6 #References = LogK/DGf: Internal calculation; Cp: 87pan/mah; V°: Default value; Claudetite As2O3 + 3.000H2O = 2.000H2AsO3- + 2.000H+ log_k -19.930 delta_h 94.727 #kJ/mol #Internal calculation -analytic -4.9288445E+2 -9.1503089E-2 1.7342083E+4 1.8317982E+2 -9.9527093E+5 #References = LogK/DGf: 96pok/gou; DHf/DHr: Internal calculation; S°: 96pok/gou; Cp: 96pok/gou; V°: 96pok/gou; Clinochlore Mg5Al(AlSi3)O10(OH)8 + 16.000H+ = 2.000Al+3 + 5.000Mg+2 + 3.000H4SiO4 + 6.000H2O log_k 61.706 delta_h -593.773 #kJ/mol #05vid/par -analytic -3.933293E+3 -5.6860144E-1 2.4698841E+5 1.4055516E+3 -1.2607E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 05vid/par; S°: 05vid/par; Cp: 05vid/par; V°: 05vid/par; Clinoclase Cu3AsO4(OH)3 + 5.000H+ = 1.000H2AsO4- + 3.000Cu+2 + 3.000H2O log_k 10.103 #References = LogK/DGf: 01gas/aza; #References = LogK/DGf: 01gas/aza; V°: 00bla/bid; Clinoptilolite(Ca) Ca0.55(Si4.9Al1.1)O12:3.9H2O + 4.400H+ + 3.700H2O = 1.100Al+3 + 0.550Ca+2 + 4.900H4SiO4 log_k -2.085 delta_h -58.407 #kJ/mol #09bla -analytic -2.3815518E+3 -3.0085981E-1 1.4942318E+5 8.390927E+2 -9.6254008E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 09bla; S°: 09bla; Cp: 10vie; V°: 97coo/alb; Clinoptilolite(K) K1.1(Si4.9Al1.1)O12:2.7H2O + 4.400H+ + 4.900H2O = 1.100Al+3 + 1.100K+ + 4.900H4SiO4 log_k -1.142 delta_h -49.035 #kJ/mol #09bla -analytic -2.3148616E+3 -2.905299E-1 1.4612903E+5 8.1530832E+2 -9.5298429E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 09bla; S°: 09bla; Cp: 10vie; V°: 97coo/alb; Clinoptilolite(Na) Na1.1(Si4.9Al1.1)O12:3.5H2O + 4.400H+ + 4.100H2O = 1.100Al+3 + 1.100Na+ + 4.900H4SiO4 log_k -0.113 delta_h -50.769 #kJ/mol #09bla -analytic -2.3846087E+3 -2.9645291E-1 1.4988094E+5 8.401942E+2 -9.6738611E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 09bla; S°: 09bla; Cp: 10vie; V°: 97coo/alb; Clinozoisite Ca2Al3Si3O12(OH) + 13.000H+ = 3.000Al+3 + 2.000Ca+2 + 3.000H4SiO4 + 1.000H2O log_k 41.904 delta_h -473.273 #kJ/mol #04got -analytic -3.1715578E+3 -4.6903394E-1 2.0085705E+5 1.1313077E+3 -1.0642395E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 04got; S°: 04got; Cp: 04got; V°: 04got; Co(element) Co + 0.500O2 + 2.000H+ = 1.000Co+2 + 1.000H2O log_k 52.733 delta_h -337.363 #kJ/mol #By convention -analytic -4.2222181E+2 -6.5911962E-2 4.0708492E+4 1.5106804E+2 -1.3990067E+6 #References = S°: 87fer, 91din; Cp: 87fer, 91din; V°: 87fer; Co(FeO2)2(alpha) Co(FeO2)2 + 8.000H+ = 1.000Co+2 + 2.000Fe+3 + 4.000H2O log_k 0.775 delta_h -159.200 #kJ/mol #74nau/ryz -analytic -1.3609059E+3 -2.1592327E-1 7.7662036E+4 4.8820401E+2 -3.7735897E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 94pan; Co(OH)2(blue) Co(OH)2 + 2.000H+ = 1.000Co+2 + 2.000H2O log_k 13.801 #References = LogK/DGf: 98ply/zha; #References = LogK/DGf: 98ply/zha; V°: 01mer/vie; Co(OH)2(pink-pc) Co(OH)2 + 2.000H+ = 1.000Co+2 + 2.000H2O log_k 13.205 delta_h -93.560 #kJ/mol #98ply/zha -analytic -3.6762496E+2 -5.0273126E-2 2.3802884E+4 1.3196506E+2 -9.3826672E+5 #References = LogK/DGf: 98ply/zha; DHf/DHr: 98ply/zha; S°: Internal calculation; V°: 01mer/vie; Co(OH)2(pink-wc) Co(OH)2 + 2.000H+ = 1.000Co+2 + 2.000H2O log_k 12.207 delta_h -88.460 #kJ/mol #98ply/zha -analytic -3.6773008E+2 -5.0273126E-2 2.3536494E+4 1.3196506E+2 -9.3826672E+5 #References = LogK/DGf: 98ply/zha; DHf/DHr: 98ply/zha; S°: Internal calculation; V°: 01mer/vie; Co2SiO4 Co2SiO4 + 4.000H+ = 2.000Co+2 + 1.000H4SiO4 log_k 7.358 delta_h -97.061 #kJ/mol #82wag/eva -analytic -1.038818E+3 -1.4608633E-1 6.3991738E+4 3.6993709E+2 -3.5808584E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; Cp: 61kel/kin; V°: 82pan; Co3(PO4)2 Co3(PO4)2 + 4.000H+ = 3.000Co+2 + 2.000H2PO4- log_k 4.360 #References = LogK/DGf: 84vie/tar; #References = LogK/DGf: 84vie/tar; V°: Default value; CoCl2 CoCl2 = 2.000Cl- + 1.000Co+2 log_k 8.474 delta_h -79.220 #kJ/mol #98cha -analytic -1.5576853E+3 -2.5385016E-1 8.897969E+4 5.6601013E+2 -5.0802322E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 84pan; CoCl2:6H2O CoCl2:6H2O = 2.000Cl- + 1.000Co+2 + 6.000H2O log_k -2.534 delta_h 8.060 #kJ/mol #97smi/mar -analytic -1.6775899E+3 -2.4368585E-1 8.9533977E+4 6.0727459E+2 -4.9112606E+6 #References = LogK/DGf: 97smi/mar; DHf/DHr: 97smi/mar; S°: Internal calculation; V°: 94pan; Coesite(alpha) SiO2 + 2.000H2O = 1.000H4SiO4 log_k -2.910 delta_h 19.112 #kJ/mol #78hel/del -analytic -3.527031E+2 -4.1818062E-2 2.195059E+4 1.2386474E+2 -1.5873687E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; CoF2 CoF2 = 1.000Co+2 + 2.000F- log_k -1.391 delta_h -56.770 #kJ/mol #98cha -analytic -1.6903413E+3 -2.7132141E-1 9.4539877E+4 6.1180182E+2 -5.4319926E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 84pan; CoHPO4 CoHPO4 + 1.000H+ = 1.000Co+2 + 1.000H2PO4- log_k 0.490 #References = LogK/DGf: 84vie/tar; #References = LogK/DGf: 84vie/tar; V°: Default value; Conichalcite CaCuAsO4(OH) + 3.000H+ = 1.000H2AsO4- + 1.000Ca+2 + 1.000Cu+2 + 1.000H2O log_k 1.291 #References = LogK/DGf: 01gas/aza; #References = LogK/DGf: 01gas/aza; V°: 00bla/bid; Connellite Cu37Cl8(SO4)2(OH)62:8H2O + 62.000H+ = 8.000Cl- + 37.000Cu+2 + 2.000SO4-2 + 70.000H2O log_k 188.071 delta_h -1554.399 #kJ/mol #Internal calculation -analytic -2.0100792E+4 -3.0717503E+0 1.1510558E+6 7.2803175E+3 -5.9614214E+7 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 90rob/cam; CoO CoO + 2.000H+ = 1.000Co+2 + 1.000H2O log_k 13.775 delta_h -105.530 #kJ/mol #95rob/hem -analytic -3.2438693E+2 -5.0962961E-2 2.2180786E+4 1.1684824E+2 -9.0419208E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Cooperite PtS + 1.000H+ = 1.000Pt+2 + 1.000HS- log_k -60.932 delta_h 321.919 #kJ/mol #Internal calculation -analytic -9.6572844E+2 -1.5547775E-1 3.5270208E+4 3.5048023E+2 -3.0565786E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; Copiapite Fe5(SO4)6(OH)2:20H2O + 2.000H+ = 4.000Fe+3 + 6.000SO4-2 + 1.000Fe+2 + 22.000H2O log_k -16.563 delta_h -206.300 #kJ/mol #02hem/sea -analytic -1.0864336E+4 -1.62485E+0 5.9905788E+5 3.9201601E+3 -3.3531377E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 90rob/cam; Coquimbite Fe2(SO4)3:9H2O = 2.000Fe+3 + 3.000SO4-2 + 9.000H2O log_k -8.976 delta_h -110.290 #kJ/mol #02hem/sea -analytic -5.2353491E+3 -7.8891898E-1 2.8976809E+5 1.8886427E+3 -1.6322713E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 90rob/cam; Cordierite Mg2Al3(AlSi5)O18 + 16.000H+ + 2.000H2O = 4.000Al+3 + 2.000Mg+2 + 5.000H4SiO4 log_k 49.433 delta_h -648.745 #kJ/mol #95rob/hem -analytic -4.3696636E+3 -6.2958321E-1 2.8022776E+5 1.5507866E+3 -1.5147654E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Cordierite(hydrated) Mg2Al3(AlSi5)O18:H2O + 16.000H+ + 1.000H2O = 4.000Al+3 + 2.000Mg+2 + 5.000H4SiO4 log_k 51.683 delta_h -658.326 #kJ/mol #78hel/del -analytic -4.3487968E+3 -6.2643937E-1 2.794002E+5 1.5435514E+3 -1.5047659E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Corkite PbFe3(PO4)(OH)6SO4 + 8.000H+ = 3.000Fe+3 + 1.000H2PO4- + 1.000Pb+2 + 1.000SO4-2 + 6.000H2O log_k -1.943 #References = LogK/DGf: 84nri; #References = LogK/DGf: 84nri; V°: 63wyc; Cornetite Cu3PO4(OH)3 + 5.000H+ = 3.000Cu+2 + 1.000H2PO4- + 3.000H2O log_k 15.018 #References = LogK/DGf: 84nri; #References = LogK/DGf: 84nri; V°: 63wyc; Corundum(alpha) Al2O3 + 6.000H+ = 2.000Al+3 + 3.000H2O log_k 18.301 delta_h -258.590 #kJ/mol #89cox/wag -analytic -9.4860009E+2 -1.5787708E-1 6.0832419E+4 3.3914801E+2 -2.601091E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Corundum(gamma) Al2O3 + 6.000H+ = 2.000Al+3 + 3.000H2O log_k 21.522 delta_h -277.390 #kJ/mol #89cox/wag -analytic -9.4999225E+2 -1.5841591E-1 6.1869865E+4 3.3969343E+2 -2.6059688E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 78hel/del; CoS(alpha) CoS + 1.000H+ = 1.000Co+2 + 1.000HS- log_k -7.441 delta_h 11.840 #kJ/mol #74nau/ryz -analytic -9.8081985E+2 -1.5438024E-1 5.2331559E+4 3.5505659E+2 -3.0826179E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 74nau/ryz; V°: 03dea; CoS(beta) CoS + 1.000H+ = 1.000Co+2 + 1.000HS- log_k -11.070 #References = LogK/DGf: 61kel/kin; #References = LogK/DGf: 61kel/kin; V°: 03dea; CoSO4 CoSO4 = 1.000Co+2 + 1.000SO4-2 log_k 3.009 delta_h -78.680 #kJ/mol #98cha -analytic -1.665155E+3 -2.6798638E-1 9.5300782E+4 6.0234072E+2 -5.5139462E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 94pan; Cotunnite PbCl2 = 2.000Cl- + 1.000Pb+2 log_k -4.807 delta_h 26.160 #kJ/mol #98cha -analytic -1.5285737E+3 -2.4847531E-1 8.2798391E+4 5.56649E+2 -5.0890471E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 84pan; Covellite CuS + 1.000H+ = 1.000Cu+2 + 1.000HS- log_k -22.060 delta_h 96.859 #kJ/mol #Internal calculation -analytic -9.6590567E+2 -1.5396697E-1 4.7082597E+4 3.5005256E+2 -3.0532321E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 95rob/hem; Cp: 84pan/stu; V°: 84pan/stu; Cr(element) Cr + 0.500O2 + 2.000H+ = 1.000Cr+2 + 1.000H2O log_k 70.927 delta_h -437.463 #kJ/mol #By convention -analytic -4.1918772E+2 -6.5280642E-2 4.5814893E+4 1.5015581E+2 -1.3900134E+6 #References = S°: 98cha; Cp: 98cha; V°: 95rob/hem; Cr(OH)2(s) Cr(OH)2 + 2.000H+ = 1.000Cr+2 + 2.000H2O log_k 11.002 delta_h -75.446 #kJ/mol #Internal calculation -analytic -3.8162222E+2 -5.2499966E-2 2.3647804E+4 1.3740262E+2 -9.8065626E+5 #References = LogK/DGf: 41hum/sto; DHf/DHr: Internal calculation; S°: 74nau/ryz; V°: Default value; Cr(OH)3(s) Cr(OH)3 + 3.000H+ = 1.000Cr+3 + 3.000H2O log_k 9.353 delta_h -115.301 #kJ/mol #Internal calculation -analytic -5.4711646E+2 -7.9193855E-2 3.333245E+4 1.9538296E+2 -1.3492986E+6 #References = LogK/DGf: 87rai/sas; DHf/DHr: Internal calculation; S°: 74nau/ryz; V°: Default value; Cr2(SO4)3(s) Cr2(SO4)3 = 2.000Cr+3 + 3.000SO4-2 log_k 4.379 delta_h -277.720 #kJ/mol #91kna/kub -analytic -4.9834942E+3 -8.0843973E-1 2.858872E+5 1.8002483E+3 -1.6405967E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 91kna/kub; S°: 91kna/kub; Cp: 91kna/kub; V°: 94pan; Cr2S3(s) Cr2S3 + 1.000H+ + 0.750H2O = 2.000Cr+2 + 2.500HS- + 0.250S2O3-2 log_k -16.704 delta_h 29.851 #kJ/mol #84pan/stu -analytic -2.5536734E+3 -4.1073391E-1 1.3750673E+5 9.2606397E+2 -8.2897942E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 91kna/kub; V°: 87pan/mah; Crandallite CaAl3(PO4)2(OH)5:H2O + 9.000H+ = 3.000Al+3 + 1.000Ca+2 + 2.000H2PO4- + 6.000H2O log_k 21.051 #References = LogK/DGf: 79vie/tar; #References = LogK/DGf: 79vie/tar; V°: 63wyc; CrCl2(s) CrCl2 = 2.000Cl- + 1.000Cr+2 log_k 12.744 delta_h -103.560 #kJ/mol #98bal/nor -analytic -1.5567584E+3 -2.5305905E-1 9.0178871E+4 5.6558148E+2 -5.0672435E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98bal/nor; S°: 98bal/nor; Cp: 91kna/kub; V°: 84pan; CrCl3(s) CrCl3 + 0.500H2O = 2.500Cl- + 1.000Cr+2 + 0.500ClO- + 1.000H+ log_k -15.227 delta_h 58.083 #kJ/mol #98bal/nor -analytic -2.1812433E+3 -3.5513694E-1 1.1640242E+5 7.9307607E+2 -7.1942121E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98bal/nor; S°: 98bal/nor; Cp: 91kna/kub; V°: 84pan; Cristobalite(alpha) SiO2 + 2.000H2O = 1.000H4SiO4 log_k -3.158 delta_h 18.829 #kJ/mol #04fab/sax -analytic -3.544017E+2 -4.1702635E-2 2.2114271E+4 1.2427357E+2 -1.6001472E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 04fab/sax; S°: 04fab/sax; Cp: 04fab/sax; V°: 04fab/sax; Cristobalite(beta) SiO2 + 2.000H2O = 1.000H4SiO4 log_k -3.096 #delta_h 0.000 #kJ/mol -analytic -3.6088361E+2 -4.1957223E-2 2.2873339E+4 1.2628239E+2 -1.6799304E+6 #References = LogK/DGf: Internal calculation; Cp: 04fab/sax; V°: 04fab/sax; CrO2(s) CrO2 + 3.000H+ = 1.000Cr+3 + 0.250O2 + 1.500H2O log_k 0.443 delta_h -74.378 #kJ/mol #04chi -analytic -4.2881145E+2 -7.0876056E-2 2.4921682E+4 1.5330843E+2 -1.1158625E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 04chi; Cp: 93bar; V°: 92wol; CrO3(s) CrO3 + 1.000H2O = 1.000CrO4-2 + 2.000H+ log_k -3.019 delta_h -10.070 #kJ/mol #98bal/nor -analytic -1.2674558E+3 -2.0965617E-1 7.0660776E+4 4.6023827E+2 -4.3451972E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98bal/nor; S°: 98bal/nor; Cp: 91kna/kub; V°: 92wol; Crocoite PbCrO4 = 1.000CrO4-2 + 1.000Pb+2 log_k -12.550 delta_h 48.940 #kJ/mol #76del/hep -analytic -1.5708609E+3 -2.5330557E-1 8.4654283E+4 5.6987411E+2 -5.35265E+6 #References = LogK/DGf: 42kol/per; DHf/DHr: 76del/hep; S°: Internal calculation; Cp: 74nau/ryz; V°: 00lyd; Cronstedtite(Th) Fe3SiAlO5(OH)4 + 10.000H+ = 1.000Al+3 + 2.000Fe+2 + 1.000H4SiO4 + 1.000Fe+3 + 5.000H2O log_k 96.643 delta_h -738.731 #kJ/mol #15bla/vie -analytic -2.0074006E+3 -2.9853864E-1 1.4641628E+5 7.1605734E+2 -6.2107203E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; CrPO4(green) CrPO4 + 2.000H+ = 1.000Cr+3 + 1.000H2PO4- log_k -5.326 #References = LogK/DGf: 51zha; #References = LogK/DGf: 51zha; V°: Default value; CrPO4(purple) CrPO4 + 2.000H+ = 1.000Cr+3 + 1.000H2PO4- log_k 0.298 #References = LogK/DGf: 51zha; #References = LogK/DGf: 51zha; V°: Default value; CrS(s) CrS + 1.000H+ = 1.000Cr+2 + 1.000HS- log_k 1.675 delta_h -38.860 #kJ/mol #84pan/stu -analytic -9.6517921E+2 -1.5487857E-1 5.4210441E+4 3.4989438E+2 -3.0741518E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 91kna/kub; V°: 87pan/mah; Cu(element) Cu + 0.500O2 + 2.000H+ = 1.000Cu+2 + 1.000H2O log_k 31.601 delta_h -214.586 #kJ/mol #By convention -analytic -4.2540758E+2 -6.5327607E-2 3.438206E+4 1.5224054E+2 -1.3815072E+6 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Cu(OH)2 Cu(OH)2 + 2.000H+ = 1.000Cu+2 + 2.000H2O log_k 8.672 delta_h -62.658 #kJ/mol #Internal calculation -analytic -3.3666279E+2 -4.9930343E-2 2.0701537E+4 1.216584E+2 -9.1093669E+5 #References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 98cha; Cp: 98cha; V°: 84pan/stu; Cu2SO4 Cu2SO4 = 2.000Cu+ + 1.000SO4-2 log_k -1.387 delta_h -16.749 #kJ/mol #00pui -analytic -1.568224E+3 -2.4863101E-1 8.6685802E+4 5.6885969E+2 -5.1011532E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 00pui; S°: 00pui; Cp: 84pan/stu; V°: 84pan/stu; Cu2SO5 Cu2SO5 + 2.000H+ = 2.000Cu+2 + 1.000SO4-2 + 1.000H2O log_k 10.304 delta_h -137.222 #kJ/mol #00pui -analytic -1.9974029E+3 -3.1787668E-1 1.1581856E+5 7.220889E+2 -6.4658431E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 00pui; S°: 00pui; Cp: 98cha; V°: 98cha; Cu3(PO4)2 Cu3(PO4)2 + 4.000H+ = 3.000Cu+2 + 2.000H2PO4- log_k 2.210 delta_h -154.596 #kJ/mol #Internal calculation -analytic -2.2061797E+3 -3.5165658E-1 1.256368E+5 7.9556988E+2 -6.8214649E+6 #References = LogK/DGf: 84vie/tar; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: Default value; Cu3(PO4)2:3H2O Cu3(PO4)2:3H2O + 4.000H+ = 3.000Cu+2 + 2.000H2PO4- + 3.000H2O log_k 3.983 delta_h -142.084 #kJ/mol #Internal calculation -analytic -2.23932E+3 -3.5189206E-1 1.266151E+5 8.0837746E+2 -6.8205072E+6 #References = LogK/DGf: 84vie/tar; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: Default value; Cu4(NO3)2(OH)6 Cu4(NO3)2(OH)6 + 6.000H+ = 4.000Cu+2 + 2.000NO3- + 6.000H2O log_k 14.506 delta_h -104.797 #kJ/mol #Internal calculation -analytic -2.5319236E+3 -3.9091715E-1 1.4171661E+5 9.1929025E+2 -7.7392407E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: Default value; CuCO3 CuCO3 + 1.000H+ = 1.000HCO3- + 1.000Cu+2 log_k -1.120 delta_h -19.417 #kJ/mol #Internal calculation -analytic -9.2672644E+2 -1.4906832E-1 5.0839146E+4 3.363369E+2 -2.9075173E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: Default value; CuF CuF = 1.000Cu+ + 1.000F- log_k -4.712 delta_h 15.552 #kJ/mol #84pan/stu -analytic -7.9465013E+2 -1.2605589E-1 4.2204908E+4 2.8862734E+2 -2.508921E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 84pan/stu; V°: 09hon; CuF2 CuF2 = 1.000Cu+2 + 2.000F- log_k 1.114 delta_h -66.622 #kJ/mol #84pan/stu -analytic -1.6993335E+3 -2.7172344E-1 9.5414751E+4 6.1527418E+2 -5.4239539E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu; CuF2:2H2O CuF2:2H2O = 1.000Cu+2 + 2.000F- + 2.000H2O log_k -4.548 delta_h -15.030 #kJ/mol #Internal calculation -analytic -1.6994665E+3 -2.6788903E-1 9.2886119E+4 6.158373E+2 -5.3870415E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 07gre/per; Cummingtonite Mg7Si8O22(OH)2 + 14.000H+ + 8.000H2O = 7.000Mg+2 + 8.000H4SiO4 log_k 76.152 delta_h -596.457 #kJ/mol #98hol/pow -analytic -5.2421442E+3 -6.9998733E-1 3.3979766E+5 1.8611863E+3 -1.9385351E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 98hol/pow; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Cuprite Cu2O + 2.000H+ = 2.000Cu+ + 1.000H2O log_k -1.470 delta_h 25.915 #kJ/mol #95rob/hem -analytic -2.0387364E+2 -2.8150991E-2 8.6475258E+3 7.5329242E+1 -4.0932625E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 98cha; V°: 78hel/del; Dawsonite NaAlCO3(OH)2 + 3.000H+ = 1.000Al+3 + 1.000HCO3- + 1.000Na+ + 2.000H2O log_k 4.327 delta_h -76.330 #kJ/mol #76fer/stu -analytic -1.21599E+3 -1.9110794E-1 6.8919359E+4 4.3970018E+2 -3.7220307E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 76fer/stu; S°: 76fer/stu; Cp: 76fer/stu; V°: 95rob/hem; Diaspore AlO(OH) + 3.000H+ = 1.000Al+3 + 2.000H2O log_k 6.866 delta_h -108.760 #kJ/mol #95rob/hem -analytic -4.8201662E+2 -7.7930965E-2 2.9964822E+4 1.7237439E+2 -1.3257386E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 78hel/del; Dickite Al2Si2O5(OH)4 + 6.000H+ = 2.000Al+3 + 2.000H4SiO4 + 1.000H2O log_k 9.397 delta_h -180.552 #kJ/mol #06bla/pia -analytic -1.6638485E+3 -2.4070345E-1 1.0291406E+5 5.916831E+2 -5.7109981E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 06bla/pia; S°: 06bla/pia; Cp: 06bla/pia; V°: 78hel/del,78rob/hem; Diopside CaMg(SiO3)2 + 4.000H+ + 2.000H2O = 1.000Ca+2 + 1.000Mg+2 + 2.000H4SiO4 log_k 21.743 delta_h -153.574 #kJ/mol #Internal calculation -analytic -1.332806E+3 -1.8198553E-1 8.603858E+4 4.749095E+2 -4.8802351E+6 #References = LogK/DGf: 78hel/del,92ajoh; DHf/DHr: Internal calculation; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh; Djurleite Cu1.934S + 1.000H+ = 1.868Cu+ + 0.066Cu+2 + 1.000HS- log_k -33.330 delta_h 196.825 #kJ/mol #Internal calculation -analytic -8.6915401E+2 -1.3576764E-1 3.6697803E+4 3.1661699E+2 -2.6872489E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 95rob/hem; Cp: 00pui; V°: 95rob/hem; Dolomite CaMg(CO3)2 + 2.000H+ = 2.000HCO3- + 1.000Ca+2 + 1.000Mg+2 log_k 3.533 delta_h -65.360 #kJ/mol #95rob/hem -analytic -1.7923552E+3 -2.8963391E-1 9.9594038E+4 6.511419E+2 -5.6008136E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 78hel/del,92ajoh; Dolomite(disordered) CaMg(CO3)2 + 2.000H+ = 2.000HCO3- + 1.000Ca+2 + 1.000Mg+2 log_k 4.299 delta_h -73.162 #kJ/mol #78hel/del,92ajoh -analytic -1.7814432E+3 -2.8852695E-1 9.9263747E+4 6.4714027E+2 -5.5533944E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del,92ajoh; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh; Dolomite(ordered) CaMg(CO3)2 + 2.000H+ = 2.000HCO3- + 1.000Ca+2 + 1.000Mg+2 log_k 2.754 delta_h -60.916 #kJ/mol #78hel/del,92ajoh -analytic -1.792373E+3 -2.8963681E-1 9.9362832E+4 6.5114844E+2 -5.6008636E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del,92ajoh; S°: 78hel/del,92ajoh; Cp: 95rob/hem; V°: 78hel/del,92ajoh; Doralcharite TlFe3(SO4)2(OH)6 + 6.000H+ = 3.000Fe+3 + 2.000SO4-2 + 1.000Tl+ + 6.000H2O log_k -2.221 delta_h -230.910 #kJ/mol #09xio -analytic -4.2350425E+3 -6.7654413E-1 2.4158966E+5 1.5269473E+3 -1.3697943E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 09xio; S°: 09xio; Cp: 84pan/stu; V°: 84pan/stu; Duftite PbCuAsO4(OH) + 3.000H+ = 1.000H2AsO4- + 1.000Cu+2 + 1.000Pb+2 + 1.000H2O log_k -1.974 #References = LogK/DGf: 01gas/aza; #References = LogK/DGf: 01gas/aza; V°: 00bla/bid; Eastonite KMg2Al3Si2O10(OH)2 + 14.000H+ = 3.000Al+3 + 1.000K+ + 2.000Mg+2 + 2.000H4SiO4 + 4.000H2O log_k 46.313 delta_h -513.442 #kJ/mol #98hol/pow -analytic -3.0257344E+3 -4.5185951E-1 1.9137182E+5 1.0805094E+3 -9.6667032E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98hol/pow; S°: 98hol/pow; Cp: 98hol/pow; V°: 98hol/pow; Edenite(alpha) Na(Ca2Mg5)(AlSi7)O22(OH)2 + 18.000H+ + 4.000H2O = 1.000Al+3 + 2.000Ca+2 + 5.000Mg+2 + 1.000Na+ + 7.000H4SiO4 log_k 81.946 delta_h -679.296 #kJ/mol #97got -analytic -5.4623009E+3 -7.5241996E-1 3.5051336E+5 1.9444511E+3 -1.942E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 97got; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Enstatite(alpha) MgSiO3 + 2.000H+ + 1.000H2O = 1.000Mg+2 + 1.000H4SiO4 log_k 11.844 delta_h -93.265 #kJ/mol #78hel/del -analytic -7.0139177E+2 -9.4618096E-2 4.5846726E+4 2.4912172E+2 -2.5565294E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Epidote Ca2FeAl2Si3O12(OH) + 13.000H+ = 2.000Al+3 + 2.000Ca+2 + 1.000Fe+3 + 3.000H4SiO4 + 1.000H2O log_k 32.230 delta_h -411.613 #kJ/mol #04got -analytic -3.1567388E+3 -4.6487997E-1 1.9676775E+5 1.1260692E+3 -1.0558252E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 04got; S°: 04got; Cp: 04got; V°: 04got; Epsomite MgSO4:7H2O = 1.000Mg+2 + 1.000SO4-2 + 7.000H2O log_k -1.873 delta_h 10.991 #kJ/mol #Internal calculation -analytic -1.6988081E+3 -2.5721818E-1 9.2712801E+4 6.1577249E+2 -5.4246599E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: Internal calculation; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 95rob/hem; Erdite NaFeS2:2H2O + 0.875H+ = 1.000Fe+2 + 1.000Na+ + 1.875HS- + 0.125SO4-2 + 1.500H2O log_k -5.500 delta_h 27.385 #kJ/mol #14las/pia -analytic -1.8074895E+3 -2.8349252E-1 9.7609895E+4 6.5664586E+2 -5.8402468E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 14las/pia; S°: 14las/pia; Cp: 14las/pia; V°: 14las/pia; Eskolaite Cr2O3 + 6.000H+ = 2.000Cr+3 + 3.000H2O log_k 7.756 delta_h -197.990 #kJ/mol #04chi -analytic -9.8817895E+2 -1.5834184E-1 6.0401277E+4 3.5225212E+2 -2.7616883E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 04chi; Cp: 98cha; V°: 82pan; Ettringite Ca6Al2(SO4)3(OH)12:26H2O + 12.000H+ = 2.000Al+3 + 6.000Ca+2 + 3.000SO4-2 + 38.000H2O log_k 57.009 delta_h -379.834 #kJ/mol #63ber/new -analytic -6.6745712E+3 -1.0474291E+0 3.7870629E+5 2.4266186E+3 -2.0518895E+7 #References = LogK/DGf: 10bbla/bou; DHf/DHr: 63ber/new; S°: Internal calculation; Cp: 79ede/sat; V°: 70moo/tay; Ettringite(Cr) Ca6Al2(OH)12(CrO4)3:26H2O + 12.000H+ = 2.000Al+3 + 6.000Ca+2 + 3.000CrO4-2 + 38.000H2O log_k 60.279 delta_h -503.048 #kJ/mol #00per/pal -analytic -6.462794E+3 -1.0029528E+0 3.7372626E+5 2.3408513E+3 -1.9882337E+7 #References = LogK/DGf: 00per/pal; DHf/DHr: 00per/pal; S°: Internal calculation; Cp: 00per/pal; V°: 70moo/tay; Ettringite(Fe) Ca6Fe2(SO4)3(OH)12:26H2O + 12.000H+ = 6.000Ca+2 + 2.000Fe+3 + 3.000SO4-2 + 38.000H2O log_k 54.589 delta_h -344.348 #kJ/mol #Internal calculation -analytic -6.6148727E+3 -1.0245412E+0 3.7573238E+5 2.4027407E+3 -2.0508554E+7 #References = LogK/DGf: 10bbla/bou; DHf/DHr: Internal calculation; S°: 10bbla/bou; Cp: 10bbla/bou; V°: 98gla/tyr; Farringtonite Mg3(PO4)2 + 4.000H+ = 3.000Mg+2 + 2.000H2PO4- log_k 15.820 delta_h -214.093 #kJ/mol #Internal calculation -analytic -2.1864544E+3 -3.5145069E-1 1.2767723E+5 7.9006079E+2 -6.7671011E+6 #References = LogK/DGf: 68rac/sop; DHf/DHr: Internal calculation; S°: 74nau/ryz; Cp: 63oet/mdo; V°: 84nri; Faustite ZnAl6(PO4)4(OH)8:4H2O + 16.000H+ = 6.000Al+3 + 4.000H2PO4- + 1.000Zn+2 + 12.000H2O log_k 19.627 #References = LogK/DGf: 84nri; #References = LogK/DGf: 84nri; V°: 63wyc; Fayalite Fe2SiO4 + 4.000H+ = 2.000Fe+2 + 1.000H4SiO4 log_k 19.030 delta_h -157.157 #kJ/mol #Internal calculation -analytic -1.0258478E+3 -1.4618015E-1 6.6129821E+4 3.6618221E+2 -3.5053712E+6 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Fe(element) Fe + 0.500O2 + 2.000H+ = 1.000Fe+2 + 1.000H2O log_k 58.856 delta_h -369.763 #kJ/mol #By convention -analytic -4.2248325E+2 -6.5961519E-2 4.2457852E+4 1.5130357E+2 -1.4036127E+6 #References = S°: 95par/kho; Cp: 98cha; V°: 04fab/sax; Fe(OH)2 Fe(OH)2 + 2.000H+ = 1.000Fe+2 + 2.000H2O log_k 12.852 delta_h -88.121 #kJ/mol #Internal calculation -analytic -3.3299984E+2 -5.0831539E-2 2.190257E+4 1.2042336E+2 -9.2751796E+5 #References = LogK/DGf: 53leu/kho; DHf/DHr: Internal calculation; S°: 04chi; Cp: 98cha; V°: 01mer/vie; Fe10S11 Fe10S11 + 9.000H+ + 0.750H2O = 10.000Fe+2 + 10.500HS- + 0.250S2O3-2 log_k -59.393 delta_h 28.630 #kJ/mol #05wal/pel -analytic -1.0231691E+4 -1.6418452E+0 5.5394991E+5 3.7077556E+3 -3.2956546E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 05wal/pel; S°: 05wal/pel; Cp: 05wal/pel; V°: 08bla; Fe11S12 Fe11S12 + 10.000H+ + 0.750H2O = 11.000Fe+2 + 11.500HS- + 0.250S2O3-2 log_k -64.318 delta_h 21.930 #kJ/mol #05wal/pel -analytic -1.1193273E+4 -1.7956615E+0 6.0638077E+5 4.0558402E+3 -3.6036712E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 05wal/pel; S°: 05wal/pel; Cp: 05wal/pel; V°: 08bla; Fe2(SO4)3 Fe2(SO4)3 = 2.000Fe+3 + 3.000SO4-2 log_k 0.038 delta_h -240.820 #kJ/mol #05maj/nav -analytic -5.0254612E+3 -8.1192986E-1 2.8639592E+5 1.8156889E+3 -1.6516778E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 05maj/nav; S°: 05maj/nav; Cp: 02hem/sea; V°: 95rob/hem; Fe7.016S8 Fe7.016S8 + 6.032H+ + 0.738H2O = 7.016Fe+2 + 7.508HS- + 0.246S2O3-2 log_k -47.307 delta_h 52.039 #kJ/mol #05wal/pel -analytic -7.4346812E+3 -1.2000209E+0 3.9979108E+5 2.6965143E+3 -2.3831792E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 05wal/pel; S°: 05wal/pel; Cp: 05wal/pel; V°: 08bla; Fe9S10 Fe9S10 + 8.000H+ + 0.750H2O = 9.000Fe+2 + 9.500HS- + 0.250S2O3-2 log_k -55.460 delta_h 37.210 #kJ/mol #05wal/pel -analytic -9.2707725E+3 -1.4880288E+0 5.0142086E+5 3.359671E+3 -2.9876381E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 05wal/pel; S°: 05wal/pel; Cp: 05wal/pel; V°: 08bla; FeCl2 FeCl2 = 2.000Cl- + 1.000Fe+2 log_k 8.981 delta_h -83.000 #kJ/mol #95par/kho -analytic -1.5585061E+3 -2.5365884E-1 8.9252888E+4 5.661784E+2 -5.085739E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95par/kho; S°: 95par/kho; Cp: 98cha; V°: 95rob/hem; FeCl2:2H2O FeCl2:2H2O = 2.000Cl- + 1.000Fe+2 + 2.000H2O log_k 4.361 delta_h -44.808 #kJ/mol #08bla -analytic -1.6107676E+3 -2.4925728E-1 8.9551087E+4 5.8420437E+2 -5.0213153E+6 #References = LogK/DGf: 08bla; DHf/DHr: 08bla; S°: Internal calculation; V°: 63wyc; FeCl2:4H2O FeCl2:4H2O = 2.000Cl- + 1.000Fe+2 + 4.000H2O log_k 3.034 delta_h -24.776 #kJ/mol #08bla -analytic -1.7163246E+3 -2.582723E-1 9.3684709E+4 6.2250208E+2 -5.1734509E+6 #References = LogK/DGf: 04chr; DHf/DHr: 08bla; S°: Internal calculation; V°: Default value; FeCl2:H2O FeCl2:H2O = 2.000Cl- + 1.000Fe+2 + 1.000H2O log_k 6.114 delta_h -63.904 #kJ/mol #08bla -analytic -1.6403139E+3 -2.5803682E-1 9.219673E+4 5.9502136E+2 -5.1744086E+6 #References = LogK/DGf: 08bla; DHf/DHr: 08bla; S°: Internal calculation; V°: Default value; FeCl3 FeCl3 + 0.500H2O = 2.500Cl- + 1.000Fe+2 + 0.500ClO- + 1.000H+ log_k -2.348 delta_h -22.957 #kJ/mol #95par/kho -analytic -2.1900087E+3 -3.5702059E-1 1.2100306E+5 7.9592707E+2 -7.2189736E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95par/kho; S°: 95par/kho; Cp: 98cha; V°: 95rob/hem; FeCl3:6H2O FeCl3:6H2O = 3.000Cl- + 1.000Fe+3 + 6.000H2O log_k 11.376 delta_h -54.500 #kJ/mol #08bla -analytic -2.4628446E+3 -3.7358238E-1 1.3547843E+5 8.9509667E+2 -7.436022E+6 #References = LogK/DGf: 95par/kho; DHf/DHr: 08bla; S°: Internal calculation; V°: 63wyc; FeO FeO + 2.000H+ = 1.000Fe+2 + 1.000H2O log_k 13.359 delta_h -103.790 #kJ/mol #98cha -analytic -3.3327288E+2 -5.1539534E-2 2.2778307E+4 1.1977513E+2 -9.5795774E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 95rob/hem; Ferricopiapite Fe5(SO4)6O(OH):20H2O + 3.000H+ = 5.000Fe+3 + 6.000SO4-2 + 22.000H2O log_k -20.491 delta_h -222.300 #kJ/mol #02hem/sea -analytic -1.1028378E+4 -1.653793E+0 6.0791316E+5 3.9784177E+3 -3.3985772E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 90rob/cam; Ferrihydrite(2L) Fe(OH)3 + 3.000H+ = 1.000Fe+3 + 3.000H2O log_k 3.403 delta_h -79.390 #kJ/mol #04maj/nav -analytic -4.8305058E+2 -7.3766353E-2 2.8359549E+4 1.7273465E+2 -1.2526817E+6 #References = LogK/DGf: 04maj/nav; DHf/DHr: 04maj/nav; S°: Internal calculation; Cp: 98cha; V°: 92wol; Ferrihydrite(6L) Fe(OH)3 + 3.000H+ = 1.000Fe+3 + 3.000H2O log_k 3.003 delta_h -76.190 #kJ/mol #04maj/nav -analytic -4.8288997E+2 -7.3766353E-2 2.8192403E+4 1.7273465E+2 -1.2526817E+6 #References = LogK/DGf: 04maj/nav; DHf/DHr: 04maj/nav; S°: Internal calculation; Cp: 98cha; V°: 92wol; Ferrite(Mn) MnFe2O4 + 8.000H+ = 2.000Fe+3 + 1.000Mn+2 + 4.000H2O log_k 14.909 delta_h -233.808 #kJ/mol #91kna/kub -analytic -1.3969262E+3 -2.1048378E-1 8.3432651E+4 4.9991008E+2 -3.7546979E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 91kna/kub; S°: 91kna/kub; V°: 63wyc; Ferrohexahydrite FeSO4:6H2O = 1.000Fe+2 + 1.000SO4-2 + 6.000H2O log_k -2.523 delta_h 5.080 #kJ/mol #02hem/sea -analytic -1.7860196E+3 -2.5570246E-1 9.6570679E+4 6.4508358E+2 -5.3676223E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 63wyc; Ferropargasite Na(Ca2Fe4Al)(Al2Si6)O22(OH)2 + 22.000H+ = 3.000Al+3 + 2.000Ca+2 + 4.000Fe+2 + 1.000Na+ + 6.000H4SiO4 log_k 83.843 delta_h -811.949 #kJ/mol #Internal calculation -analytic -5.6904992E+3 -8.1766908E-1 3.6331793E+5 2.0284623E+3 -1.9533576E+7 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Ferrosilite(alpha) FeSiO3 + 2.000H+ + 1.000H2O = 1.000Fe+2 + 1.000H4SiO4 log_k 8.053 delta_h -67.838 #kJ/mol #78hel/del,85hel -analytic -6.6565871E+2 -9.1071991E-2 4.2608236E+4 2.3669255E+2 -2.4644786E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del,85hel; S°: 78hel/del,85hel; Cp: 78hel/del,85hel; V°: 78hel/del,85hel; Ferrotremolite (Ca2Fe5)Si8O22(OH)2 + 14.000H+ + 8.000H2O = 2.000Ca+2 + 5.000Fe+2 + 8.000H4SiO4 log_k 53.699 delta_h -412.225 #kJ/mol #Internal calculation -analytic -4.942592E+3 -6.6976495E-1 3.1400258E+5 1.7585882E+3 -1.8552107E+7 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; FeS(am) FeS + 1.000H+ = 1.000Fe+2 + 1.000HS- log_k -2.990 delta_h -13.944 #kJ/mol #Internal calculation -analytic -9.7855105E+2 -1.5384713E-1 5.3595697E+4 3.541519E+2 -3.0806961E+6 #References = LogK/DGf: 08bla; DHf/DHr: Internal calculation; S°: 08bla; V°: 08bla; FeSO4 FeSO4 = 1.000Fe+2 + 1.000SO4-2 log_k 1.105 delta_h -67.140 #kJ/mol #02hem/sea -analytic -1.6664998E+3 -2.6803306E-1 9.4748784E+4 6.0285988E+2 -5.5121092E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; Cp: 98cha; V°: 01mer/vie; Florencite CeAl3(PO4)2(OH)6 + 10.000H+ = 3.000Al+3 + 1.000Ce+3 + 2.000H2PO4- + 6.000H2O log_k 16.579 delta_h -387.869 #kJ/mol #Internal calculation -analytic -3.2764273E+3 -5.1637881E-1 1.9220932E+5 1.1768428E+3 -9.7541791E+6 #References = LogK/DGf: 93sch/got; DHf/DHr: Internal calculation; S°: 93sch/got; Cp: 93sch/got; V°: 93sch/got; Florencite(La) LaAl3(PO4)2(OH)6 + 10.000H+ = 3.000Al+3 + 1.000La+3 + 2.000H2PO4- + 6.000H2O log_k 18.176 #References = LogK/DGf: 93sch/got; #References = LogK/DGf: 93sch/got; V°: Default value; Fluorapatite(Natur) Ca5(PO4)3F + 6.000H+ = 5.000Ca+2 + 1.000F- + 3.000H2PO4- log_k -0.910 delta_h -115.601 #kJ/mol #Internal calculation -analytic -3.7675938E+3 -6.2227437E-1 2.0719593E+5 1.369906E+3 -1.1775417E+7 #References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 71par/wag; Cp: 60kel; V°: 95rob/hem; Fluorite CaF2 = 1.000Ca+2 + 2.000F- log_k -10.510 delta_h 14.561 #kJ/mol #Internal calculation -analytic -1.6496805E+3 -2.6611418E-1 8.8752676E+4 5.9836725E+2 -5.3146007E+6 #References = LogK/DGf: 04gar/muc; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Fluorphlogopite KMg3(AlSi3)O10(F)2 + 8.000H+ + 2.000H2O = 1.000Al+3 + 2.000F- + 1.000K+ + 3.000Mg+2 + 3.000H4SiO4 log_k 24.017 delta_h -311.663 #kJ/mol #95rob/hem -analytic -3.942573E+3 -5.8323303E-1 2.3765657E+5 1.4124165E+3 -1.3472307E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 78hel/del,78rob/hem; Cp: 78hel/del,78rob/hem; V°: 78hel/del,78rob/hem; Forsterite Mg2SiO4 + 4.000H+ = 2.000Mg+2 + 1.000H4SiO4 log_k 28.609 delta_h -217.115 #kJ/mol #Internal calculation -analytic -1.0983766E+3 -1.5385695E-1 7.321503E+4 3.91599E+2 -3.7061609E+6 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Foshagite Ca4Si3O9(OH)2:0.5H2O + 8.000H+ + 0.500H2O = 4.000Ca+2 + 3.000H4SiO4 log_k 65.959 delta_h -373.238 #kJ/mol #56new -analytic -2.2772909E+3 -3.0919715E-1 1.5248108E+5 8.1483143E+2 -8.1989745E+6 #References = LogK/DGf: 10abla/bou; DHf/DHr: 56new; S°: Internal calculation; Cp: 10abla/bou; V°: 63wyc; Friedel_Salt Ca4Al2Cl2O6:10H2O + 12.000H+ = 2.000Al+3 + 4.000Ca+2 + 2.000Cl- + 16.000H2O log_k 74.946 delta_h -486.198 #kJ/mol #10bbla/bou -analytic -3.3745929E+3 -5.3105384E-1 2.0377591E+5 1.2270148E+3 -9.9349994E+6 #References = LogK/DGf: 10bbla/bou; DHf/DHr: 10bbla/bou; S°: Internal calculation; Cp: 10bbla/bou; V°: 97tay; Galena PbS + 1.000H+ = 1.000Pb+2 + 1.000HS- log_k -14.835 delta_h 82.940 #kJ/mol #98cha -analytic -9.2559024E+2 -1.4783405E-1 4.6673721E+4 3.3654235E+2 -3.0637176E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 78hel/del; Gallobeudantite PbGa3(AsO4)(SO4)(OH)6 + 8.000H+ = 1.000H2AsO4- + 3.000Ga+3 + 1.000Pb+2 + 1.000SO4-2 + 6.000H2O log_k -8.694 #References = LogK/DGf: 04gab/vie; #References = LogK/DGf: 04gab/vie; V°: Default value; GaOOH GaOOH + 3.000H+ = 1.000Ga+3 + 2.000H2O log_k 1.487 delta_h -42.093 #kJ/mol #Internal calculation -analytic 9.5782754E+2 1.7552134E-1 -4.6284848E+4 -3.5697837E+2 2.6568082E+6 #References = LogK/DGf: 97ben/dia; DHf/DHr: Internal calculation; S°: 97ben/dia; Cp: 97ben/dia; V°: 97ben/dia; Gaylussite CaNa2(CO3)2:5H2O + 2.000H+ = 2.000HCO3- + 1.000Ca+2 + 2.000Na+ + 5.000H2O log_k 11.229 delta_h 1.696 #kJ/mol #Internal calculation -analytic -1.8466947E+3 -2.5990269E-1 9.946122E+4 6.7151642E+2 -5.3162171E+6 #References = LogK/DGf: 99kon/kon; DHf/DHr: Internal calculation; S°: 99kon/kon; V°: 63wyc; Gehlenite Ca2(Al2Si)O7 + 10.000H+ = 2.000Al+3 + 2.000Ca+2 + 1.000H4SiO4 + 3.000H2O log_k 55.240 delta_h -494.151 #kJ/mol #95rob/hem -analytic -1.8832924E+3 -2.9157019E-1 1.2620693E+5 6.7395732E+2 -5.8224906E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Gibbsite Al(OH)3 + 3.000H+ = 1.000Al+3 + 3.000H2O log_k 7.738 delta_h -102.759 #kJ/mol #Internal calculation -analytic -4.9375037E+2 -8.0899785E-2 2.9713754E+4 1.779027E+2 -1.2676533E+6 #References = LogK/DGf: 95pok/hel; DHf/DHr: Internal calculation; S°: 95pok/hel; Cp: 95pok/hel; V°: 78hel/del; Gibbsite(am) Al(OH)3 + 3.000H+ = 1.000Al+3 + 3.000H2O log_k 10.578 delta_h -119.770 #kJ/mol #93bar -analytic -5.1603622E+2 -7.6452847E-2 3.2063453E+4 1.8448125E+2 -1.2995608E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 93bar; S°: 93bar; V°: 78hel/del; Gibbsite(mc) Al(OH)3 + 3.000H+ = 1.000Al+3 + 3.000H2O log_k 9.353 delta_h -102.510 #kJ/mol #90nor/plu -analytic -5.1423761E+2 -7.6452847E-2 3.1161906E+4 1.8448125E+2 -1.2995608E+6 #References = LogK/DGf: 90nor/plu; DHf/DHr: 90nor/plu; S°: Internal calculation; V°: 78hel/del; Gismondine Ca2Al4Si4O16:9H2O + 16.000H+ = 4.000Al+3 + 2.000Ca+2 + 4.000H4SiO4 + 9.000H2O log_k 39.004 delta_h -467.714 #kJ/mol #08bla -analytic -4.0017219E+3 -5.8056754E-1 2.4734497E+5 1.428423E+3 -1.3362172E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 08bla; S°: 10vie; Cp: 10vie; V°: 97coo/alb; Glaserite Na2K6(SO4)4 = 6.000K+ + 2.000Na+ + 4.000SO4-2 log_k -7.610 delta_h 78.360 #kJ/mol #82wag/eva -analytic -6.2606413E+3 -9.6072249E-1 3.4398961E+5 2.2709666E+3 -2.0768609E+7 #References = LogK/DGf: 80har/wea; DHf/DHr: 82wag/eva; S°: Internal calculation; V°: 63wyc; Glauberite Na2Ca(SO4)2 = 1.000Ca+2 + 2.000Na+ + 2.000SO4-2 log_k 1.970 delta_h -13.160 #kJ/mol #82wag/eva -analytic -3.3021161E+3 -5.1053089E-1 1.8312273E+5 1.1978285E+3 -1.0831151E+7 #References = LogK/DGf: 84har/mol; DHf/DHr: 82wag/eva; S°: Internal calculation; V°: 63wyc; Glauconite (K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 + 7.000H+ + 3.000H2O = 0.500Al+3 + 1.250Fe+3 + 0.750K+ + 0.250Mg+2 + 3.750H4SiO4 + 0.250Fe+2 log_k 1.873 delta_h -120.903 #kJ/mol #15bla/vie -analytic -2.3976207E+3 -3.2091227E-1 1.4807364E+5 8.4865741E+2 -9.0151175E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Glaucophane Na2(Mg3Al2)Si8O22(OH)2 + 14.000H+ + 8.000H2O = 2.000Al+3 + 3.000Mg+2 + 2.000Na+ + 8.000H4SiO4 log_k 37.026 delta_h -378.727 #kJ/mol #95rob/hem -analytic -5.095188E+3 -6.8518568E-1 3.2040873E+5 1.8087612E+3 -1.9006796E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Goethite FeOOH + 3.000H+ = 1.000Fe+3 + 2.000H2O log_k 0.362 delta_h -60.660 #kJ/mol #03maj/gre -analytic -4.9687107E+2 -8.1269723E-2 2.7746417E+4 1.789779E+2 -1.2860575E+6 #References = LogK/DGf: 95par/kho; DHf/DHr: 03maj/gre; S°: Internal calculation; Cp: 03maj/gre; V°: 95rob/hem; Gorceixite BaAl3(PO4)2(OH)5:H2O + 9.000H+ = 3.000Al+3 + 1.000Ba+2 + 2.000H2PO4- + 6.000H2O log_k 13.706 #References = LogK/DGf: 89sch/her; #References = LogK/DGf: 89sch/her; V°: Default value; Goyazite SrAl3(PO4)2(OH)5:H2O + 9.000H+ = 3.000Al+3 + 2.000H2PO4- + 1.000Sr+2 + 6.000H2O log_k 16.848 delta_h -334.188 #kJ/mol #Internal calculation -analytic -3.0527103E+3 -4.7785773E-1 1.7704657E+5 1.0986155E+3 -8.9105125E+6 #References = LogK/DGf: 89sch/her; DHf/DHr: Internal calculation; S°: 04gab/vie; Cp: 04gab/vie; V°: 04gab/vie; Greenalite Fe3Si2O5(OH)4 + 6.000H+ = 3.000Fe+2 + 2.000H4SiO4 + 1.000H2O log_k 21.774 delta_h -172.552 #kJ/mol #83miy/kle -analytic -1.7299665E+3 -2.4007877E-1 1.0801798E+5 6.1781495E+2 -6.0195713E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 83miy/kle; S°: 83miy/kle; Cp: 83miy/kle; V°: 78hel/del; Greenockite CdS + 1.000H+ = 1.000Cd+2 + 1.000HS- log_k -14.820 delta_h 56.570 #kJ/mol #06deo/nav -analytic -9.3406918E+2 -1.4889926E-1 4.7625641E+4 3.3842223E+2 -2.9776997E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 06deo/nav; S°: 06bla/pia; Cp: 99yun/glu; V°: 95rob/hem; Greenrust(Cl) Fe4(OH)8Cl + 8.000H+ = 1.000Cl- + 3.000Fe+2 + 1.000Fe+3 + 8.000H2O log_k 32.324 #References = LogK/DGf: 04chi; #References = LogK/DGf: 04chi; V°: Default value; Greenrust(CO3) Fe6(OH)12CO3:2H2O + 13.000H+ = 1.000HCO3- + 4.000Fe+2 + 2.000Fe+3 + 14.000H2O log_k 45.336 #References = LogK/DGf: 04chi; #References = LogK/DGf: 04chi; V°: Default value; Greenrust(OH) Fe3O2(OH)4 + 8.000H+ = 2.000Fe+3 + 1.000Fe+2 + 6.000H2O log_k 17.177 #References = LogK/DGf: 04chi; #References = LogK/DGf: 04chi; V°: Default value; Greenrust(SO3) Fe8(OH)16SO3:4H2O + 14.000H+ = 8.000Fe+2 + 1.000SO4-2 + 19.000H2O log_k 89.176 #References = LogK/DGf: 04chi; #References = LogK/DGf: 04chi; V°: Default value; Greenrust2(SO4) Fe6(OH)12SO4:2H2O + 12.000H+ = 4.000Fe+2 + 1.000SO4-2 + 2.000Fe+3 + 14.000H2O log_k 37.501 #References = LogK/DGf: 04chi; #References = LogK/DGf: 04chi; V°: Default value; Greigite Fe3S4 + 2.000H+ + 0.750H2O = 3.000Fe+2 + 3.500HS- + 0.250S2O3-2 log_k -21.889 delta_h 35.262 #kJ/mol #08bla -analytic -3.5543818E+3 -5.6187424E-1 1.9110521E+5 1.2878114E+3 -1.1339225E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 08bla; S°: 08bla; V°: 90rob/cam; Grossular Ca3Al2Si3O12 + 12.000H+ = 2.000Al+3 + 3.000Ca+2 + 3.000H4SiO4 log_k 49.372 delta_h -442.383 #kJ/mol #95rob/hem -analytic -2.9566754E+3 -4.3410622E-1 1.8868769E+5 1.057027E+3 -1.0038715E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh; Grunerite Fe7Si8O22(OH)2 + 14.000H+ + 8.000H2O = 7.000Fe+2 + 8.000H4SiO4 log_k 48.038 delta_h -391.247 #kJ/mol #95rob/hem -analytic -5.050855E+3 -6.8320226E-1 3.187714E+5 1.7966553E+3 -1.8870364E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Guerinite Ca5H2(AsO4)4:9H2O + 6.000H+ = 4.000H2AsO4- + 5.000Ca+2 + 9.000H2O log_k 19.689 #References = LogK/DGf: 99bot/bro; #References = LogK/DGf: 99bot/bro; V°: 00bla/bid; Gypsum CaSO4:2H2O = 1.000Ca+2 + 1.000SO4-2 + 2.000H2O log_k -4.605 delta_h -1.054 #kJ/mol #CODATA87 -analytic -1.620207E+3 -2.5723367E-1 8.9150211E+4 5.8738246E+2 -5.3473276E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: CODATA87; S°: CODATA87; Cp: 74nau/ryz; V°: 95rob/hem; Gyrolite Ca2Si3O7.5(OH):2H2O + 4.000H+ + 1.500H2O = 2.000Ca+2 + 3.000H4SiO4 log_k 22.338 delta_h -115.848 #kJ/mol #10abla/bou -analytic -1.6006301E+3 -2.0524823E-1 1.0339525E+5 5.6892558E+2 -6.2576818E+6 #References = LogK/DGf: 10abla/bou; DHf/DHr: 10abla/bou; S°: Internal calculation; Cp: 10abla/bou; V°: 10abla/bou; Halite NaCl = 1.000Cl- + 1.000Na+ log_k 1.594 delta_h 3.700 #kJ/mol #78hel/del, 98cha -analytic -7.522461E+2 -1.1904903E-1 4.1385514E+4 2.7417807E+2 -2.4808996E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del, 98cha; S°: 98cha; Cp: 78hel/del; V°: 78hel/del; Halloysite Al2Si2O5(OH)4 + 6.000H+ = 2.000Al+3 + 2.000H4SiO4 + 1.000H2O log_k 10.334 delta_h -187.752 #kJ/mol #06bla/pia -analytic -1.67629E+3 -2.3686038E-1 1.0512453E+5 5.9440364E+2 -5.8810176E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 06bla/pia; S°: 06bla/pia; Cp: 06bla/pia; V°: 78hel/del,78rob/hem; Halotrichite FeAl2(SO4)4:22H2O = 2.000Al+3 + 1.000Fe+2 + 4.000SO4-2 + 22.000H2O log_k -8.239 delta_h -51.420 #kJ/mol #02hem/sea -analytic -7.0608605E+3 -1.0302679E+0 3.8495138E+5 2.5498444E+3 -2.1402056E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 90rob/cam; Hbeidellite(Ca) Ca0.17Al2.34Si3.66O10(OH)2:4.24H2O + 7.360H+ = 2.340Al+3 + 0.170Ca+2 + 3.660H4SiO4 + 1.600H2O log_k 3.936 delta_h -176.294 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.4027162E+3 -3.2987816E-1 1.5008099E+5 8.4975426E+2 -8.9808844E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hbeidellite(K) K0.34Al2.34Si3.66O10(OH)2:1.627H2O + 7.360H+ + 1.013H2O = 2.340Al+3 + 0.340K+ + 3.660H4SiO4 log_k 4.321 delta_h -173.017 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.4171154E+3 -3.316485E-1 1.5082088E+5 8.5518702E+2 -9.0354191E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hbeidellite(Mg) Mg0.17Al2.34Si3.66O10(OH)2:4.098H2O + 7.360H+ = 2.340Al+3 + 0.170Mg+2 + 3.660H4SiO4 + 1.458H2O log_k 3.203 delta_h -174.536 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.4206016E+3 -3.321074E-1 1.5096664E+5 8.56003E+2 -9.0356122E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hbeidellite(Na) Na0.34Al2.34Si3.66O10(OH)2:2.756H2O + 7.360H+ = 2.340Al+3 + 0.340Na+ + 3.660H4SiO4 + 0.116H2O log_k 4.407 delta_h -177.111 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.4235063E+3 -3.3158969E-1 1.5137177E+5 8.5710749E+2 -9.0478304E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hedenbergite CaFe(SiO3)2 + 4.000H+ + 2.000H2O = 1.000Ca+2 + 1.000Fe+2 + 2.000H4SiO4 log_k 19.970 delta_h -141.006 #kJ/mol #Internal calculation -analytic -1.3059182E+3 -1.7957547E-1 8.3977294E+4 4.6555296E+2 -4.8191744E+6 #References = LogK/DGf: 78hel/del,92ajoh; DHf/DHr: Internal calculation; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh; Hellyerite NiCO3:6H2O + 1.000H+ = 1.000HCO3- + 1.000Ni+2 + 6.000H2O log_k 2.819 delta_h -8.036 #kJ/mol #Internal calculation -analytic -8.5139433E+2 -1.3673168E-1 4.6900758E+4 3.1058787E+2 -2.7428402E+6 #References = LogK/DGf: 02wal/pre; DHf/DHr: Internal calculation; S°: 02wal/pre; Cp: 13bla/gab; V°: 02wal/pre; Hematite Fe2O3 + 6.000H+ = 2.000Fe+3 + 3.000H2O log_k -0.044 delta_h -129.260 #kJ/mol #90hem -analytic -9.4281016E+2 -1.528255E-1 5.3792156E+4 3.3793499E+2 -2.5145091E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 90hem; S°: 90hem; Cp: 90hem; V°: 78hel/del; Hemicarboaluminate Ca8Al4CO16:22H2O + 27.000H+ = 4.000Al+3 + 1.000HCO3- + 8.000Ca+2 + 35.000H2O log_k 183.696 delta_h -1204.546 #kJ/mol #Internal calculation -analytic -4.8335447E+3 -7.4530291E-1 3.1368398E+5 1.7531972E+3 -1.3406998E+7 #References = LogK/DGf: 10bbla/bou; DHf/DHr: Internal calculation; S°: 10bbla/bou; Cp: 10bbla/bou; V°: 97tay; Hemihydroxichloride(Ca) Ca2(OH)2Cl2:H2O + 2.000H+ = 2.000Ca+2 + 2.000Cl- + 3.000H2O log_k 26.533 #References = LogK/DGf: 84har/mol; #References = LogK/DGf: 84har/mol; V°: Default value; Heulandite(Ca) Ca1.07Al2.14Si6.86O18:6.17H2O + 8.560H+ + 3.270H2O = 2.140Al+3 + 1.070Ca+2 + 6.860H4SiO4 log_k 2.457 delta_h -139.108 #kJ/mol #09bla -analytic -3.7607701E+3 -5.0483789E-1 2.3083824E+5 1.3337643E+3 -1.4294418E+7 #References = LogK/DGf: 09bla; DHf/DHr: 09bla; S°: Internal calculation; Cp: 10vie; V°: 97coo/alb; Heulandite(Na) Na2.14Al2.14Si6.86O18:6.17H2O + 8.560H+ + 3.270H2O = 2.140Al+3 + 2.140Na+ + 6.860H4SiO4 log_k 2.797 delta_h -126.775 #kJ/mol #09bla -analytic -3.7890714E+3 -4.9720069E-1 2.3269508E+5 1.3423841E+3 -1.4400431E+7 #References = LogK/DGf: 09bla; DHf/DHr: 09bla; S°: Internal calculation; Cp: 10vie; V°: 97coo/alb; Hexahydrite MgSO4:6H2O = 1.000Mg+2 + 1.000SO4-2 + 6.000H2O log_k -1.634 delta_h -4.625 #kJ/mol #Internal calculation -analytic -1.6899917E+3 -2.5875891E-1 9.3104084E+4 6.1208974E+2 -5.4529058E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: Internal calculation; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 63wyc; Hg(l) Hg = 1.000Hg log_k -6.502 delta_h 12.503 #kJ/mol #By convention -analytic 1.6301788E+2 2.9252674E-2 -1.3987847E+4 -5.8730554E+1 1.2443643E+6 #References = S°: 89cox/wag; Cp: 98cha; V°: 95rob/hem; Hg2SO4 Hg2SO4 = 1.000Hg2+2 + 1.000SO4-2 log_k -6.192 delta_h 0.620 #kJ/mol #89cox/wag -analytic -1.565348E+3 -2.5198577E-1 8.5551995E+4 5.6783449E+2 -5.131496E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 77bar/kna; V°: 95rob/hem; Hg3(OH)3PO4 Hg3(OH)3PO4 + 5.000H+ = 3.000Hg+2 + 1.000H2PO4- + 3.000H2O log_k -2.185 #References = LogK/DGf: 05pow/bro; #References = LogK/DGf: 05pow/bro; V°: Default value; Hg3(PO4)2 Hg3(PO4)2 + 4.000H+ = 3.000Hg+2 + 2.000H2PO4- log_k -10.175 #References = LogK/DGf: 05pow/bro; #References = LogK/DGf: 05pow/bro; V°: Default value; HgCO3.2HgO HgCO3(HgO)2 + 5.000H+ = 1.000HCO3- + 3.000Hg+2 + 2.000H2O log_k -0.868 #References = LogK/DGf: 05pow/bro; #References = LogK/DGf: 05pow/bro; V°: Default value; HgHPO4 HgHPO4 + 1.000H+ = 1.000Hg+2 + 1.000H2PO4- log_k -5.887 #References = LogK/DGf: 05pow/bro; #References = LogK/DGf: 05pow/bro; V°: Default value; HgO(cr) HgO + 2.000H+ = 1.000Hg+2 + 1.000H2O log_k 2.445 delta_h -24.830 #kJ/mol #89cox/wag -analytic -2.9025869E+2 -4.3816549E-2 1.6223576E+4 1.0510834E+2 -7.7606166E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 98cha; V°: 95rob/hem; Hilgenstockite Ca4O(PO4)2 + 6.000H+ = 4.000Ca+2 + 2.000H2PO4- + 1.000H2O log_k 23.594 #References = LogK/DGf: 84vie/tar,after 71bduf; #References = LogK/DGf: 84vie/tar,after 71bduf; V°: Default value; Hillebrandite Ca2SiO3(OH)2:0.17H2O + 4.000H+ = 2.000Ca+2 + 1.000H4SiO4 + 1.170H2O log_k 36.951 delta_h -216.802 #kJ/mol #56new -analytic -9.0735648E+2 -1.2719296E-1 6.3081089E+4 3.2561964E+2 -3.117433E+6 #References = LogK/DGf: 10abla/bou; DHf/DHr: 56new; S°: Internal calculation; Cp: 10abla/bou; V°: 95dai/pos; Hinsdalite PbAl3(PO4)(SO4)(OH)6 + 8.000H+ = 3.000Al+3 + 1.000H2PO4- + 1.000Pb+2 + 1.000SO4-2 + 6.000H2O log_k 6.691 #References = LogK/DGf: 78ric/nri; #References = LogK/DGf: 78ric/nri; V°: 63wyc; Hmontmorillonite(HcCa) Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.288H2O + 6.000H+ = 1.400Al+3 + 0.300Ca+2 + 0.600Mg+2 + 4.000H4SiO4 + 0.288H2O log_k 4.334 delta_h -120.986 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.3094231E+3 -3.0580588E-1 1.4471075E+5 8.1639059E+2 -8.9368523E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hmontmorillonite(HcK) K0.6Mg0.6Al1.4Si4O10(OH)2:2.513H2O + 6.000H+ + 1.487H2O = 1.400Al+3 + 0.600K+ + 0.600Mg+2 + 4.000H4SiO4 log_k 3.654 delta_h -108.272 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.3026227E+3 -3.0364656E-1 1.4397869E+5 8.1412322E+2 -8.9420525E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hmontmorillonite(HcMg) Mg0.3Mg0.6Al1.4Si4O10(OH)2:5.129H2O + 6.000H+ = 1.400Al+3 + 0.900Mg+2 + 4.000H4SiO4 + 1.129H2O log_k 2.761 delta_h -115.778 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.3284436E+3 -3.0770632E-1 1.455187E+5 8.2285518E+2 -8.9983921E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hmontmorillonite(HcNa) Na0.6Mg0.6Al1.4Si4O10(OH)2:3.006H2O + 6.000H+ + 0.994H2O = 1.400Al+3 + 0.600Mg+2 + 0.600Na+ + 4.000H4SiO4 log_k 4.188 delta_h -118.065 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.3310741E+3 -3.0633588E-1 1.4597088E+5 8.2377926E+2 -9.0120819E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hmontmorillonite(MgCa) Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.265H2O + 6.000H+ = 1.660Al+3 + 0.170Ca+2 + 0.340Mg+2 + 4.000H4SiO4 + 0.265H2O log_k 1.859 delta_h -115.428 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.3130675E+3 -3.0785671E-1 1.4446533E+5 8.1750003E+2 -8.9493788E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hmontmorillonite(MgK) K0.34Mg0.34Al1.66Si4O10(OH)2:2.517H2O + 6.000H+ + 1.483H2O = 1.660Al+3 + 0.340K+ + 0.340Mg+2 + 4.000H4SiO4 log_k 2.068 delta_h -116.222 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.318488E+3 -3.0801566E-1 1.449068E+5 8.1931728E+2 -8.9761481E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hmontmorillonite(MgMg) Mg0.17Mg0.34Al1.66Si4O10(OH)2:5.093H2O + 6.000H+ = 1.660Al+3 + 0.510Mg+2 + 4.000H4SiO4 + 1.093H2O log_k 0.730 delta_h -109.751 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.3195967E+3 -3.0827895E-1 1.4457311E+5 8.1969438E+2 -8.9729708E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hmontmorillonite(MgNa) Na0.34Mg0.34Al1.66Si4O10(OH)2:3.003H2O + 6.000H+ + 0.997H2O = 1.660Al+3 + 0.340Mg+2 + 0.340Na+ + 4.000H4SiO4 log_k 2.190 delta_h -119.524 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.3320394E+3 -3.0915468E-1 1.4579619E+5 8.2392535E+2 -9.0091988E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hnontronite(Ca) Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.24H2O + 7.360H+ = 0.670Al+3 + 0.170Ca+2 + 1.670Fe+3 + 3.660H4SiO4 + 1.600H2O log_k -4.661 delta_h -114.584 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.4190674E+3 -3.2865025E-1 1.4773689E+5 8.5589721E+2 -8.9764584E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hnontronite(K) K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.627H2O + 7.360H+ + 1.013H2O = 0.670Al+3 + 1.670Fe+3 + 0.340K+ + 3.660H4SiO4 log_k -4.276 delta_h -111.307 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.4331472E+3 -3.3037598E-1 1.4845875E+5 8.6121518E+2 -9.0299317E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hnontronite(Mg) Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.098H2O + 7.360H+ = 0.670Al+3 + 1.670Fe+3 + 0.170Mg+2 + 3.660H4SiO4 + 1.458H2O log_k -5.394 delta_h -112.827 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.4356476E+3 -3.3069713E-1 1.4854883E+5 8.6167672E+2 -9.0268481E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hnontronite(Na) Na0.34Fe1.67Al0.67Si3.66O10(OH)2:2.756H2O + 7.360H+ = 0.670Al+3 + 1.670Fe+3 + 0.340Na+ + 3.660H4SiO4 + 0.116H2O log_k -4.190 delta_h -115.401 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.4395943E+3 -3.3032501E-1 1.4901281E+5 8.6315584E+2 -9.0425297E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hopeite(alpha) Zn3(PO4)2:4H2O + 4.000H+ = 2.000H2PO4- + 3.000Zn+2 + 4.000H2O log_k 3.824 delta_h -106.676 #kJ/mol #84vie/tar, after 78yag -analytic -2.3065362E+3 -3.3859157E-1 1.2821301E+5 8.3124159E+2 -6.7177085E+6 #References = LogK/DGf: 73bnri,76smi/mar; DHf/DHr: 84vie/tar, after 78yag; S°: Internal calculation; V°: 63wyc; Hopeite(beta) Zn3(PO4)2:4H2O + 4.000H+ = 2.000H2PO4- + 3.000Zn+2 + 4.000H2O log_k 8.439 delta_h -117.176 #kJ/mol #79vol -analytic -2.3037611E+3 -3.3859157E-1 1.2876146E+5 8.3124159E+2 -6.7177085E+6 #References = LogK/DGf: 84vie/tar; DHf/DHr: 79vol; S°: Internal calculation; V°: 63wyc; Hsaponite(Ca) Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.799H2O + 7.360H+ = 0.340Al+3 + 0.170Ca+2 + 3.000Mg+2 + 3.660H4SiO4 + 2.159H2O log_k 26.450 delta_h -241.776 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.5060268E+3 -3.3073338E-1 1.6052946E+5 8.8800109E+2 -9.3012824E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hsaponite(FeCa) Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.799H2O + 7.360H+ = 0.340Al+3 + 0.170Ca+2 + 1.000Fe+2 + 2.000Mg+2 + 3.660H4SiO4 + 2.159H2O log_k 23.663 delta_h -229.642 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.4749203E+3 -3.277182E-1 1.5813824E+5 8.7679134E+2 -9.2154974E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hsaponite(FeK) K0.34Mg2FeAl0.34Si3.66O10(OH)2:4.061H2O + 7.360H+ = 0.340Al+3 + 1.000Fe+2 + 0.340K+ + 2.000Mg+2 + 3.660H4SiO4 + 1.421H2O log_k 23.914 delta_h -222.075 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.4649624E+3 -3.2566748E-1 1.5741356E+5 8.7354256E+2 -9.2020401E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hsaponite(FeMg) Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:5.039H2O + 7.360H+ = 0.340Al+3 + 1.000Fe+2 + 2.170Mg+2 + 3.660H4SiO4 + 2.399H2O log_k 22.899 delta_h -228.943 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.4869452E+3 -3.2899569E-1 1.5875646E+5 8.8082551E+2 -9.252251E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hsaponite(FeNa) Na0.34Mg2FeAl0.34Si3.66O10(OH)2:4.297H2O + 7.360H+ = 0.340Al+3 + 1.000Fe+2 + 2.000Mg+2 + 0.340Na+ + 3.660H4SiO4 + 1.657H2O log_k 23.900 delta_h -227.112 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.4828296E+3 -3.2741511E-1 1.5859911E+5 8.7956328E+2 -9.2465149E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hsaponite(K) K0.34Mg3Al0.34Si3.66O10(OH)2:4.061H2O + 7.360H+ = 0.340Al+3 + 0.340K+ + 3.000Mg+2 + 3.660H4SiO4 + 1.421H2O log_k 26.701 delta_h -234.210 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.4960689E+3 -3.2868265E-1 1.5980478E+5 8.8475231E+2 -9.2878251E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hsaponite(Mg) Mg3.17Al0.34Si3.66O10(OH)2:5.039H2O + 7.360H+ = 0.340Al+3 + 3.170Mg+2 + 3.660H4SiO4 + 2.399H2O log_k 25.687 delta_h -241.078 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.5180517E+3 -3.3201086E-1 1.6114769E+5 8.9203526E+2 -9.338036E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hsaponite(Na) Na0.34Mg3Al0.34Si3.66O10(OH)2:4.297H2O + 7.360H+ = 0.340Al+3 + 3.000Mg+2 + 0.340Na+ + 3.660H4SiO4 + 1.657H2O log_k 26.687 delta_h -239.247 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.5139361E+3 -3.3043028E-1 1.6099033E+5 8.9077303E+2 -9.3322999E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Huntite CaMg3(CO3)4 + 4.000H+ = 4.000HCO3- + 1.000Ca+2 + 3.000Mg+2 log_k 11.014 delta_h -174.120 #kJ/mol #73hem/rob -analytic -3.6441403E+3 -5.8648344E-1 2.0445197E+5 1.3223404E+3 -1.1357533E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 73hem/rob; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Hvermiculite(Ca) Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.12H2O + 9.440H+ = 0.860Al+3 + 0.430Ca+2 + 3.000Mg+2 + 3.140H4SiO4 + 3.560H2O log_k 37.372 delta_h -354.086 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.6984797E+3 -3.6909505E-1 1.7371045E+5 9.5805743E+2 -9.545486E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hvermiculite(K) K0.86Mg3.00Si3.14Al0.86O10(OH)2:3.319H2O + 9.440H+ = 0.860Al+3 + 0.860K+ + 3.000Mg+2 + 3.140H4SiO4 + 2.759H2O log_k 36.577 delta_h -326.110 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.6520265E+3 -3.6077621E-1 1.7024583E+5 9.4219214E+2 -9.4433014E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hvermiculite(Mg) Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.55H2O + 9.440H+ = 0.860Al+3 + 3.430Mg+2 + 3.140H4SiO4 + 3.990H2O log_k 35.859 delta_h -353.588 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.7266776E+3 -3.7215075E-1 1.7519919E+5 9.6756954E+2 -9.6285103E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hvermiculite(Na) Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.58H2O + 9.440H+ = 0.860Al+3 + 3.000Mg+2 + 0.860Na+ + 3.140H4SiO4 + 3.020H2O log_k 37.036 delta_h -341.580 #kJ/mol #15bla/vie, 11vie/bla -analytic -2.7035941E+3 -3.6614932E-1 1.7373928E+5 9.5973431E+2 -9.5762214E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie, 11vie/bla; S°: 15bla/vie, 11vie/bla; Cp: 15bla/vie, 11vie/bla; V°: 15bla/vie, 11vie/bla; Hydrocalumnite(Cr) (CaCrO4)Al2O3(CaO)3:15H2O + 12.000H+ = 2.000Al+3 + 4.000Ca+2 + 1.000CrO4-2 + 21.000H2O log_k 71.341 delta_h -541.448 #kJ/mol #01per/pal -analytic -4.020784E+3 -5.6965144E-1 2.3754631E+5 1.449328E+3 -1.0759208E+7 #References = LogK/DGf: 01per/pal; DHf/DHr: 01per/pal; S°: Internal calculation; V°: Default value; Hydrocerussite Pb3(CO3)2(OH)2 + 4.000H+ = 2.000HCO3- + 3.000Pb+2 + 2.000H2O log_k 2.750 delta_h -34.559 #kJ/mol #83san/bar -analytic -2.1379559E+3 -3.2181267E-1 1.1810256E+5 7.7407054E+2 -6.6537723E+6 #References = LogK/DGf: 84tay/lop; DHf/DHr: 83san/bar; S°: Internal calculation; V°: 63wyc; Hydromagnesite Mg5(OH)2(CO3)4:4H2O + 6.000H+ = 4.000HCO3- + 5.000Mg+2 + 6.000H2O log_k 31.000 delta_h -293.700 #kJ/mol #99kon/kon -analytic -4.0797202E+3 -6.4286834E-1 2.3339952E+5 1.479039E+3 -1.2464629E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 99kon/kon; S°: 99kon/kon; Cp: 78hel/del; V°: 78hel/del; Hydrophilite CaCl2 = 1.000Ca+2 + 2.000Cl- log_k 11.642 delta_h -81.770 #kJ/mol #87gar/par -analytic -1.5067232E+3 -2.4695162E-1 8.6377781E+4 5.4864355E+2 -4.9159099E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 87gar/par; S°: 87gar/par; Cp: 95rob/hem; V°: 95rob/hem; Hydrotalcite Mg4Al2O7:10H2O + 14.000H+ = 2.000Al+3 + 4.000Mg+2 + 17.000H2O log_k 73.757 delta_h -584.223 #kJ/mol #Internal calculation -analytic -2.490177E+3 -3.632725E-1 1.5928839E+5 8.9467068E+2 -6.7395607E+6 #References = LogK/DGf: 10bbla/bou; DHf/DHr: Internal calculation; S°: 10bbla/bou; Cp: 10bbla/bou; V°: 97tay; Hydrotalcite(CO3) Mg4Al2(OH)12(CO3):2H2O + 13.000H+ = 2.000Al+3 + 1.000HCO3- + 4.000Mg+2 + 14.000H2O log_k 61.203 delta_h -557.470 #kJ/mol #Internal calculation -analytic -3.0209635E+3 -4.5809237E-1 1.8727771E+5 1.0863848E+3 -8.6736802E+6 #References = LogK/DGf: 10bbla/bou; DHf/DHr: Internal calculation; S°: 10bbla/bou; Cp: 10bbla/bou; V°: 97tay; Hydroxichloride(Ca) CaOHCl + 1.000H+ = 1.000Ca+2 + 1.000Cl- + 1.000H2O log_k 13.195 delta_h -82.086 #kJ/mol #Internal calculation -analytic -9.2891866E+2 -1.5120323E-1 5.4580853E+4 3.3845178E+2 -2.9643626E+6 #References = LogK/DGf: 97all/dol,06bod/las; DHf/DHr: Internal calculation; S°: 97all/dol,06bod/las; Cp: 97all/dol; V°: Default value; Hydroxichloride(Ca:13H2O) Ca4Cl2(OH)6:13H2O + 6.000H+ = 4.000Ca+2 + 2.000Cl- + 19.000H2O log_k 68.749 delta_h -271.930 #kJ/mol #82wag/eva -analytic -2.9147407E+3 -3.9689822E-1 1.672024E+5 1.0613318E+3 -7.5711313E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: 82wag/eva; S°: Internal calculation; V°: Default value; Hydroxichloride(Ca:H2O) CaCl(OH):H2O + 1.000H+ = 1.000Ca+2 + 1.000Cl- + 2.000H2O log_k 11.353 delta_h -63.609 #kJ/mol #Internal calculation -analytic -9.453468E+2 -1.5269202E-1 5.4384447E+4 3.4484186E+2 -2.9752984E+6 #References = LogK/DGf: 06bod/las; DHf/DHr: Internal calculation; S°: 06bod/las; Cp: 06bod/las; V°: Default value; Hydroxichloride(Mg:4H2O) Mg2Cl(OH)3:4H2O + 3.000H+ = 1.000Cl- + 2.000Mg+2 + 7.000H2O log_k 26.037 delta_h -154.690 #kJ/mol #82wag/eva -analytic -1.5369282E+3 -2.1415308E-1 8.9390619E+4 5.555252E+2 -4.2325222E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: 82wag/eva; S°: Internal calculation; V°: Default value; Hydroxyapatite(Natur) Ca5(PO4)3(OH) + 7.000H+ = 5.000Ca+2 + 3.000H2PO4- + 1.000H2O log_k 14.336 delta_h -178.396 #kJ/mol #Internal calculation -analytic -3.0901586E+3 -5.1247394E-1 1.732823E+5 1.1247363E+3 -9.5106697E+6 #References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 71par/wag; Cp: 60kel; V°: 95rob/hem; I/S(ISCz-1) (Ca0.092K0.439)(Si3.562Al0.438)(Al1.732Fe0.04Mg0.255)O10(OH)2 + 7.752H+ + 2.248H2O = 2.170Al+3 + 0.092Ca+2 + 0.029Fe+3 + 0.439K+ + 0.255Mg+2 + 3.562H4SiO4 + 0.011Fe+2 log_k 10.949 delta_h -217.166 #kJ/mol #19gai/bla -analytic -2.494898E+3 -3.5122636E-1 1.5520818E+5 8.8562811E+2 -9.0168998E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 19gai/bla; S°: 19gai/bla; Cp: 19gai/bla; V°: 14bla/gai; Illite(Al) K0.85Al2.85Si3.15O10(OH)2 + 9.400H+ + 0.600H2O = 2.850Al+3 + 0.850K+ + 3.150H4SiO4 log_k 13.037 delta_h -259.023 #kJ/mol #15bla/vie -analytic -2.5573928E+3 -3.6178396E-1 1.6000104E+5 9.0702444E+2 -9.1314491E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Illite(FeII) K0.85Fe0.25Al2.35Si3.4O10(OH)2 + 8.400H+ + 1.600H2O = 2.350Al+3 + 0.250Fe+2 + 0.850K+ + 3.400H4SiO4 log_k 9.472 delta_h -208.568 #kJ/mol #15bla/vie -analytic -2.4766309E+3 -3.437332E-1 1.5468507E+5 8.7765237E+2 -9.0602985E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Illite(FeIII) K0.85Fe0.25Al2.6Si3.15O10(OH)2 + 9.400H+ + 0.600H2O = 2.600Al+3 + 0.250Fe+3 + 0.850K+ + 3.150H4SiO4 log_k 12.382 delta_h -254.933 #kJ/mol #15bla/vie -analytic -2.5612909E+3 -3.617655E-1 1.5998574E+5 9.0836875E+2 -9.1347162E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Illite(IMt2) (Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.376Mg0.241)O10(OH)2 + 8.452H+ + 1.548H2O = 2.040Al+3 + 0.292Fe+3 + 0.762K+ + 0.241Mg+2 + 0.044Na+ + 3.387H4SiO4 + 0.084Fe+2 log_k 11.538 delta_h -222.904 #kJ/mol #12gai/bla -analytic -2.498976E+3 -3.5351343E-1 1.5505023E+5 8.8765243E+2 -8.939547E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 12gai/bla; S°: 12gai/bla; Cp: 12gai/bla; V°: 12gai/bla; Illite(Mg) K0.85Mg0.25Al2.35Si3.4O10(OH)2 + 8.400H+ + 1.600H2O = 2.350Al+3 + 0.850K+ + 0.250Mg+2 + 3.400H4SiO4 log_k 11.027 delta_h -217.718 #kJ/mol #15bla/vie -analytic -2.4845922E+3 -3.4448304E-1 1.5560095E+5 8.8044462E+2 -9.08168E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Ilmenite FeTiO3 + 2.000H+ + 1.000H2O = 1.000Fe+2 + 1.000Ti(OH)4 log_k 1.816 delta_h -87.445 #kJ/mol #Internal calculation -analytic -7.7719505E+2 -8.1479565E-2 4.34898E+4 2.7302259E+2 -1.612373E+6 #References = LogK/DGf: 95rob/hem; DHf/DHr: Internal calculation; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Imogolite Al2SiO3(OH)4 + 6.000H+ = 2.000Al+3 + 1.000H4SiO4 + 3.000H2O log_k 13.083 delta_h -203.551 #kJ/mol #82far/fra -analytic -1.4344023E+3 -2.0160715E-1 8.8284887E+4 5.0966175E+2 -4.4126001E+6 #References = LogK/DGf: 96su/har; DHf/DHr: 82far/fra; S°: Internal calculation; V°: 90rob/cam; Jacobsite Mn(FeO2)2 + 8.000H+ = 2.000Fe+3 + 1.000Mn+2 + 4.000H2O log_k 15.742 delta_h -236.318 #kJ/mol #73bar/kna -analytic -1.3488025E+3 -2.1350724E-1 8.1033524E+4 4.8425566E+2 -3.719726E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 73bar/kna; S°: 73bar/kna; Cp: 73bar/kna; V°: 73bar/kna; Jadeite NaAl(SiO3)2 + 4.000H+ + 2.000H2O = 1.000Al+3 + 1.000Na+ + 2.000H4SiO4 log_k 7.561 delta_h -95.502 #kJ/mol #95rob/hem -analytic -1.3237509E+3 -1.8118316E-1 8.2628986E+4 4.7016122E+2 -4.9060741E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 78hel/del; Jaffeite Ca6(Si2O7)(OH)6 + 12.000H+ = 6.000Ca+2 + 2.000H4SiO4 + 5.000H2O log_k 114.074 delta_h -632.100 #kJ/mol #10abla/bou -analytic -2.4008904E+3 -3.4132185E-1 1.6681355E+5 8.6659708E+2 -7.7429258E+6 #References = LogK/DGf: 10abla/bou; DHf/DHr: 10abla/bou; S°: Internal calculation; Cp: 10abla/bou; V°: 95ant/bid; Jarosite(Ag) AgFe3(SO4)2(OH)6 + 6.000H+ = 1.000Ag+ + 3.000Fe+3 + 2.000SO4-2 + 6.000H2O log_k -11.577 #References = LogK/DGf: 75kas/bor; #References = LogK/DGf: 75kas/bor; V°: Default value; Jarosite(Cr) KFe3(CrO4)2(OH)6 + 6.000H+ = 2.000CrO4-2 + 3.000Fe+3 + 1.000K+ + 6.000H2O log_k -17.945 delta_h -109.620 #kJ/mol #96bbar/pal -analytic -4.4406545E+3 -6.8309073E-1 2.4349472E+5 1.6013376E+3 -1.3575565E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 96bbar/pal; S°: 96bbar/pal; V°: Default value; Jarosite(H) (H3O)Fe3(SO4)2(OH)6 + 5.000H+ = 3.000Fe+3 + 2.000SO4-2 + 7.000H2O log_k -5.139 delta_h -196.290 #kJ/mol #04maj/ste -analytic -4.2610817E+3 -6.8268613E-1 2.3808458E+5 1.5398661E+3 -1.3276429E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 04maj/ste; S°: 04maj/ste; Cp: 04maj/ste; V°: 90rob/cam; Jarosite(K) KFe3(SO4)2(OH)6 + 6.000H+ = 3.000Fe+3 + 1.000K+ + 2.000SO4-2 + 6.000H2O log_k -10.994 delta_h -103.200 #kJ/mol #03dro/nav -analytic -4.1989081E+3 -6.8049573E-1 2.3005389E+5 1.5222608E+3 -1.3114957E+7 #References = LogK/DGf: 96abar/pal; DHf/DHr: 03dro/nav; S°: Internal calculation; Cp: 03dro/nav; V°: 76men/sab; Jarosite(Na) NaFe3(SO4)2(OH)6 + 6.000H+ = 3.000Fe+3 + 1.000Na+ + 2.000SO4-2 + 6.000H2O log_k 6.738 delta_h -247.900 #kJ/mol #93sto -analytic -4.2650991E+3 -6.8697004E-1 2.4071922E+5 1.5431623E+3 -1.3260549E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 93sto; S°: 93sto; Cp: 93sto; V°: 08bas/pet; Jarosite(NH4) NH4Fe3(SO4)2(OH)6 + 5.000H+ = 3.000Fe+3 + 1.000NH3 + 2.000SO4-2 + 6.000H2O log_k -19.022 #References = LogK/DGf: 75kas/bor; #References = LogK/DGf: 75kas/bor; V°: Default value; Jarosite(Pb) Pb0.5Fe3(SO4)2(OH)6 + 6.000H+ = 3.000Fe+3 + 0.500Pb+2 + 2.000SO4-2 + 6.000H2O log_k -11.448 #References = LogK/DGf: 75kas/bor; #References = LogK/DGf: 75kas/bor; V°: Default value; Jennite Ca9Si6H22O32 + 18.000H+ = 9.000Ca+2 + 6.000H4SiO4 + 8.000H2O log_k 147.338 delta_h -737.766 #kJ/mol #10abla/bou -analytic -4.8419783E+3 -6.4881272E-1 3.1938387E+5 1.7385166E+3 -1.6916851E+7 #References = LogK/DGf: 10abla/bou; DHf/DHr: 10abla/bou; S°: Internal calculation; Cp: 10abla/bou; V°: 92tay; K(element) K + 0.250O2 + 1.000H+ = 1.000K+ + 0.500H2O log_k 70.991 delta_h -392.022 #kJ/mol #By convention -analytic -1.03379E+2 -1.4987856E-2 2.6916111E+4 3.7746555E+1 -4.302278E+5 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; K2CO3 K2CO3 + 1.000H+ = 1.000HCO3- + 2.000K+ log_k 15.735 delta_h -46.500 #kJ/mol #74nau/ryz -analytic -7.255422E+2 -1.1522261E-1 4.2944247E+4 2.6626971E+2 -2.4243081E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 94pan; K2O K2O + 2.000H+ = 2.000K+ + 1.000H2O log_k 84.106 delta_h -426.940 #kJ/mol #98cha -analytic -1.5056958E+2 -2.16898E-2 3.1266668E+4 5.7417117E+1 -5.1573238E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 95rob/hem; K2SO4.FeSO4:6H2O K2Fe(SO4)2:6H2O = 1.000Fe+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O log_k -4.604 delta_h 152.806 #kJ/mol #Internal calculation -analytic -3.4430373E+3 -5.1582216E-1 1.817216E+5 1.2548949E+3 -1.0882961E+7 #References = LogK/DGf: 04chr; DHf/DHr: Internal calculation; S°: 78hel/del; V°: Default value; Kainite KMgClSO4:3H2O = 1.000Cl- + 1.000K+ + 1.000Mg+2 + 1.000SO4-2 + 3.000H2O log_k -0.187 delta_h -12.950 #kJ/mol #82wag/eva -analytic -2.5347833E+3 -3.8461077E-1 1.3926246E+5 9.183606E+2 -8.0220997E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: 82wag/eva; S°: Internal calculation; V°: 95rob/hem; Kalicinite KHCO3 = 1.000HCO3- + 1.000K+ log_k 0.267 delta_h 20.250 #kJ/mol #74nau/ryz -analytic -6.4282153E+2 -1.0327296E-1 3.462817E+4 2.351581E+2 -2.1465517E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: 74nau/ryz; S°: Internal calculation; Cp: 74nau/ryz; V°: 90rob/cam; Kalsilite(alpha) K(AlSi)O4 + 4.000H+ = 1.000Al+3 + 1.000K+ + 1.000H4SiO4 log_k 11.208 delta_h -118.038 #kJ/mol #78hel/del -analytic -9.1768479E+2 -1.3338074E-1 5.8042569E+4 3.2728043E+2 -3.1868141E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Kalsilite(beta) K(AlSi)O4 + 4.000H+ = 1.000Al+3 + 1.000K+ + 1.000H4SiO4 log_k 10.639 #delta_h 0.000 #kJ/mol -analytic -8.9890404E+2 -1.3148378E-1 5.715201E+4 3.2070339E+2 -3.2449468E+6 #References = LogK/DGf: Internal calculation; V°: Default value; Kaolinite Al2Si2O5(OH)4 + 6.000H+ = 2.000Al+3 + 2.000H4SiO4 + 1.000H2O log_k 6.483 delta_h -165.052 #kJ/mol #01fia/nav -analytic -1.6614047E+3 -2.40262E-1 1.0202166E+5 5.9067962E+2 -5.7121776E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 01fia/nav; S°: 91rob/hem; Cp: 91rob/hem; V°: 95rob/hem; KatoiteSi1 Ca3Al2(SiO4)1(OH)8 + 12.000H+ = 2.000Al+3 + 3.000Ca+2 + 1.000H4SiO4 + 8.000H2O log_k 71.168 delta_h -543.405 #kJ/mol #Internal calculation -analytic -2.1445204E+3 -3.249761E-1 1.4263205E+5 7.7064419E+2 -6.4642286E+6 #References = LogK/DGf: 10bbla/bou; DHf/DHr: Internal calculation; S°: 10bbla/bou; Cp: 10bbla/bou; V°: 10bbla/bou; KCl.MgCl2:6H2O KMgCl3:6H2O = 3.000Cl- + 1.000K+ + 1.000Mg+2 + 6.000H2O log_k 4.396 #References = LogK/DGf: 93bal/chr; #References = LogK/DGf: 93bal/chr; V°: 78hel/del; KH2PO4 KH2PO4 = 1.000K+ + 1.000H2PO4- log_k 0.278 delta_h 15.960 #kJ/mol #74nau/ryz -analytic -6.8356114E+2 -1.1018854E-1 3.6862322E+4 2.4991456E+2 -2.2527724E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 74nau/ryz; Cp: 74nau/ryz; V°: Default value; Kieserite MgSO4:H2O = 1.000Mg+2 + 1.000SO4-2 + 1.000H2O log_k -0.119 delta_h -51.464 #kJ/mol #Internal calculation -analytic -1.6964548E+3 -2.6749876E-1 9.5983219E+4 6.1318774E+2 -5.6120063E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: Internal calculation; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 63wyc; Kornelite Fe2(SO4)3:7H2O = 2.000Fe+3 + 3.000SO4-2 + 7.000H2O log_k -7.869 delta_h -134.630 #kJ/mol #02hem/sea -analytic -5.2076569E+3 -7.9238988E-1 2.8984213E+5 1.8785041E+3 -1.6385922E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 90rob/cam; Krausite(Cr) KFe(CrO4)2:2H2O = 2.000CrO4-2 + 1.000Fe+3 + 1.000K+ + 2.000H2O log_k -19.388 delta_h 27.540 #kJ/mol #98bar/pal -analytic -3.1373224E+3 -5.184778E-1 1.7153076E+5 1.1385318E+3 -1.0669098E+7 #References = LogK/DGf: 98bar/pal; DHf/DHr: 98bar/pal; S°: Internal calculation; Cp: 98bar/pal; V°: Default value; Kyanite Al2SiO5 + 6.000H+ = 2.000Al+3 + 1.000H4SiO4 + 1.000H2O log_k 15.936 delta_h -240.322 #kJ/mol #Internal calculation -analytic -1.3447799E+3 -2.0581745E-1 8.5324148E+4 4.7877192E+2 -4.3369481E+6 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; La2O3glass La2O3 + 6.000H+ = 2.000La+3 + 3.000H2O log_k 78.618 #References = LogK/DGf: 92plo/wic; #References = LogK/DGf: 92plo/wic; V°: Default value; Lammuchangite TlAl(SO4)2:12H2O = 1.000Al+3 + 2.000SO4-2 + 1.000Tl+ + 12.000H2O log_k -16.486 delta_h 37.510 #kJ/mol #09xio -analytic -3.1907615E+3 -5.0111308E-1 1.7407477E+5 1.1553265E+3 -1.057366E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 09xio; S°: 09xio; Cp: 84pan/stu; V°: 84pan/stu; Lanarkite Pb2SO5 + 2.000H+ = 2.000Pb+2 + 1.000SO4-2 + 1.000H2O log_k 2.631 delta_h -39.234 #kJ/mol #Internal calculation -analytic -1.9815301E+3 -3.0530151E-1 1.1138299E+5 7.1720646E+2 -6.4958171E+6 #References = LogK/DGf: 74nau/ryz; DHf/DHr: Internal calculation; S°: 74nau/ryz; V°: 74nau/ryz; Langite Cu4SO4(OH)6:H2O + 6.000H+ = 4.000Cu+2 + 1.000SO4-2 + 7.000H2O log_k 17.496 delta_h -163.966 #kJ/mol #Internal calculation -analytic -2.6805273E+3 -4.1268217E-1 1.5291727E+5 9.7032402E+2 -8.2516388E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 90rob/cam; Lansfordite MgCO3:5H2O + 1.000H+ = 1.000HCO3- + 1.000Mg+2 + 5.000H2O log_k 5.293 delta_h -11.810 #kJ/mol #99kon/kon -analytic -1.0339782E+3 -1.3957008E-1 5.5526821E+4 3.7431693E+2 -2.8069366E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 99kon/kon; S°: 99kon/kon; V°: 63wyc; Larnite(alpha) Ca2SiO4 + 4.000H+ = 2.000Ca+2 + 1.000H4SiO4 log_k 39.044 delta_h -238.161 #kJ/mol #95rob/hem -analytic -8.9908942E+2 -1.301379E-1 6.3335055E+4 3.2296168E+2 -3.0793446E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 78hel/del,60kel; Cp: 78hel/del,60kel; V°: 78hel/del,60kel; Larnite(beta) Ca2SiO4 + 4.000H+ = 2.000Ca+2 + 1.000H4SiO4 log_k 39.322 #delta_h 0.000 #kJ/mol -analytic -9.0365527E+2 -1.3027777E-1 6.4015139E+4 3.243254E+2 -3.1477489E+6 #References = LogK/DGf: Internal calculation; V°: Default value; Larnite(gamma) Ca2SiO4 + 4.000H+ = 2.000Ca+2 + 1.000H4SiO4 log_k 41.444 #delta_h 0.000 #kJ/mol -analytic -8.7896206E+2 -1.2907359E-1 6.3430487E+4 3.1585123E+2 -3.1477489E+6 #References = LogK/DGf: Internal calculation; V°: Default value; Laumontite Ca(Al2Si4)O12:4H2O + 8.000H+ = 2.000Al+3 + 1.000Ca+2 + 4.000H4SiO4 log_k 11.695 delta_h -204.244 #kJ/mol #96kis/nav -analytic -2.6447429E+3 -3.6684244E-1 1.6419074E+5 9.3900001E+2 -9.6343473E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 96kis/nav; S°: 09bla; Cp: 10vie; V°: 97coo/alb; Laurelite PbF2 = 2.000F- + 1.000Pb+2 log_k -7.522 delta_h 6.530 #kJ/mol #98cha -analytic -1.6567757E+3 -2.6526991E-1 9.0348124E+4 6.0072066E+2 -5.4339707E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 84pan; Laurionite PbClOH + 1.000H+ = 1.000Cl- + 1.000Pb+2 + 1.000H2O log_k 0.621 delta_h 6.285 #kJ/mol #Internal calculation -analytic -9.4122516E+2 -1.4578714E-1 5.1245015E+4 3.4241021E+2 -3.0077762E+6 #References = LogK/DGf: 99lot/och; DHf/DHr: Internal calculation; S°: 78ric/nri; V°: 90rob/cam; Laurite RuS2 + 0.750H2O = 1.000Ru+2 + 1.500HS- + 0.250S2O3-2 log_k -70.817 delta_h 373.889 #kJ/mol #Internal calculation -analytic -1.5922392E+3 -2.5764375E-1 6.7489717E+4 5.7815639E+2 -5.2209877E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; Leonhardtite MgSO4:4H2O = 1.000Mg+2 + 1.000SO4-2 + 4.000H2O log_k -0.886 delta_h -24.030 #kJ/mol #74nau/ryz -analytic -1.8009396E+3 -2.6450971E-1 9.9216758E+4 6.5010323E+2 -5.5554353E+6 #References = LogK/DGf: 80har/wea; DHf/DHr: 74nau/ryz; S°: Internal calculation; V°: 95rob/hem; Leonite K2Mg(SO4)2:4H2O = 2.000K+ + 1.000Mg+2 + 2.000SO4-2 + 4.000H2O log_k -3.976 delta_h 15.290 #kJ/mol #74nau/ryz -analytic -3.3213159E+3 -4.9919289E-1 1.8191661E+5 1.2025484E+3 -1.0632072E+7 #References = LogK/DGf: 84har/mol; DHf/DHr: 74nau/ryz; S°: Internal calculation; V°: 63wyc; Lepidocrocite FeOOH + 3.000H+ = 1.000Fe+3 + 2.000H2O log_k 1.849 delta_h -71.260 #kJ/mol #03maj/gre -analytic -4.7832566E+2 -7.6621598E-2 2.7558432E+4 1.7164011E+2 -1.2555405E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 03maj/gre; S°: 03maj/gre; Cp: 03maj/gre; V°: 63wyc; Libenthenite Cu2PO4OH + 3.000H+ = 2.000Cu+2 + 1.000H2PO4- + 1.000H2O log_k 6.872 #References = LogK/DGf: 84nri; #References = LogK/DGf: 84nri; V°: 63wyc; Lime CaO + 2.000H+ = 1.000Ca+2 + 1.000H2O log_k 32.701 delta_h -193.910 #kJ/mol #89cox/wag -analytic -2.8484757E+2 -4.5719864E-2 2.4808995E+4 1.0380296E+2 -7.8972712E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Linnaeite Co3S4 + 2.000H+ + 0.750H2O = 3.000Co+2 + 3.500HS- + 0.250S2O3-2 log_k -49.969 delta_h 195.951 #kJ/mol #95rob/hem -analytic -3.5226763E+3 -5.6829546E-1 1.8101478E+5 1.2781825E+3 -1.1357129E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 87pan/mah; V°: 95rob/hem; Litharge PbO + 2.000H+ = 1.000Pb+2 + 1.000H2O log_k 12.632 delta_h -65.501 #kJ/mol #98cha -analytic -3.7745355E+2 -6.0261596E-2 2.3503756E+4 1.3816402E+2 -1.1251442E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 97asho/sas; Lizardite Mg3Si2O5(OH)4 + 6.000H+ = 3.000Mg+2 + 2.000H4SiO4 + 1.000H2O log_k 33.093 delta_h -242.552 #kJ/mol #04eva -analytic -1.8045338E+3 -2.475614E-1 1.1546724E+5 6.4405193E+2 -6.1786442E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 04eva; S°: 04eva; Cp: 95rob/hem; V°: 95rob/hem; Loellingite FeAs2 + 2.000H+ + 2.000H2O = 2.000AsH3 + 1.000Fe+2 + 1.000O2 log_k -119.078 delta_h 691.640 #kJ/mol #Internal calculation -analytic 1.8913297E+2 2.9442437E-2 -5.0784902E+4 -6.5254355E+1 1.3166945E+6 #References = LogK/DGf: 08per/pok; DHf/DHr: Internal calculation; S°: 08per/pok; Cp: 08per/pok; V°: 08per/pok; Mackinawite FeS + 1.000H+ = 1.000Fe+2 + 1.000HS- log_k -3.540 delta_h -10.805 #kJ/mol #Internal calculation -analytic -9.7649376E+2 -1.5351306E-1 5.3325155E+4 3.5339847E+2 -3.0749343E+6 #References = LogK/DGf: 08bla; DHf/DHr: Internal calculation; S°: 08bla; V°: 63wyc; Maghemite(disordered) Fe2O3 + 6.000H+ = 2.000Fe+3 + 3.000H2O log_k 2.840 delta_h -147.390 #kJ/mol #03maj/gre -analytic -9.4710744E+2 -1.5337346E-1 5.4980194E+4 3.3936381E+2 -2.5301239E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 03maj/gre; S°: 03maj/gre; Cp: 03maj/gre; V°: 63wyc; Magnesiochromite MgCr2O4 + 8.000H+ = 2.000Cr+3 + 1.000Mg+2 + 4.000H2O log_k 22.180 delta_h -307.720 #kJ/mol #95rob/hem -analytic -1.3851604E+3 -2.1817938E-1 8.6553199E+4 4.9517316E+2 -3.8387458E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Magnesioferrite MgFe2O4 + 8.000H+ = 2.000Fe+3 + 1.000Mg+2 + 4.000H2O log_k 19.257 delta_h -270.279 #kJ/mol #73bar/kna -analytic -1.3893653E+3 -2.1583905E-1 8.541145E+4 4.9718785E+2 -3.8896199E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 73bar/kna; S°: 73bar/kna; Cp: 73bar/kna; V°: 73bar/kna; Magnesite(Natur) MgCO3 + 1.000H+ = 1.000HCO3- + 1.000Mg+2 log_k 1.415 delta_h -38.990 #kJ/mol #99kon/kon -analytic -9.327102E+2 -1.4911589E-1 5.208943E+4 3.380952E+2 -2.9085567E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 99kon/kon; S°: 99kon/kon; Cp: 95rob/hem; V°: 78hel/del; Magnesite(Synth) MgCO3 + 1.000H+ = 1.000HCO3- + 1.000Mg+2 log_k 2.227 delta_h -43.630 #kJ/mol #95rob/hem -analytic -9.3271072E+2 -1.4911589E-1 5.2331793E+4 3.380952E+2 -2.9085567E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 78hel/del; Magnetite Fe3O4 + 8.000H+ = 2.000Fe+3 + 1.000Fe+2 + 4.000H2O log_k 10.362 delta_h -215.594 #kJ/mol #90hem -analytic -1.3520774E+3 -2.1498134E-1 8.0017747E+4 4.8502632E+2 -3.7344997E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 90hem; S°: 90hem; Cp: 90hem; V°: 78hel/del; Magnetite(am) Fe3O4 + 8.000H+ = 2.000Fe+3 + 1.000Fe+2 + 4.000H2O log_k 14.594 delta_h -239.752 #kJ/mol #Internal calculation -analytic -1.3520774E+3 -2.1498134E-1 8.127961E+4 4.8502632E+2 -3.7344997E+6 #References = LogK/DGf: 98bre/lin; DHf/DHr: Internal calculation; S°: 90hem; Cp: 90hem; V°: 78hel/del; Malachite Cu2(OH)2(CO3) + 3.000H+ = 1.000HCO3- + 2.000Cu+2 + 2.000H2O log_k 5.172 delta_h -65.926 #kJ/mol #Internal calculation -analytic -1.2854962E+3 -2.0294982E-1 7.1071353E+4 4.6679919E+2 -3.7567222E+6 #References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 78hel/del; Manganosite MnO + 2.000H+ = 1.000Mn+2 + 1.000H2O log_k 18.357 delta_h -121.934 #kJ/mol #Internal calculation -analytic -3.2766336E+2 -5.056928E-2 2.3347901E+4 1.1844095E+2 -9.1431959E+5 #References = LogK/DGf: 78hel/del,82wag/eva; DHf/DHr: Internal calculation; S°: 78hel/del,82wag/eva; Cp: 78hel/del,82wag/eva; V°: 78hel/del,82wag/eva; Mansfieldite AlAsO4:2H2O + 2.000H+ = 1.000Al+3 + 1.000H2AsO4- + 2.000H2O log_k -2.738 #References = LogK/DGf: 01gas/aza; #References = LogK/DGf: 01gas/aza; V°: 00bla/bid; Marcassite FeS2 + 0.750H2O = 1.000Fe+2 + 1.500HS- + 0.250S2O3-2 log_k -22.862 delta_h 103.451 #kJ/mol #76gro/wes -analytic -1.5907157E+3 -2.5758554E-1 8.1459617E+4 5.7789197E+2 -5.2020274E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 76gro/wes; S°: 76gro/wes; Cp: 95rob/hem; V°: 95rob/hem; Margarite CaAl2(Al2Si2)O10(OH)2 + 14.000H+ = 4.000Al+3 + 1.000Ca+2 + 2.000H4SiO4 + 4.000H2O log_k 37.000 delta_h -513.642 #kJ/mol #95rob/hem -analytic -2.9900115E+3 -4.5742401E-1 1.8786785E+5 1.0668773E+3 -9.4793863E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Massicot PbO + 2.000H+ = 1.000Pb+2 + 1.000H2O log_k 12.744 delta_h -66.848 #kJ/mol #98cha -analytic -3.6351679E+2 -5.7235197E-2 2.2991772E+4 1.327999E+2 -1.1017698E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 97asho/sas; Melanothallite CuCl2 = 1.000Cu+2 + 2.000Cl- log_k 3.730 delta_h -48.709 #kJ/mol #Internal calculation -analytic -1.5642954E+3 -2.5355582E-1 8.7639599E+4 5.6848225E+2 -5.0663809E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 98cha; Cp: 98cha; V°: 84pan/stu; Melanterite FeSO4:7H2O = 1.000Fe+2 + 1.000SO4-2 + 7.000H2O log_k -2.312 delta_h 12.450 #kJ/mol #95par/kho -analytic -1.8027011E+3 -2.5441513E-1 9.6927317E+4 6.5116352E+2 -5.3437468E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95par/kho; S°: 95par/kho; V°: 95rob/hem; Mercallite KHSO4 = 1.000K+ + 1.000SO4-2 + 1.000H+ log_k -1.400 delta_h -0.590 #kJ/mol #74nau/ryz -analytic -1.38445E+3 -2.2459036E-1 7.7601709E+4 5.0277305E+2 -4.8309052E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: 74nau/ryz; S°: Internal calculation; Cp: 74nau/ryz; V°: 63wyc; Merlinoite(K) K1.04Al1.04Si1.96O6:1.69H2O + 4.160H+ + 0.150H2O = 1.040Al+3 + 1.040K+ + 1.960H4SiO4 log_k 9.484 delta_h -101.054 #kJ/mol #09bla -analytic -1.2577118E+3 -1.6847568E-1 7.978458E+4 4.4582039E+2 -4.74026E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 09bla; S°: 09bla; Cp: 09bla; V°: 97coo/alb; Merlinoite(Na) Na1.04Al1.04Si1.96O6:2.27H2O + 4.160H+ = 1.040Al+3 + 1.040Na+ + 1.960H4SiO4 + 0.430H2O log_k 10.301 delta_h -110.734 #kJ/mol #09bla -analytic -1.3169697E+3 -1.7554408E-1 8.3524532E+4 4.6666888E+2 -4.9135999E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 09bla; S°: 09bla; Cp: 09bla; V°: 97coo/alb; Merwinite Ca3Mg(SiO4)2 + 8.000H+ = 3.000Ca+2 + 1.000Mg+2 + 2.000H4SiO4 log_k 69.285 delta_h -449.547 #kJ/mol #Internal calculation -analytic -1.8969057E+3 -2.7166913E-1 1.3072527E+5 6.7957207E+2 -6.4734374E+6 #References = LogK/DGf: 78hel/del,92ajoh; DHf/DHr: Internal calculation; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh; Metacinnabar HgS + 0.375H2O = 0.500Hg2+2 + 0.750HS- + 0.125S2O3-2 log_k -26.850 delta_h 146.269 #kJ/mol #Internal calculation -analytic -7.4104658E+2 -1.1971387E-1 3.278079E+4 2.6955896E+2 -2.405793E+6 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Mg(element) Mg + 0.500O2 + 2.000H+ = 1.000Mg+2 + 1.000H2O log_k 122.773 delta_h -746.763 #kJ/mol #89cox/wag -analytic -4.3311436E+2 -6.6018737E-2 6.2651382E+4 1.5416155E+2 -1.4245392E+6 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Mg3(PO4)2:22H2O Mg3(PO4)2:22H2O + 4.000H+ = 3.000Mg+2 + 2.000H2PO4- + 22.000H2O log_k 16.022 #References = LogK/DGf: 63tay/fra; #References = LogK/DGf: 63tay/fra; V°: 63wyc; MgCl2.FeCl2:8H2O MgFeCl4:8H2O = 4.000Cl- + 1.000Fe+2 + 1.000Mg+2 + 8.000H2O log_k 8.598 #References = LogK/DGf: 04chr; #References = LogK/DGf: 04chr; V°: Default value; MgHPO4 MgHPO4 + 1.000H+ = 1.000Mg+2 + 1.000H2PO4- log_k -5.815 #References = LogK/DGf: 70web/rac; #References = LogK/DGf: 70web/rac; V°: Default value; MgSO4 MgSO4 = 1.000Mg+2 + 1.000SO4-2 log_k 9.104 delta_h -114.550 #kJ/mol #98cha -analytic -1.6958699E+3 -2.6892242E-1 9.9244946E+4 6.1254845E+2 -5.6382331E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 94pan; Microcline K(AlSi3)O8 + 4.000H+ + 4.000H2O = 1.000Al+3 + 1.000K+ + 3.000H4SiO4 log_k 0.015 delta_h -49.203 #kJ/mol #95rob/hem -analytic -1.6018728E+3 -2.1339241E-1 9.9207574E+4 5.6723025E+2 -6.2943433E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Mimetite Pb5(AsO4)3Cl + 6.000H+ = 3.000H2AsO4- + 1.000Cl- + 5.000Pb+2 log_k -19.800 #References = LogK/DGf: 01gas/aza; #References = LogK/DGf: 01gas/aza; V°: 00bla/bid; Minium Pb3O4 + 6.000H+ = 3.000Pb+2 + 0.500O2 + 3.000H2O log_k 30.534 delta_h -142.109 #kJ/mol #98cha -analytic -8.015252E+2 -1.2285091E-1 5.0264712E+4 2.9359866E+2 -2.3461313E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 82pan; Minnesotaite Fe3Si4O10(OH)2 + 6.000H+ + 4.000H2O = 3.000Fe+2 + 4.000H4SiO4 log_k 14.940 delta_h -139.134 #kJ/mol #83miy/kle -analytic -2.3397027E+3 -3.1209647E-1 1.4691034E+5 8.3066215E+2 -8.9306193E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 83miy/kle; S°: 83miy/kle; Cp: 83miy/kle; V°: 83miy/kle; Mirabilite Na2SO4:10H2O = 2.000Na+ + 1.000SO4-2 + 10.000H2O log_k -1.220 delta_h 79.471 #kJ/mol #Internal calculation -analytic -1.5883646E+3 -2.3177636E-1 8.4305192E+4 5.7822353E+2 -5.0925784E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: Internal calculation; S°: 95rob/hem; Cp: 74nau/ryz; V°: 63wyc; Mn3(PO4)2 Mn3(PO4)2 + 4.000H+ = 3.000Mn+2 + 2.000H2PO4- log_k 0.817 #References = LogK/DGf: 76plu/jon; #References = LogK/DGf: 76plu/jon; V°: Default value; MnHPO4 MnHPO4 + 1.000H+ = 1.000Mn+2 + 1.000H2PO4- log_k -4.119 #References = LogK/DGf: 69wag/eva; #References = LogK/DGf: 69wag/eva; V°: Default value; Monetite CaHPO4 + 1.000H+ = 1.000Ca+2 + 1.000H2PO4- log_k 0.300 delta_h -24.098 #kJ/mol #Internal calculation -analytic -8.7069488E+2 -1.4527553E-1 4.7592522E+4 3.1728589E+2 -2.7041882E+6 #References = LogK/DGf: 84nan; DHf/DHr: Internal calculation; S°: 84nan; Cp: 70gre/mor, after 64a,bega/wak; V°: 84nri; Monocarboaluminate Ca4Al2CO9:10.68H2O + 13.000H+ = 2.000Al+3 + 1.000HCO3- + 4.000Ca+2 + 16.680H2O log_k 80.567 delta_h -530.628 #kJ/mol #61ber/new -analytic -2.7332194E+3 -4.22965E-1 1.7042075E+5 9.9220207E+2 -7.7194996E+6 #References = LogK/DGf: 10bbla/bou; DHf/DHr: 61ber/new; S°: Internal calculation; Cp: 10bbla/bou; V°: 97tay; Monohydrocalcite CaCO3:H2O + 1.000H+ = 1.000HCO3- + 1.000Ca+2 + 1.000H2O log_k 2.728 delta_h -20.470 #kJ/mol #73hul/tur -analytic -9.0250204E+2 -1.374825E-1 4.9363013E+4 3.2772564E+2 -2.6916597E+6 #References = LogK/DGf: 73hul/tur; DHf/DHr: 73hul/tur; S°: Internal calculation; V°: 95rob/hem; Monosulfate(Fe) Ca4Fe2SO10:12H2O + 12.000H+ = 4.000Ca+2 + 2.000Fe+3 + 1.000SO4-2 + 18.000H2O log_k 66.068 delta_h -477.608 #kJ/mol #Internal calculation -analytic -3.4469231E+3 -5.3737284E-1 2.0816052E+5 1.2491877E+3 -1.031149E+7 #References = LogK/DGf: 10bbla/bou; DHf/DHr: Internal calculation; S°: 10bbla/bou; Cp: 10bbla/bou; V°: 97tay; Monosulfoaluminate Ca4Al2SO10:12H2O + 12.000H+ = 2.000Al+3 + 4.000Ca+2 + 1.000SO4-2 + 18.000H2O log_k 73.088 delta_h -539.403 #kJ/mol #10bbla/bou -analytic -3.5426334E+3 -5.7054376E-1 2.1351144E+5 1.2875254E+3 -1.0328468E+7 #References = LogK/DGf: 10bbla/bou; DHf/DHr: 10bbla/bou; S°: Internal calculation; Cp: 79ede/sat; V°: 97tay; Monteponite CdO + 2.000H+ = 1.000Cd+2 + 1.000H2O log_k 15.105 delta_h -103.400 #kJ/mol #89cox/wag -analytic -3.1106128E+2 -4.7317585E-2 2.1589627E+4 1.1222264E+2 -8.7346579E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 77bar/kna; V°: 95rob/hem; Monticellite CaMgSiO4 + 4.000H+ = 1.000Ca+2 + 1.000Mg+2 + 1.000H4SiO4 log_k 30.091 delta_h -206.036 #kJ/mol #Internal calculation -analytic -9.9945187E+2 -1.4199681E-1 6.7213519E+4 3.5752371E+2 -3.3979475E+6 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Montmorillonite(HcCa) Ca0.3Mg0.6Al1.4Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.400Al+3 + 0.300Ca+2 + 0.600Mg+2 + 4.000H4SiO4 log_k 6.903 delta_h -154.564 #kJ/mol #15bla/vie -analytic -2.3616529E+3 -3.1379357E-1 1.4899818E+5 8.3431323E+2 -9.0744862E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Montmorillonite(HcK) K0.6Mg0.6Al1.4Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.400Al+3 + 0.600K+ + 0.600Mg+2 + 4.000H4SiO4 log_k 4.449 delta_h -119.628 #kJ/mol #15bla/vie -analytic -2.3324885E+3 -3.0832834E-1 1.4605682E+5 8.2462838E+2 -9.022722E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Montmorillonite(HcMg) Mg0.3Mg0.6Al1.4Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.400Al+3 + 0.900Mg+2 + 4.000H4SiO4 log_k 5.996 delta_h -156.964 #kJ/mol #15bla/vie -analytic -2.3909331E+3 -3.1726069E-1 1.5070041E+5 8.4429278E+2 -9.163021E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Montmorillonite(HcNa) Na0.6Mg0.6Al1.4Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.400Al+3 + 0.600Mg+2 + 0.600Na+ + 4.000H4SiO4 log_k 5.472 delta_h -135.658 #kJ/mol #15bla/vie -analytic -2.3671642E+3 -3.1193536E-1 1.486659E+5 8.3634354E+2 -9.1085654E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Montmorillonite(MgCa) Ca0.17Mg0.34Al1.66Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.660Al+3 + 0.170Ca+2 + 0.340Mg+2 + 4.000H4SiO4 log_k 4.222 delta_h -146.668 #kJ/mol #15bla/vie -analytic -2.3648299E+3 -3.1580182E-1 1.4861699E+5 8.3532612E+2 -9.0862785E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Montmorillonite(MgK) K0.34Mg0.34Al1.66Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.660Al+3 + 0.340K+ + 0.340Mg+2 + 4.000H4SiO4 log_k 2.830 delta_h -126.865 #kJ/mol #15bla/vie -analytic -2.3483045E+3 -3.1270489E-1 1.4694997E+5 8.2983827E+2 -9.056946E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Montmorillonite(MgMg) Mg0.17Mg0.34Al1.66Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.660Al+3 + 0.510Mg+2 + 4.000H4SiO4 log_k 3.708 delta_h -148.028 #kJ/mol #15bla/vie -analytic -2.3814282E+3 -3.1776702E-1 1.4958186E+5 8.4098328E+2 -9.1364559E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Montmorillonite(MgNa) Na0.34Mg0.34Al1.66Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.660Al+3 + 0.340Mg+2 + 0.340Na+ + 4.000H4SiO4 log_k 3.411 delta_h -135.953 #kJ/mol #15bla/vie -analytic -2.3679565E+3 -3.1474933E-1 1.4842879E+5 8.3647775E+2 -9.1055977E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Moorhouseite CoSO4:6H2O = 1.000Co+2 + 1.000SO4-2 + 6.000H2O log_k -2.192 delta_h 1.570 #kJ/mol #74nau/ryz -analytic -1.7907128E+3 -2.5657242E-1 9.6944118E+4 6.4674796E+2 -5.3753538E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 74nau/ryz; V°: 94pan; MordeniteB(Ca) Ca0.515Al1.03Si4.97O12:3.1H2O + 4.120H+ + 4.780H2O = 1.030Al+3 + 0.515Ca+2 + 4.970H4SiO4 log_k -2.898 delta_h -56.278 #kJ/mol #09bla -analytic -2.3577543E+3 -2.9682032E-1 1.4847577E+5 8.2993876E+2 -9.6241393E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 09bla; S°: 09bla; Cp: 10vie; V°: 95rob/hem; MordeniteJ Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O + 3.760H+ + 4.772H2O = 0.940Al+3 + 0.289Ca+2 + 0.362Na+ + 5.060H4SiO4 log_k -4.160 delta_h -29.442 #kJ/mol #92joh/tas -analytic -2.3112502E+3 -2.9430315E-1 1.4403365E+5 8.1541676E+2 -9.418252E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 92joh/tas; S°: 92joh/tas; Cp: 92joh/tas; V°: 92joh/tas; MSH06 Mg0.82SiO2.385(OH)0.87 + 1.640H+ + 0.745H2O = 0.820Mg+2 + 1.000H4SiO4 log_k 9.119 delta_h -68.719 #kJ/mol #Internal calculation -analytic -6.5663083E+2 -8.4167939E-2 4.2529241E+4 2.3260872E+2 -2.4333819E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; MSH12 Mg1.07SiO2.075(OH)1.99 + 2.140H+ = 1.070Mg+2 + 1.000H4SiO4 + 0.065H2O log_k 12.730 delta_h -81.218 #kJ/mol #Internal calculation -analytic -7.6313186E+2 -9.8017026E-2 4.8779471E+4 2.7151823E+2 -2.7001912E+6 #References = LogK/DGf: 18roo/vie; DHf/DHr: Internal calculation; S°: 18roo/vie; Cp: 18roo/vie; V°: 18roo/vie; Mullite Al6Si2O13 + 18.000H+ = 6.000Al+3 + 2.000H4SiO4 + 5.000H2O log_k 50.510 delta_h -758.072 #kJ/mol #95rob/hem -analytic -3.6870561E+3 -5.7421808E-1 2.3549563E+5 1.3126483E+3 -1.1480522E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Muscovite(disordered) KAl2(AlSi3)O10(OH)2 + 10.000H+ = 3.000Al+3 + 1.000K+ + 3.000H4SiO4 log_k 14.016 delta_h -269.123 #kJ/mol #95has/cyg -analytic -2.5862792E+3 -3.7607072E-1 1.5986956E+5 9.2024545E+2 -8.9668534E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95has/cyg; S°: 76rob/hem; Cp: 76rob/hem; V°: 95rob/hem; Muscovite(ordered) KAl2(AlSi3)O10(OH)2 + 10.000H+ = 3.000Al+3 + 1.000K+ + 3.000H4SiO4 log_k 11.353 delta_h -253.923 #kJ/mol #06bla/pia -analytic -2.5862792E+3 -3.7607072E-1 1.5907562E+5 9.2024545E+2 -8.9668534E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 06bla/pia; S°: 76rob/hem; Cp: 76rob/hem; V°: 95rob/hem; Na(element) Na + 0.250O2 + 1.000H+ = 1.000Na+ + 0.500H2O log_k 67.390 delta_h -380.222 #kJ/mol #By convention -analytic -1.7220031E+2 -2.3093547E-2 2.9895625E+4 6.1852278E+1 -6.0843298E+5 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Na2CO3 Na2CO3 + 1.000H+ = 1.000HCO3- + 2.000Na+ log_k 11.449 delta_h -41.410 #kJ/mol #95rob/hem -analytic -8.4894024E+2 -1.2888909E-1 4.9144859E+4 3.0909685E+2 -2.7428181E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 98cha; V°: 95rob/hem; Na2CO3:7H2O Na2CO3:7H2O + 1.000H+ = 1.000HCO3- + 2.000Na+ + 7.000H2O log_k 9.874 delta_h 27.981 #kJ/mol #Internal calculation -analytic -1.0930495E+3 -1.3426028E-1 5.7027772E+4 3.9744299E+2 -2.8237438E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value; Na2HPO4 Na2HPO4 + 1.000H+ = 2.000Na+ + 1.000H2PO4- log_k 9.240 delta_h -35.180 #kJ/mol #82wag/eva -analytic -8.4128991E+2 -1.2884794E-1 4.834671E+4 3.0612661E+2 -2.7290563E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 67and/cou; Cp: 67and/cou; V°: 84nri; Na2O Na2O + 2.000H+ = 2.000Na+ + 1.000H2O log_k 67.458 delta_h -351.710 #kJ/mol #95rob/hem -analytic -2.7083762E+2 -3.4494312E-2 3.3535999E+4 9.9078094E+1 -8.0561224E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Na2SO4.FeSO4:4H2O Na2Fe(SO4)2:4H2O = 1.000Fe+2 + 2.000Na+ + 2.000SO4-2 + 4.000H2O log_k -3.206 #References = LogK/DGf: 04chr; #References = LogK/DGf: 04chr; V°: Default value; Na3PO4 Na3PO4 + 2.000H+ = 3.000Na+ + 1.000H2PO4- log_k 23.521 delta_h -106.220 #kJ/mol #74nau/ryz -analytic -1.0219976E+3 -1.5431636E-1 6.2024517E+4 3.7196804E+2 -3.2813724E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 67and/cou; Cp: 67and/cou; V°: Default value; NaFeS2 NaFeS2 + 0.875H+ + 0.500H2O = 1.000Fe+2 + 1.000Na+ + 1.875HS- + 0.125SO4-2 log_k -1.228 delta_h -13.555 #kJ/mol #14las/pia -analytic -1.8421177E+3 -2.9269387E-1 1.0159357E+5 6.688121E+2 -6.0022879E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 14las/pia; S°: 14las/pia; Cp: 14las/pia; V°: Default value; NaH2PO4 NaH2PO4 = 1.000Na+ + 1.000H2PO4- log_k 2.301 delta_h -6.140 #kJ/mol #82wag/eva -analytic -7.3924322E+2 -1.1613394E-1 4.0935497E+4 2.6908466E+2 -2.3967148E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 67and/cou; Cp: 67and/cou; V°: Default value; Nahcolite NaHCO3 = 1.000HCO3- + 1.000Na+ log_k -0.413 delta_h 18.730 #kJ/mol #82van -analytic -7.1133666E+2 -1.1020588E-1 3.828212E+4 2.5918687E+2 -2.3075259E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: 82van; S°: Internal calculation; Cp: 74nau/ryz; V°: 95rob/hem; Nantokite CuCl = 1.000Cl- + 1.000Cu+ log_k -6.800 delta_h 41.847 #kJ/mol #Internal calculation -analytic -7.2286429E+2 -1.1683546E-1 3.6968085E+4 2.637667E+2 -2.290454E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu; Natrolite Na2(Al2Si3)O10:2H2O + 8.000H+ = 2.000Al+3 + 2.000Na+ + 3.000H4SiO4 log_k 19.326 delta_h -215.463 #kJ/mol #83joh/flo -analytic -2.303612E+3 -3.1993458E-1 1.4352482E+5 8.1980235E+2 -8.1431211E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 83joh/flo; S°: 83joh/flo; Cp: 83joh/flo; V°: 95rob/hem; Natron Na2CO3:10H2O + 1.000H+ = 1.000HCO3- + 2.000Na+ + 10.000H2O log_k 9.507 delta_h 50.170 #kJ/mol #Internal calculation -analytic -9.7679183E+2 -1.3449576E-1 5.0830177E+4 3.5873581E+2 -2.8227861E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: Internal calculation; S°: 74nau/ryz; Cp: 74nau/ryz; V°: Default value; Nepheline Na(AlSi)O4 + 4.000H+ = 1.000Al+3 + 1.000Na+ + 1.000H4SiO4 log_k 14.077 delta_h -144.506 #kJ/mol #Internal calculation -analytic -9.7409139E+2 -1.3955693E-1 6.2423687E+4 3.467383E+2 -3.3400695E+6 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Nesquehonite(alpha) MgCO3:3H2O + 1.000H+ = 1.000HCO3- + 1.000Mg+2 + 3.000H2O log_k 5.234 delta_h -37.120 #kJ/mol #73rob/hem -analytic -3.106996E+3 -5.6863644E-1 1.5082727E+5 1.1555717E+3 -7.4221439E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 73rob/hem; S°: 72rob/hem; Cp: 78hel/del; V°: 78hel/del; Nesquehonite(beta) MgCO3:3H2O + 1.000H+ = 1.000HCO3- + 1.000Mg+2 + 3.000H2O log_k 5.238 #delta_h 0.000 #kJ/mol -analytic -9.6246266E+2 -1.5254091E-1 5.3323715E+4 3.504019E+2 -2.9080803E+6 #References = LogK/DGf: Internal calculation; V°: Default value; Newberyite MgHPO4:3H2O + 1.000H+ = 1.000Mg+2 + 1.000H2PO4- + 3.000H2O log_k 1.413 #References = LogK/DGf: 01wen/mus; #References = LogK/DGf: 01wen/mus; V°: 84nri; Ni(alpha) Ni + 0.500O2 + 2.000H+ = 1.000Ni+2 + 1.000H2O log_k 50.944 delta_h -339.263 #kJ/mol #By convention -analytic -4.174024E+2 -6.5506473E-2 4.0498606E+4 1.486164E+2 -1.395407E+6 #References = LogK/DGf: Internal calculation; S°: 78hel/del; Cp: 98cha; V°: 78hel/del; Ni(OH)2 Ni(OH)2 + 2.000H+ = 1.000Ni+2 + 2.000H2O log_k 11.672 delta_h -82.100 #kJ/mol #10pal/gam -analytic -3.2916428E+2 -5.110766E-2 2.1713318E+4 1.189204E+2 -9.7903196E+5 #References = LogK/DGf: 10pal/gam; DHf/DHr: 10pal/gam; S°: Internal calculation; Cp: 10pal/gam; V°: 04roi; Ni11As8 Ni11As8 + 22.000H+ + 1.000H2O = 11.000Ni+2 + 8.000AsH3 + 0.500O2 log_k -220.274 delta_h 913.615 #kJ/mol #05gam/bug -analytic -2.4033234E+3 -3.7939392E-1 6.5947045E+4 8.6274011E+2 -5.3172488E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: Default value; Ni2SiO4 Ni2SiO4 + 4.000H+ = 2.000Ni+2 + 1.000H4SiO4 log_k 19.544 delta_h -181.861 #kJ/mol #05gam/bug -analytic -1.0540534E+3 -1.5033032E-1 6.8937158E+4 3.7498951E+2 -3.6166446E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi; Ni3(AsO3)2 Ni3(AsO3)2 + 4.000H+ = 2.000H2AsO3- + 3.000Ni+2 log_k 9.884 #References = LogK/DGf: 05gam/bug; #References = LogK/DGf: 05gam/bug; V°: Default value; Ni3(AsO4)2:8H2O Ni3(AsO4)2:8H2O + 4.000H+ = 2.000H2AsO4- + 3.000Ni+2 + 8.000H2O log_k 8.479 delta_h -105.439 #kJ/mol #05gam/bug -analytic -2.4131791E+3 -3.4422466E-1 1.3257814E+5 8.7084587E+2 -6.6876022E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; V°: Default value; Ni3S2 Ni3S2 + 0.500O2 + 4.000H+ = 3.000Ni+2 + 2.000HS- + 1.000H2O log_k 25.556 delta_h -273.663 #kJ/mol #05gam/bug -analytic -2.3714699E+3 -3.7830592E-1 1.4299917E+5 8.5539557E+2 -7.6825603E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi; Ni5As2 Ni5As2 + 1.000O2 + 10.000H+ = 5.000Ni+2 + 2.000AsH3 + 2.000H2O log_k 49.272 delta_h -476.089 #kJ/mol #05gam/bug -analytic -1.5917824E+3 -2.5006838E-1 1.0794148E+5 5.6849757E+2 -4.7233651E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: Default value; Ni9S8 Ni9S8 + 0.94444O2 + 10.000H+ = 9.000Ni+2 + 7.55556HS- + 0.22222S2O3-2 + 1.22222H2O log_k -1.647 delta_h -381.495 #kJ/mol #05gam/bug -analytic -8.4080802E+3 -1.3465873E+0 4.7613878E+5 3.0378034E+3 -2.7192974E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: Default value; NiAs NiAs + 2.000H+ + 0.500H2O = 1.000Ni+2 + 1.000AsH3 + 0.250O2 log_k -42.629 delta_h 219.371 #kJ/mol #05gam/bug -analytic -1.3859649E+2 -2.1691118E-2 -5.9999667E+3 5.0134625E+1 -1.3298174E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi; NiCl2 NiCl2 = 2.000Cl- + 1.000Ni+2 log_k 8.596 delta_h -88.760 #kJ/mol #05gam/bug -analytic -1.5673181E+3 -2.5504198E-1 9.0038499E+4 5.6886271E+2 -5.1246883E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi; NiCl2:2H2O NiCl2:2H2O = 2.000Cl- + 1.000Ni+2 + 2.000H2O log_k 4.857 delta_h -51.950 #kJ/mol #05gam/bug -analytic -1.5891861E+3 -2.5905294E-1 8.9486365E+4 5.7780587E+2 -5.20936E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: Default value; NiCl2:4H2O NiCl2:4H2O = 2.000Cl- + 1.000Ni+2 + 4.000H2O log_k 3.757 delta_h -22.930 #kJ/mol #05gam/bug -analytic -1.7188548E+3 -2.5920992E-1 9.3906938E+4 6.2378883E+2 -5.2087215E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; V°: Default value; NiCl2:6H2O NiCl2:6H2O = 2.000Cl- + 1.000Ni+2 + 6.000H2O log_k 2.981 delta_h -3.940 #kJ/mol #05gam/bug -analytic -1.769494E+3 -2.5936691E-1 9.5269537E+4 6.4210932E+2 -5.2080831E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; V°: Default value; NiCO3 NiCO3 + 1.000H+ = 1.000HCO3- + 1.000Ni+2 log_k -0.736 delta_h -36.110 #kJ/mol #05gam/bug -analytic -9.0949728E+2 -1.4698499E-1 5.0789653E+4 3.2922115E+2 -2.8801945E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi; NiF2 NiF2 = 2.000F- + 1.000Ni+2 log_k -0.251 delta_h -72.900 #kJ/mol #05gam/bug -analytic -1.6994596E+3 -2.7222932E-1 9.5943104E+4 6.1436514E+2 -5.4783063E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi; NiFe2O4 NiFe2O4 + 8.000H+ = 2.000Fe+3 + 1.000Ni+2 + 4.000H2O log_k 10.780 delta_h -230.320 #kJ/mol #95rob/hem -analytic -1.3772254E+3 -2.176043E-1 8.2334916E+4 4.9303863E+2 -3.8455402E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 04roi; NiS2 NiS2 + 0.750H2O = 1.000Ni+2 + 1.500HS- + 0.250S2O3-2 log_k -25.241 delta_h 95.351 #kJ/mol #05gam/bug -analytic -1.6103276E+3 -2.6122591E-1 8.3081707E+4 5.8362549E+2 -5.3184534E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: Default value; NiSO4 NiSO4 = 1.000Ni+2 + 1.000SO4-2 log_k 4.675 delta_h -95.560 #kJ/mol #05gam/bug -analytic -1.665992E+3 -2.6825807E-1 9.6194818E+4 6.0221013E+2 -5.5220764E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi; NiSO4:6H2O NiSO4:6H2O = 1.000Ni+2 + 1.000SO4-2 + 6.000H2O log_k -2.316 #delta_h 0.000 #kJ/mol #05gam/bug -analytic -1.6823835E+3 -2.5774702E-1 9.2401248E+4 6.0942968E+2 -5.4219841E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi; NiSO4:7H2O NiSO4:7H2O = 1.000Ni+2 + 1.000SO4-2 + 7.000H2O log_k -2.331 delta_h 7.680 #kJ/mol #05gam/bug -analytic -1.6839128E+3 -2.5605608E-1 9.2041413E+4 6.1018541E+2 -5.3911476E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi; Nontronite(Ca) Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.670Al+3 + 0.170Ca+2 + 1.670Fe+3 + 3.660H4SiO4 log_k -2.807 delta_h -137.388 #kJ/mol #15bla/vie -analytic -2.4741658E+3 -3.3718972E-1 1.5169235E+5 8.7526886E+2 -9.1278051E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Nontronite(K) K0.34Fe1.67Al0.67Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.670Al+3 + 1.670Fe+3 + 0.340K+ + 3.660H4SiO4 log_k -3.976 delta_h -118.855 #kJ/mol #15bla/vie -analytic -2.4544931E+3 -3.3365307E-1 1.4991391E+5 8.6864952E+2 -9.0880119E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Nontronite(Mg) Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.670Al+3 + 1.670Fe+3 + 0.170Mg+2 + 3.660H4SiO4 log_k -3.353 delta_h -138.568 #kJ/mol #15bla/vie -analytic -2.4893022E+3 -3.3895116E-1 1.525653E+5 8.804005E+2 -9.1731351E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Nontronite(Na) Na0.34Fe1.67Al0.67Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.670Al+3 + 1.670Fe+3 + 0.340Na+ + 3.660H4SiO4 log_k -3.478 delta_h -127.473 #kJ/mol #15bla/vie -analytic -2.4754229E+3 -3.3587611E-1 1.5144038E+5 8.7574857E+2 -9.1409123E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Nontronite(Nau2) Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 + 8.168H+ + 1.832H2O = 0.818Al+3 + 0.247Ca+2 + 1.688Fe+3 + 0.020K+ + 0.068Mg+2 + 3.458H4SiO4 log_k 1.349 delta_h -179.453 #kJ/mol #13gai/bla -analytic -2.5155355E+3 -3.5487839E-1 1.5340261E+5 8.9268474E+2 -8.9527335E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 13gai/bla; S°: 13gai/bla; Cp: 09gai; V°: 13gai/bla; Okenite CaSi2O4(OH)2:H2O + 2.000H+ + 1.000H2O = 1.000Ca+2 + 2.000H4SiO4 log_k 9.190 delta_h -39.192 #kJ/mol #10abla/bou -analytic -9.6754502E+2 -1.2011494E-1 6.1769903E+4 3.4310498E+2 -3.8776397E+6 #References = LogK/DGf: 10abla/bou; DHf/DHr: 10abla/bou; S°: Internal calculation; Cp: 10abla/bou; V°: 92wol; Olivenite Cu2AsO4(OH) + 3.000H+ = 1.000H2AsO4- + 2.000Cu+2 + 1.000H2O log_k 2.391 #References = LogK/DGf: 01gas/aza; #References = LogK/DGf: 01gas/aza; V°: 00bla/bid; Orpiment As2S3 + 6.000H2O = 2.000H2AsO3- + 3.000HS- + 5.000H+ log_k -65.110 delta_h 334.975 #kJ/mol #Internal calculation -analytic -2.5599772E+3 -4.2267991E-1 1.1988784E+5 9.3328822E+2 -8.0517057E+6 #References = LogK/DGf: 96pok/gou; DHf/DHr: Internal calculation; S°: 96pok/gou; Cp: 96pok/gou; V°: 96pok/gou; Otavite CdCO3 + 1.000H+ = 1.000HCO3- + 1.000Cd+2 log_k -1.773 delta_h -13.219 #kJ/mol #Internal calculation -analytic -8.8925402E+2 -1.4348661E-1 4.8437632E+4 3.2294259E+2 -2.7823139E+6 #References = LogK/DGf: 91rai/fel; DHf/DHr: Internal calculation; S°: 96arc; Cp: 96arc; V°: 95rob/hem; P(element) P + 1.500H2O = 1.000PH3 + 0.750O2 log_k -68.935 delta_h 408.486 #kJ/mol #89cox/wag -analytic 3.3404985E+2 5.1313372E-2 -4.2306256E+4 -1.1859734E+2 1.5176804E+6 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Paragonite NaAl2(AlSi3)O10(OH)2 + 10.000H+ = 3.000Al+3 + 1.000Na+ + 3.000H4SiO4 log_k 16.804 delta_h -294.623 #kJ/mol #96rou/hov -analytic -2.6452559E+3 -3.8247258E-1 1.64246E+5 9.4070011E+2 -9.1107641E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 96rou/hov; S°: 84rob/hem; Cp: 84rob/hem; V°: 78hel/del; Pargasite Na(Ca2Mg4Al)(Al2Si6)O22(OH)2 + 22.000H+ = 3.000Al+3 + 2.000Ca+2 + 4.000Mg+2 + 1.000Na+ + 6.000H4SiO4 log_k 104.557 delta_h -940.614 #kJ/mol #Internal calculation -analytic -5.7962939E+3 -8.2700886E-1 3.7555969E+5 2.0652064E+3 -1.9772394E+7 #References = LogK/DGf: 78hel/del,92ajoh; DHf/DHr: Internal calculation; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh; Pb(element) Pb + 0.500O2 + 2.000H+ = 1.000Pb+2 + 1.000H2O log_k 47.242 delta_h -278.843 #kJ/mol #By convention -analytic -3.7331236E+2 -5.7965165E-2 3.5805889E+4 1.344975E+2 -1.3389494E+6 #References = S°: 89cox/wag; Cp: 98cha; V°: 95rob/hem; Pb(H2PO4)2 Pb(H2PO4)2 = 2.000H2PO4- + 1.000Pb+2 log_k -9.840 #References = LogK/DGf: 74nri; #References = LogK/DGf: 74nri; V°: Default value; Pb(OH)2 Pb(OH)2 + 2.000H+ = 1.000Pb+2 + 2.000H2O log_k 13.514 delta_h -56.140 #kJ/mol #52lat -analytic -3.5536959E+2 -4.807084E-2 2.2120649E+4 1.2942742E+2 -9.9884185E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 52lat; S°: 52lat; V°: Default value; Pb2SiO4 Pb2SiO4 + 4.000H+ = 2.000Pb+2 + 1.000H4SiO4 log_k 15.895 delta_h -79.140 #kJ/mol #98cha -analytic -9.8551984E+2 -1.3794931E-1 6.181618E+4 3.5389453E+2 -3.5981442E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 94pan; Pb3(PO4)2 Pb3(PO4)2 + 4.000H+ = 2.000H2PO4- + 3.000Pb+2 log_k -5.480 delta_h -2.292 #kJ/mol #Internal calculation -analytic -2.0146212E+3 -3.2440847E-1 1.1078767E+5 7.3122905E+2 -6.6757837E+6 #References = LogK/DGf: 74nri; DHf/DHr: Internal calculation; S°: 74nau/ryz; Cp: 74nau/ryz, 68,69,71,76wag/eva, 71par/wag, 60kel; V°: 82wag/eva,60kel; Pb4O(PO4)2 Pb4O(PO4)2 + 6.000H+ = 2.000H2PO4- + 4.000Pb+2 + 1.000H2O log_k 4.488 #References = LogK/DGf: 78ric/nri; #References = LogK/DGf: 78ric/nri; V°: Default value; PbHPO4 PbHPO4 + 1.000H+ = 1.000H2PO4- + 1.000Pb+2 log_k -4.225 delta_h 16.293 #kJ/mol #Internal calculation -analytic -9.3895452E+2 -1.4495658E-1 5.0201609E+4 3.4060327E+2 -2.9538662E+6 #References = LogK/DGf: 74nri; DHf/DHr: Internal calculation; S°: 74nau/ryz; V°: Default value; Pd(element) Pd + 0.500O2 + 2.000H+ = 1.000Pd+2 + 1.000H2O log_k 12.063 delta_h -101.834 #kJ/mol #By convention -analytic -4.2361301E+2 -6.6488438E-2 2.8339235E+4 1.5194195E+2 -1.379754E+6 #References = LogK/DGf: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; Pd(OH)2(s) Pd(OH)2 + 2.000H+ = 1.000Pd+2 + 2.000H2O log_k -0.617 delta_h -8.148 #kJ/mol #Internal calculation -analytic -3.4050715E+2 -5.1805384E-2 1.7918515E+4 1.2345499E+2 -9.1063928E+5 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; Pd4S(s) Pd4S + 1.500O2 + 7.000H+ = 4.000Pd+2 + 1.000HS- + 3.000H2O log_k -8.837 delta_h -74.876 #kJ/mol #Internal calculation -analytic -2.2432047E+3 -3.5541282E-1 1.2538029E+5 8.086155E+2 -7.2056652E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; PdO(s) PdO + 2.000H+ = 1.000Pd+2 + 1.000H2O log_k 0.109 delta_h -22.551 #kJ/mol #Internal calculation -analytic -3.3626615E+2 -5.2414852E-2 1.8536004E+4 1.2139695E+2 -9.3834536E+5 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; PdS2 PdS2 + 0.750H2O = 1.000Pd+2 + 1.500HS- + 0.250S2O3-2 log_k -55.402 delta_h 283.030 #kJ/mol #Internal calculation -analytic -1.5914637E+3 -2.5792846E-1 7.1900011E+4 5.779375E+2 -5.1788755E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; Pentahydrite MgSO4:5H2O = 1.000Mg+2 + 1.000SO4-2 + 5.000H2O log_k -1.275 delta_h -14.187 #kJ/mol #Internal calculation -analytic -1.8063993E+3 -2.6137294E-1 9.8854326E+4 6.520122E+2 -5.4996627E+6 #References = LogK/DGf: 80har/wea; DHf/DHr: Internal calculation; S°: 99yun/glu; V°: 63wyc; Periclase MgO + 2.000H+ = 1.000Mg+2 + 1.000H2O log_k 21.585 delta_h -151.230 #kJ/mol #89cox/wag -analytic -3.613142E+2 -5.4384296E-2 2.6720862E+4 1.2972311E+2 -1.0222234E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Philipsbornite PbAl3(AsO4)2(OH)5:H2O + 9.000H+ = 3.000Al+3 + 2.000H2AsO4- + 1.000Pb+2 + 6.000H2O log_k 8.943 #References = LogK/DGf: 93sch/got; #References = LogK/DGf: 93sch/got; V°: Default value; Phillipsite(Ca) Ca0.5AlSi3O8:3H2O + 4.000H+ + 1.000H2O = 1.000Al+3 + 0.500Ca+2 + 3.000H4SiO4 log_k 2.319 delta_h -76.540 #kJ/mol #Internal calculation -analytic -1.6547191E+3 -2.1495941E-1 1.0353289E+5 5.8439479E+2 -6.4154021E+6 #References = LogK/DGf: 09bla; DHf/DHr: Internal calculation; S°: 09bla; Cp: 10vie; V°: 97coo/alb; Phillipsite(K) KAlSi3O8:3H2O + 4.000H+ + 1.000H2O = 1.000Al+3 + 1.000K+ + 3.000H4SiO4 log_k 0.039 delta_h -39.343 #kJ/mol #Internal calculation -analytic -1.5999198E+3 -2.0580731E-1 9.9368527E+4 5.6547382E+2 -6.3284609E+6 #References = LogK/DGf: 09bla; DHf/DHr: Internal calculation; S°: 09bla; Cp: 10vie; V°: 97coo/alb; Phillipsite(Na) NaAlSi3O8:3H2O + 4.000H+ + 1.000H2O = 1.000Al+3 + 1.000Na+ + 3.000H4SiO4 log_k 1.449 delta_h -57.740 #kJ/mol #Internal calculation -analytic -1.664361E+3 -2.1153563E-1 1.0362077E+5 5.876435E+2 -6.4671724E+6 #References = LogK/DGf: 09bla; DHf/DHr: Internal calculation; S°: 09bla; Cp: 10vie; V°: 97coo/alb; Phlogopite KMg3(AlSi3)O10(OH)2 + 10.000H+ = 1.000Al+3 + 1.000K+ + 3.000Mg+2 + 3.000H4SiO4 log_k 41.098 delta_h -353.123 #kJ/mol #92cir/nav -analytic -2.7194067E+3 -3.8106546E-1 1.7318081E+5 9.69566E+2 -9.4102646E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 92cir/nav; S°: 84rob/hem; Cp: 84rob/hem; V°: 78hel/del; Phlogopite(Na) NaMg3AlSi3O10(OH)2 + 10.000H+ = 1.000Al+3 + 3.000Mg+2 + 1.000Na+ + 3.000H4SiO4 log_k 44.196 delta_h -384.183 #kJ/mol #98hol/pow -analytic -2.7791087E+3 -3.8785207E-1 1.7786448E+5 9.9009687E+2 -9.5602456E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98hol/pow; S°: 98hol/pow; Cp: 98hol/pow; V°: 98hol/pow; Phosgenite Pb2(CO3)Cl2 + 1.000H+ = 1.000HCO3- + 2.000Cl- + 2.000Pb+2 log_k -9.573 delta_h 49.187 #kJ/mol #Internal calculation -analytic -2.4536433E+3 -3.8655162E-1 1.3191406E+5 8.9164594E+2 -7.9507146E+6 #References = LogK/DGf: 78ric/nri; DHf/DHr: Internal calculation; S°: 78ric/nri; V°: 90rob/cam; Picromerite K2Mg(SO4)2:6H2O = 2.000K+ + 1.000Mg+2 + 2.000SO4-2 + 6.000H2O log_k -4.324 delta_h 33.490 #kJ/mol #74nau/ryz -analytic -3.3496813E+3 -4.9577994E-1 1.8218177E+5 1.2128178E+3 -1.0569863E+7 #References = LogK/DGf: 84har/mol; DHf/DHr: 74nau/ryz; S°: Internal calculation; V°: 63wyc; Pirssonite Na2Ca(CO3)2:2H2O + 2.000H+ = 2.000HCO3- + 1.000Ca+2 + 2.000Na+ + 2.000H2O log_k 11.746 delta_h -19.823 #kJ/mol #Internal calculation -analytic -1.803153E+3 -2.6502443E-1 9.8762262E+4 6.5611765E+2 -5.4095705E+6 #References = LogK/DGf: 99kon/kon; DHf/DHr: Internal calculation; S°: 99kon/kon; V°: 63wyc; Plattnerite PbO2 + 2.000H+ = 1.000Pb+2 + 0.500O2 + 1.000H2O log_k 6.561 delta_h -16.236 #kJ/mol #98cha -analytic -1.9048846E+2 -2.9141125E-2 1.0244404E+4 7.1138759E+1 -4.1340982E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 82pan; Plumbogummite PbAl3(PO4)2(OH)5:H2O + 9.000H+ = 3.000Al+3 + 2.000H2PO4- + 1.000Pb+2 + 6.000H2O log_k 9.651 #References = LogK/DGf: 04gab/vie; #References = LogK/DGf: 04gab/vie; V°: 63wyc; Plumbonacrite Pb10O(OH)6(CO3)6 + 14.000H+ = 6.000HCO3- + 10.000Pb+2 + 7.000H2O log_k 19.879 #References = LogK/DGf: 84tay/lop; #References = LogK/DGf: 84tay/lop; V°: 90rob/cam; Polyhalite K2MgCa2(SO4)4:2H2O = 2.000Ca+2 + 2.000K+ + 1.000Mg+2 + 4.000SO4-2 + 2.000H2O log_k -13.738 #References = LogK/DGf: 84har/mol; #References = LogK/DGf: 84har/mol; V°: 63wyc; Portlandite Ca(OH)2 + 2.000H+ = 1.000Ca+2 + 2.000H2O log_k 22.812 delta_h -130.108 #kJ/mol #Internal calculation -analytic -2.8492926E+2 -4.4710612E-2 2.1380115E+4 1.0420455E+2 -7.5424917E+5 #References = LogK/DGf: 10abla/bou; DHf/DHr: Internal calculation; S°: 98cha; Cp: 99aki/zot; V°: 95rob/hem; Prehnite Ca2Al2Si3O10(OH)2 + 10.000H+ = 2.000Al+3 + 2.000Ca+2 + 3.000H4SiO4 log_k 32.596 delta_h -339.617 #kJ/mol #98cha/kru -analytic -2.6255465E+3 -3.8041883E-1 1.6586587E+5 9.3642007E+2 -9.0549681E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha/kru; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Pseudomalachite Cu5(PO4)2(OH)4 + 8.000H+ = 5.000Cu+2 + 2.000H2PO4- + 4.000H2O log_k 22.037 #References = LogK/DGf: 84nri; #References = LogK/DGf: 84nri; V°: 63wyc; Pt(element) Pt + 0.500O2 + 2.000H+ = 1.000Pt+2 + 1.000H2O log_k -2.157 delta_h -24.919 #kJ/mol #By convention -analytic -4.2540447E+2 -6.6879597E-2 2.4409294E+4 1.5234139E+2 -1.3903575E+6 #References = S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; PtS2 PtS2 + 0.750H2O = 1.000Pt+2 + 1.500HS- + 0.250S2O3-2 log_k -74.387 delta_h 392.207 #kJ/mol #Internal calculation -analytic -1.5937696E+3 -2.5854409E-1 6.6351027E+4 5.7885384E+2 -5.1923221E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; Pyrite FeS2 + 0.750H2O = 1.000Fe+2 + 1.500HS- + 0.250S2O3-2 log_k -23.591 delta_h 107.901 #kJ/mol #05wal/pel -analytic -1.5918872E+3 -2.5774873E-1 8.1293961E+4 5.7833155E+2 -5.2056586E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05wal/pel; S°: 95rob/hem; Cp: 05wal/pel; V°: 78hel/del; Pyromorphite Pb5(PO4)3OH + 7.000H+ = 3.000H2PO4- + 5.000Pb+2 + 1.000H2O log_k -18.119 #References = LogK/DGf: 74nri; #References = LogK/DGf: 74nri; V°: 90rob/cam; Pyromorphite(Br) Pb5(PO4)3Br + 6.000H+ = 1.000Br- + 3.000H2PO4- + 5.000Pb+2 log_k -19.420 #References = LogK/DGf: 74nri; #References = LogK/DGf: 74nri; V°: 90rob/cam; Pyromorphite(Cl) Pb5(PO4)3Cl + 6.000H+ = 1.000Cl- + 3.000H2PO4- + 5.000Pb+2 log_k -25.720 #References = LogK/DGf: 74nri; #References = LogK/DGf: 74nri; V°: 63wyc; Pyromorphite(F) Pb5(PO4)3F + 6.000H+ = 1.000F- + 3.000H2PO4- + 5.000Pb+2 log_k -12.920 #References = LogK/DGf: 74nri; #References = LogK/DGf: 74nri; V°: 90rob/cam; Pyrope(alpha) Mg3Al2Si3O12 + 12.000H+ = 2.000Al+3 + 3.000Mg+2 + 3.000H4SiO4 log_k 58.930 delta_h -569.383 #kJ/mol #95rob/hem -analytic -3.1632192E+3 -4.564587E-1 2.0653485E+5 1.1257864E+3 -1.0681752E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 78hel/del,78rob/hem; Cp: 78hel/del,78rob/hem; V°: 78hel/del,78rob/hem; Pyrophyllite Al2Si4O10(OH)2 + 6.000H+ + 4.000H2O = 2.000Al+3 + 4.000H4SiO4 log_k -0.418 delta_h -128.924 #kJ/mol #95rob/hem -analytic -2.3595061E+3 -3.237303E-1 1.4585394E+5 8.3524091E+2 -8.9193526E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 76rob/hem; V°: 95rob/hem; Pyroxene(CaAl) CaAl(AlSi)O6 + 8.000H+ = 2.000Al+3 + 1.000Ca+2 + 1.000H4SiO4 + 2.000H2O log_k 36.234 delta_h -370.792 #kJ/mol #Internal calculation -analytic -1.5908243E+3 -2.4603865E-1 1.0453251E+5 5.681931E+2 -4.9909659E+6 #References = LogK/DGf: 78hel/del,92ajoh; DHf/DHr: Internal calculation; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh; Pyrrhotite FeS + 1.000H+ = 1.000Fe+2 + 1.000HS- log_k -3.679 delta_h -10.009 #kJ/mol #05wal/pel -analytic -1.1321823E+3 -1.8235764E-1 6.1304821E+4 4.1103628E+2 -3.5403537E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05wal/pel; S°: 05wal/pel; Cp: 05wal/pel; V°: 78hel/del; Quartz(alpha) SiO2 + 2.000H2O = 1.000H4SiO4 log_k -3.734 delta_h 23.499 #kJ/mol #82ric/bot -analytic -3.5374911E+2 -4.1888083E-2 2.18041E+4 1.2419287E+2 -1.5942862E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 82ric/bot; S°: 82ric/bot; Cp: 82ric/bot; V°: 95rob/hem; Quartz(beta) SiO2 + 2.000H2O = 1.000H4SiO4 log_k -3.502 #delta_h 0.000 #kJ/mol -analytic -3.4680063E+2 -4.1000884E-2 2.1497205E+4 1.2167536E+2 -1.5695706E+6 #References = LogK/DGf: Internal calculation; Cp: 89cox/wag; V°: Default value; Realgar AsS + 0.250O2 + 2.500H2O = 1.000H2AsO3- + 1.000HS- + 2.000H+ log_k -7.800 delta_h 24.594 #kJ/mol #Internal calculation -analytic -1.0034543E+3 -1.6631516E-1 5.2749124E+4 3.654584E+2 -3.1986476E+6 #References = LogK/DGf: 13bla/las; DHf/DHr: Internal calculation; S°: 96pok/gou; Cp: 96pok/gou; V°: 96pok/gou; Rh(element) Rh + 0.500O2 + 2.000H+ = 1.000Rh+2 + 1.000H2O log_k 22.694 delta_h -169.367 #kJ/mol #98sas/sho -analytic -4.2198365E+2 -6.5807108E-2 3.1965536E+4 1.5071669E+2 -1.409249E+6 #References = LogK/DGf: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; Rh2O(s) Rh2O + 0.6666675O2 + 4.66667H+ = 1.33333Rh+2 + 0.66667Rh+3 + 2.333335H2O log_k 32.170 delta_h -297.073 #kJ/mol #Internal calculation -analytic -9.2880217E+2 -1.4590429E-1 6.5217476E+4 3.3096914E+2 -2.9537693E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: Default value; Rh2O3(s) Rh2O3 + 6.000H+ = 2.000Rh+3 + 3.000H2O log_k 12.342 delta_h -213.359 #kJ/mol #Internal calculation -analytic -1.0500191E+3 -1.6722402E-1 6.5471364E+4 3.7474604E+2 -3.0808349E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; Rhodochrosite MnCO3 + 1.000H+ = 1.000HCO3- + 1.000Mn+2 log_k 0.230 delta_h -22.001 #kJ/mol #Internal calculation -analytic -8.9448089E+2 -1.4475403E-1 4.9047875E+4 3.2517342E+2 -2.7786359E+6 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Riebeckite Na2(Fe3Fe2)Si8O22(OH)2 + 14.000H+ + 8.000H2O = 3.000Fe+2 + 2.000Na+ + 8.000H4SiO4 + 2.000Fe+3 log_k 9.199 delta_h -197.377 #kJ/mol #98hol/pow -analytic -5.0079102E+3 -6.7170777E-1 3.0608951E+5 1.7785742E+3 -1.8686839E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 98hol/pow; S°: 98hol/pow; Cp: 95rob/hem; V°: 78hel/del; Rockbridgite(Zn) ZnFe4(PO4)3(OH)5 + 11.000H+ = 4.000Fe+3 + 3.000H2PO4- + 1.000Zn+2 + 5.000H2O log_k 1.837 #References = LogK/DGf: 84nri; #References = LogK/DGf: 84nri; V°: Default value; Romarchite SnO + 2.000H+ = 1.000Sn+2 + 1.000H2O log_k 2.229 delta_h -13.896 #kJ/mol #89cox/wag -analytic -3.110607E+2 -4.7538033E-2 1.782514E+4 1.1273586E+2 -1.0027505E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Romerite Fe3(SO4)4:14H2O = 2.000Fe+3 + 4.000SO4-2 + 1.000Fe+2 + 14.000H2O log_k -11.628 delta_h -96.980 #kJ/mol #02hem/sea -analytic -7.0143861E+3 -1.0479409E+0 3.8581548E+5 2.5322294E+3 -2.1749259E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 90rob/cam; Rozenite FeSO4:4H2O = 1.000Fe+2 + 1.000SO4-2 + 4.000H2O log_k -1.696 delta_h -14.960 #kJ/mol #02cho/sea -analytic -1.7627909E+3 -2.59975E-1 9.6675812E+4 6.3675286E+2 -5.4446565E+6 #References = LogK/DGf: 02cho/sea; DHf/DHr: 02cho/sea; S°: Internal calculation; V°: 90rob/cam; Ru(element) Ru + 0.500O2 + 2.000H+ = 1.000Ru+2 + 1.000H2O log_k 16.681 delta_h -132.285 #kJ/mol #Internal calculation -analytic -4.2170452E+2 -6.5535745E-2 3.0046781E+4 1.5073586E+2 -1.4079513E+6 #References = DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; RuO2(s) RuO2 + 3.000H+ = 1.000Ru+3 + 0.250O2 + 1.500H2O log_k -13.121 delta_h 10.393 #kJ/mol #Internal calculation -analytic -4.3559843E+2 -7.045936E-2 2.0658276E+4 1.5613632E+2 -1.080241E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; Rutile TiO2 + 2.000H2O = 1.000Ti(OH)4 log_k -8.861 delta_h 0.300 #kJ/mol #89cox/wag -analytic -4.6738595E+2 -3.2546139E-2 2.3089926E+4 1.6138804E+2 -7.6089683E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; S(alpha) S + 1.000H2O = 1.000HS- + 0.500O2 + 1.000H+ log_k -45.140 delta_h 263.463 #kJ/mol #By convention -analytic -5.3915576E+2 -8.8467883E-2 1.5130512E+4 1.9737497E+2 -1.6665249E+6 #References = S°: 89cox/wag; Cp: 11par/cor; V°: 11par/cor; S(beta) S + 1.000H2O = 1.000HS- + 0.500O2 + 1.000H+ log_k -45.128 #delta_h 0.000 #kJ/mol -analytic -5.3856231E+2 -8.8389178E-2 1.5118745E+4 1.9714171E+2 -1.6654188E+6 #References = LogK/DGf: Internal calculation; Cp: 11par/cor; V°: Default value; S(gamma) S + 1.000H2O = 1.000HS- + 0.500O2 + 1.000H+ log_k -45.089 #delta_h 0.000 #kJ/mol -analytic -5.2201078E+2 -8.6900678E-2 1.4085028E+4 1.9135181E+2 -1.5909958E+6 #References = LogK/DGf: Internal calculation; Cp: 11par/cor; V°: Default value; Sanidine K(AlSi3)O8 + 4.000H+ + 4.000H2O = 1.000Al+3 + 1.000K+ + 3.000H4SiO4 log_k 0.620 delta_h -58.203 #kJ/mol #95rob/hem -analytic -1.6040776E+3 -2.1368942E-1 9.9754212E+4 5.6769011E+2 -6.3008126E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 06bla/pia; V°: 78hel/del; Saponite(Ca) Ca0.17Mg3Al0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 0.170Ca+2 + 3.000Mg+2 + 3.660H4SiO4 log_k 29.355 delta_h -262.766 #kJ/mol #15bla/vie -analytic -2.5667428E+3 -3.4039957E-1 1.6475488E+5 9.099285E+2 -9.472597E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Saponite(FeCa) Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 0.170Ca+2 + 1.000Fe+2 + 2.000Mg+2 + 3.660H4SiO4 log_k 26.569 delta_h -250.636 #kJ/mol #15bla/vie -analytic -2.5356344E+3 -3.373844E-1 1.6236385E+5 8.9871835E+2 -9.386812E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Saponite(FeK) K0.34Mg2FeAl0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 1.000Fe+2 + 0.340K+ + 2.000Mg+2 + 3.660H4SiO4 log_k 25.398 delta_h -232.093 #kJ/mol #15bla/vie -analytic -2.515955E+3 -3.3384661E-1 1.6058454E+5 8.9209651E+2 -9.3470003E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Saponite(FeMg) Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 1.000Fe+2 + 2.170Mg+2 + 3.660H4SiO4 log_k 26.022 delta_h -251.806 #kJ/mol #15bla/vie -analytic -2.5507675E+3 -3.3914471E-1 1.6323608E+5 9.0384868E+2 -9.4321235E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Saponite(FeNa) Na0.34Mg2FeAl0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 1.000Fe+2 + 2.000Mg+2 + 0.340Na+ + 3.660H4SiO4 log_k 25.896 delta_h -240.711 #kJ/mol #15bla/vie -analytic -2.5368817E+3 -3.3606965E-1 1.6211086E+5 8.9919435E+2 -9.3999007E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Saponite(K) K0.33Mg3Al0.33Si3.67O10(OH)2 + 7.320H+ + 2.680H2O = 0.330Al+3 + 0.330K+ + 3.000Mg+2 + 3.670H4SiO4 log_k 27.430 delta_h -239.483 #kJ/mol #15bla/vie -analytic -2.544416E+3 -3.3629993E-1 1.6263915E+5 9.0231366E+2 -9.4312976E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Saponite(Mg) Mg0.17Mg3Al0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 3.170Mg+2 + 3.660H4SiO4 log_k 28.810 delta_h -263.946 #kJ/mol #15bla/vie -analytic -2.5818719E+3 -3.4215988E-1 1.6562747E+5 9.1505763E+2 -9.5179085E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Saponite(Na) Na0.33Mg3Al0.33Si3.67O10(OH)2 + 7.320H+ + 2.680H2O = 0.330Al+3 + 3.000Mg+2 + 0.330Na+ + 3.670H4SiO4 log_k 27.971 delta_h -248.219 #kJ/mol #15bla/vie -analytic -2.5647603E+3 -3.3846001E-1 1.6414122E+5 9.0921188E+2 -9.482682E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Saponite(SapCa) (Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.055)O10(OH)2 + 7.724H+ + 2.276H2O = 0.397Al+3 + 0.038Ca+2 + 0.034Fe+3 + 0.021K+ + 2.949Mg+2 + 0.394Na+ + 3.569H4SiO4 + 0.021Fe+2 log_k 31.473 delta_h -277.172 #kJ/mol #13gai/bla -analytic -2.5790231E+3 -3.508959E-1 1.6429225E+5 9.168404E+2 -9.2969386E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 13gai/bla; S°: 13gai/bla; Cp: 09gai; V°: 13gai/bla; Sb(element) Sb + 0.750O2 + 1.500H2O = 1.000Sb(OH)3 log_k 52.745 delta_h -316.199 #kJ/mol #Internal calculation -analytic -3.9870715E+1 -1.2316823E-2 1.7752813E+4 1.5100207E+1 -5.509819E+4 #References = DHf/DHr: Internal calculation; S°: 94aki/zot; Cp: 94aki/zot; V°: 94aki/zot; Scholzite CaZn2(PO4)2:2H2O + 4.000H+ = 1.000Ca+2 + 2.000H2PO4- + 2.000Zn+2 + 2.000H2O log_k 7.425 #References = LogK/DGf: 84nri; #References = LogK/DGf: 84nri; V°: 63wyc; Schultenite PbHAsO4 + 1.000H+ = 1.000H2AsO4- + 1.000Pb+2 log_k -5.410 #References = LogK/DGf: 01gas/aza; #References = LogK/DGf: 01gas/aza; V°: 00bla/bid; Schwertmannite Fe8O8(OH)6SO4:8H2O + 22.000H+ = 8.000Fe+3 + 1.000SO4-2 + 22.000H2O log_k 8.982 #References = LogK/DGf: 04maj/nav; #References = LogK/DGf: 04maj/nav; V°: 90rob/cam; Scolecite CaAl2Si3O10:3H2O + 8.000H+ = 2.000Al+3 + 1.000Ca+2 + 3.000H4SiO4 + 1.000H2O log_k 16.647 delta_h -233.213 #kJ/mol #83joh/flo -analytic -2.3692738E+3 -3.4026162E-1 1.4623007E+5 8.4431312E+2 -8.2035956E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 83joh/flo; S°: 83joh/flo; Cp: 83joh/flo; V°: 95rob/hem; Scorodite FeAsO4:2H2O + 2.000H+ = 1.000H2AsO4- + 1.000Fe+3 + 2.000H2O log_k -7.368 delta_h -21.409 #kJ/mol #11maj/dra -analytic -1.0365332E+3 -1.6539267E-1 5.5820815E+4 3.7435481E+2 -3.1169074E+6 #References = LogK/DGf: 06lan/mah; DHf/DHr: 11maj/dra; S°: Internal calculation; Cp: 90pap/ber; V°: 00bla/bid; Scorodite(am) FeAsO4:2H2O + 2.000H+ = 1.000H2AsO4- + 1.000Fe+3 + 2.000H2O log_k -4.538 #References = LogK/DGf: 06lan/mah; #References = LogK/DGf: 06lan/mah; V°: 00bla/bid; Sellaite MgF2 = 2.000F- + 1.000Mg+2 log_k -9.220 delta_h -13.500 #kJ/mol #89cox/wag -analytic -1.7205734E+3 -2.7422476E-1 9.3940935E+4 6.2238979E+2 -5.5139817E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Senarmontite Sb2O3 + 3.000H2O = 2.000Sb(OH)3 log_k -9.835 delta_h 67.343 #kJ/mol #Internal calculation -analytic 1.8477675E+2 1.7342449E-2 -1.8040472E+4 -6.1767774E+1 1.2058989E+6 #References = LogK/DGf: 03zot/shi; DHf/DHr: Internal calculation; S°: 03zot/shi; Cp: 03zot/shi; V°: 03zot/shi; Sepiolite Mg4Si6O15(OH)2:6H2O + 8.000H+ + 1.000H2O = 4.000Mg+2 + 6.000H4SiO4 log_k 31.419 delta_h -225.784 #kJ/mol #Internal calculation -analytic -3.4714843E+3 -4.4714531E-1 2.1930423E+5 1.2318165E+3 -1.3101111E+7 #References = LogK/DGf: 88sto; DHf/DHr: Internal calculation; S°: 88sto; Cp: 88sto; V°: 88sto; Siderite FeCO3 + 1.000H+ = 1.000HCO3- + 1.000Fe+2 log_k -0.273 delta_h -27.862 #kJ/mol #Internal calculation -analytic -9.0290711E+2 -1.4586154E-1 4.9930776E+4 3.2756069E+2 -2.8333705E+6 #References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; Cp: 04chi; V°: 78hel/del,85hel; Siderophyllite KFe2Al3Si2O10(OH)2 + 14.000H+ = 3.000Al+3 + 2.000Fe+2 + 1.000K+ + 2.000H4SiO4 + 4.000H2O log_k 40.570 delta_h -480.112 #kJ/mol #90hol/pow -analytic -2.9500852E+3 -4.434036E-1 1.8546339E+5 1.0536299E+3 -9.4520282E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 90hol/pow; S°: 90hol/pow; Cp: 90hol/pow; V°: 90hol/pow; Siderotil FeSO4:5H2O = 1.000Fe+2 + 1.000SO4-2 + 5.000H2O log_k -2.235 delta_h -4.190 #kJ/mol #02hem/sea -analytic -1.7787588E+3 -2.585467E-1 9.6809893E+4 6.4251488E+2 -5.4183498E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 90rob/cam; Sillimanite Al2SiO5 + 6.000H+ = 2.000Al+3 + 1.000H4SiO4 + 1.000H2O log_k 16.570 delta_h -247.845 #kJ/mol #Internal calculation -analytic -1.3428885E+3 -2.0513363E-1 8.5642987E+4 4.7774773E+2 -4.3366238E+6 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Smectite(MX80) Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.208)O10(OH)2 + 7.048H+ + 2.952H2O = 1.860Al+3 + 0.009Ca+2 + 0.173Fe+3 + 0.024K+ + 0.214Mg+2 + 0.409Na+ + 3.738H4SiO4 + 0.035Fe+2 log_k 5.278 delta_h -175.308 #kJ/mol #12gai/bla -analytic -2.4267042E+3 -3.3712249E-1 1.5038583E+5 8.6021197E+2 -8.9284687E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 12gai/bla; S°: 12gai/bla; Cp: 12gai/bla; V°: 12gai/bla; Smectite(MX80:3.989H2O) Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.208)O10(OH)2:3.989H2O + 7.048H+ = 1.860Al+3 + 0.009Ca+2 + 0.173Fe+3 + 0.024K+ + 0.214Mg+2 + 0.409Na+ + 3.738H4SiO4 + 0.035Fe+2 + 1.037H2O log_k 1.774 delta_h -148.524 #kJ/mol #12gai/bla -analytic -2.3838609E+3 -3.2232449E-1 1.4844358E+5 8.4261556E+2 -8.9910004E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 12gai/bla; S°: 12gai/bla; Cp: 12gai/bla; V°: 12gai/bla; Smectite(MX80:5.189H2O) Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.208)O10(OH)2:5.189H2O + 7.048H+ = 1.860Al+3 + 0.009Ca+2 + 0.173Fe+3 + 0.024K+ + 0.214Mg+2 + 0.409Na+ + 3.738H4SiO4 + 0.035Fe+2 + 2.237H2O log_k 1.435 delta_h -140.430 #kJ/mol #12gai/bla -analytic -2.3706061E+3 -3.2008903E-1 1.4737914E+5 8.3812012E+2 -8.9524821E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 12gai/bla; S°: 12gai/bla; Cp: 12gai/bla; V°: 12gai/bla; Smithsonite ZnCO3 + 1.000H+ = 1.000HCO3- + 1.000Zn+2 log_k -0.620 delta_h -24.415 #kJ/mol #13pow/bro -analytic -9.2301285E+2 -1.4773149E-1 5.0911225E+4 3.3471433E+2 -2.8932044E+6 #References = LogK/DGf: 13pow/bro; DHf/DHr: 13pow/bro; S°: Internal calculation; Cp: 18las/bla; V°: 78hel/del; Sn(alpha) Sn + 0.500O2 + 2.000H+ = 1.000Sn+2 + 1.000H2O log_k 47.810 delta_h -288.539 #kJ/mol #By convention -analytic -3.9316687E+2 -6.1216051E-2 3.7388231E+4 1.4132387E+2 -1.4106793E+6 #References = LogK/DGf: Internal calculation; S°: 85jac/hel; Cp: 85jac/hel; V°: 85jac/hel; Sn(beta) Sn + 0.500O2 + 2.000H+ = 1.000Sn+2 + 1.000H2O log_k 48.308 #delta_h 0.000 #kJ/mol -analytic -3.9004193E+2 -6.0527637E-2 3.7613102E+4 1.3987461E+2 -1.4106793E+6 #References = LogK/DGf: Internal calculation; V°: Default value; Spencerite Zn4(PO4)2(OH)2:3H2O + 6.000H+ = 2.000H2PO4- + 4.000Zn+2 + 5.000H2O log_k 16.800 #References = LogK/DGf: 84nri; #References = LogK/DGf: 84nri; V°: 63wyc; Spessartine(alpha) Mn3Al2Si3O12 + 12.000H+ = 2.000Al+3 + 3.000Mn+2 + 3.000H4SiO4 log_k 49.887 delta_h -471.069 #kJ/mol #98hol/pow -analytic -3.0782231E+3 -4.4800236E-1 1.9682378E+5 1.0986866E+3 -1.0409112E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 98hol/pow; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Sphaerocobaltite CoCO3 + 1.000H+ = 1.000HCO3- + 1.000Co+2 log_k -0.873 delta_h -24.122 #kJ/mol #Internal calculation -analytic -9.0848908E+2 -1.4524556E-1 5.0272924E+4 3.2921793E+2 -2.8733445E+6 #References = LogK/DGf: 99gra; DHf/DHr: Internal calculation; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 90rob/cam; Sphalerite ZnS + 1.000H+ = 1.000HS- + 1.000Zn+2 log_k -11.145 delta_h 33.421 #kJ/mol #14aki/tag -analytic -9.721935E+2 -1.5451455E-1 5.0956629E+4 3.5205735E+2 -3.1055331E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 14aki/tag; S°: 78hel/del; Cp: 14aki/tag; V°: 78hel/del; Spinel MgAl2O4 + 8.000H+ = 2.000Al+3 + 1.000Mg+2 + 4.000H2O log_k 37.856 delta_h -399.057 #kJ/mol #Internal calculation -analytic -1.3571269E+3 -2.1829196E-1 8.9808713E+4 4.8560142E+2 -3.7994678E+6 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Spingcreekite BaV3(PO4)2(OH)5:H2O + 9.000H+ = 1.000Ba+2 + 2.000H2PO4- + 3.000V+3 + 6.000H2O log_k 7.607 #References = LogK/DGf: 04gab/vie; #References = LogK/DGf: 04gab/vie; V°: Default value; Sr(element) Sr + 0.500O2 + 2.000H+ = 1.000Sr+2 + 1.000H2O log_k 141.780 delta_h -830.663 #kJ/mol #By convention -analytic -3.7926603E+2 -5.8081797E-2 6.4803064E+4 1.3582543E+2 -1.3403758E+6 #References = S°: 98cha; Cp: 98cha; V°: 95rob/hem; Sr(OH)2 Sr(OH)2 + 2.000H+ = 1.000Sr+2 + 2.000H2O log_k 27.516 delta_h -153.670 #kJ/mol #98cha -analytic -3.1110535E+2 -4.4757502E-2 2.478162E+4 1.1280107E+2 -9.1307436E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 94pan; Sr(OH)2:8H2O Sr(OH)2:8H2O + 2.000H+ = 1.000Sr+2 + 10.000H2O log_k 24.330 delta_h -57.000 #kJ/mol #82wag/eva -analytic -5.3417288E+2 -4.5999427E-2 2.9973392E+4 1.9461183E+2 -8.7717847E+5 #References = LogK/DGf: 98fel/dix; DHf/DHr: 82wag/eva; S°: Internal calculation; V°: Default value; Sr2SiO4 Sr2SiO4 + 4.000H+ = 1.000H4SiO4 + 2.000Sr+2 log_k 43.253 #References = LogK/DGf: 82wag/eva; #References = LogK/DGf: 82wag/eva; V°: Default value; Sr3(AsO4)2 Sr3(AsO4)2 + 4.000H+ = 2.000H2AsO4- + 3.000Sr+2 log_k 20.630 #References = LogK/DGf: 01gas/aza; #References = LogK/DGf: 01gas/aza; V°: Default value; Sr3(PO4)2 Sr3(PO4)2 + 4.000H+ = 2.000H2PO4- + 3.000Sr+2 log_k 10.530 delta_h -147.900 #kJ/mol #06bla/ign -analytic -2.2047977E+3 -3.3955304E-1 1.2658427E+5 7.9576591E+2 -6.8511138E+6 #References = LogK/DGf: 06bla/ign; DHf/DHr: 06bla/ign; S°: Internal calculation; V°: Default value; Sr5(PO4)3(OH) Sr5(PO4)3(OH) + 7.000H+ = 3.000H2PO4- + 5.000Sr+2 + 1.000H2O log_k 7.171 delta_h -261.630 #kJ/mol #95jem/che -analytic -3.5037126E+3 -5.3365266E-1 2.0153503E+5 1.258938E+3 -1.0766742E+7 #References = LogK/DGf: 05kin/par; DHf/DHr: 95jem/che; S°: Internal calculation; V°: Default value; SrCl2 SrCl2 = 2.000Cl- + 1.000Sr+2 log_k 8.644 delta_h -59.210 #kJ/mol #98cha -analytic -1.5278114E+3 -2.4779477E-1 8.7032436E+4 5.55833E+2 -5.0621001E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 01mer/vie; SrCl2:2H2O SrCl2:2H2O = 2.000Cl- + 1.000Sr+2 + 2.000H2O log_k 3.470 delta_h -18.720 #kJ/mol #82wag/eva -analytic -1.535214E+3 -2.4563477E-1 8.5215308E+4 5.5875189E+2 -5.0215008E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; Cp: 82wag/eva; V°: 01mer/vie; SrCl2:6H2O SrCl2:6H2O = 2.000Cl- + 1.000Sr+2 + 6.000H2O log_k 1.621 delta_h 23.760 #kJ/mol #82wag/eva -analytic -1.6486766E+3 -2.3890624E-1 8.7953959E+4 5.9877764E+2 -4.8987622E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; V°: 01mer/vie; SrCl2:H2O SrCl2:H2O = 2.000Cl- + 1.000Sr+2 + 1.000H2O log_k 4.910 delta_h -34.090 #kJ/mol #82wag/eva -analytic -1.5321006E+3 -2.4688805E-1 8.5890167E+4 5.5741804E+2 -5.044789E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; Cp: 82wag/eva; V°: 01mer/vie; SrCrO4 SrCrO4 = 1.000CrO4-2 + 1.000Sr+2 log_k -4.650 delta_h -10.124 #kJ/mol #Internal calculation -analytic -1.6563926E+3 -2.6000196E-1 9.1561204E+4 5.9947259E+2 -5.4395197E+6 #References = LogK/DGf: 97smi/mar; DHf/DHr: Internal calculation; S°: 97smi/mar; V°: Default value; SrHPO4 SrHPO4 + 1.000H+ = 1.000H2PO4- + 1.000Sr+2 log_k 0.280 delta_h -19.487 #kJ/mol #Internal calculation -analytic -9.4351476E+2 -1.4553192E-1 5.2043824E+4 3.4175408E+2 -2.9351666E+6 #References = LogK/DGf: 97smi/mar; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value; SrO SrO + 2.000H+ = 1.000Sr+2 + 1.000H2O log_k 41.977 delta_h -244.690 #kJ/mol #98cha -analytic -3.0548702E+2 -4.6169573E-2 2.929319E+4 1.1054806E+2 -9.3910125E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 95rob/hem; SrS SrS + 1.000H+ = 1.000HS- + 1.000Sr+2 log_k 14.685 delta_h -93.570 #kJ/mol #74nau/ryz -analytic -9.4569551E+2 -1.4806485E-1 5.6587654E+4 3.4309608E+2 -3.0436321E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 82wag/eva; V°: 87pan/mah; SrSiO3 SrSiO3 + 2.000H+ + 1.000H2O = 1.000H4SiO4 + 1.000Sr+2 log_k 13.163 delta_h -77.941 #kJ/mol #82wag/eva -analytic -6.4877499E+2 -8.5691266E-2 4.3155067E+4 2.307548E+2 -2.5107164E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 94pan; Staurolite Fe2Al9Si4O23(OH) + 31.000H+ = 9.000Al+3 + 2.000Fe+2 + 4.000H4SiO4 + 8.000H2O log_k 216.340 delta_h -1956.484 #kJ/mol #87woo/gar -analytic -6.5297334E+3 -1.0061427E+0 4.5225123E+5 2.3281295E+3 -2.0588442E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 87woo/gar; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Stellerite Ca2Al4Si14O36:14H2O + 16.000H+ + 6.000H2O = 4.000Al+3 + 2.000Ca+2 + 14.000H4SiO4 log_k 6.989 delta_h -292.435 #kJ/mol #01fri/neu -analytic -7.2181141E+3 -9.5602824E-1 4.4808837E+5 2.5546613E+3 -2.7921039E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 01fri/neu; S°: 01fri/neu; Cp: 01fri/neu; V°: 01fri/neu; Sterlinghillite Mn3(AsO4)2:8H2O + 4.000H+ = 2.000H2AsO4- + 3.000Mn+2 + 8.000H2O log_k 7.428 #References = LogK/DGf: 01gas/aza; #References = LogK/DGf: 01gas/aza; V°: 00bla/bid; Stibnite Sb2S3 + 6.000H2O = 3.000HS- + 2.000Sb(OH)3 + 3.000H+ log_k -56.207 delta_h 309.255 #kJ/mol #Internal calculation -analytic -1.3680519E+3 -2.5017937E-1 5.4369104E+4 5.0512051E+2 -4.0718841E+6 #References = LogK/DGf: 03zot/shi; DHf/DHr: Internal calculation; S°: 03zot/shi; Cp: 03zot/shi; V°: 03zot/shi; Stilbite NaCa2(Al5Si13)O36:16H2O + 20.000H+ = 5.000Al+3 + 2.000Ca+2 + 1.000Na+ + 13.000H4SiO4 log_k 23.044 delta_h -403.823 #kJ/mol #01fri/neu -analytic -7.4700792E+3 -1.0099722E+0 4.6170528E+5 2.6510812E+3 -2.7934606E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 01fri/neu; S°: 01fri/neu; Cp: 01fri/neu; V°: 01fri/neu; Straetlingite Ca2Al2SiO2(OH)10:2.5H2O + 10.000H+ = 2.000Al+3 + 2.000Ca+2 + 1.000H4SiO4 + 10.500H2O log_k 49.671 delta_h -406.014 #kJ/mol #Internal calculation -analytic -1.8830104E+3 -2.7529055E-1 1.2215595E+5 6.7447093E+2 -5.6792627E+6 #References = LogK/DGf: 10bbla/bou; DHf/DHr: Internal calculation; S°: 10bbla/bou; Cp: 10bbla/bou; V°: 90rin/sac; Strengite FePO4:2H2O + 2.000H+ = 1.000Fe+3 + 1.000H2PO4- + 2.000H2O log_k -5.251 delta_h -34.799 #kJ/mol #Internal calculation -analytic -1.0756044E+3 -1.7187319E-1 5.8848892E+4 3.8841198E+2 -3.2786811E+6 #References = LogK/DGf: 69wag/eva; DHf/DHr: Internal calculation; S°: 69wag/eva; Cp: 74nau/ryz,76wag/eva, 71par/wag; V°: 95rob/hem; Strontianite SrCO3 + 1.000H+ = 1.000HCO3- + 1.000Sr+2 log_k 1.057 delta_h -15.067 #kJ/mol #Internal calculation -analytic -8.6448147E+2 -1.3949607E-1 4.8173734E+4 3.1423274E+2 -2.8441186E+6 #References = LogK/DGf: 84bus/plu; DHf/DHr: Internal calculation; S°: 84bus/plu; Cp: 06bla/ign; V°: 78hel/del; Sudoite Mg2Al4Si3O10(OH)8 + 16.000H+ = 4.000Al+3 + 2.000Mg+2 + 3.000H4SiO4 + 6.000H2O log_k 37.957 delta_h -523.893 #kJ/mol #05vid/par -analytic -3.8039833E+3 -5.6366499E-1 2.3506768E+5 1.3575717E+3 -1.2235862E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 05vid/par; S°: 05vid/par; Cp: 05vid/par; V°: 05vid/par; Sudoite(Fe) Fe2Al4Si3O10(OH)8 + 16.000H+ = 4.000Al+3 + 2.000Fe+2 + 3.000H4SiO4 + 6.000H2O log_k 36.169 delta_h -512.393 #kJ/mol #98hol/pow -analytic -3.7175132E+3 -5.5966294E-1 2.2968738E+5 1.32784E+3 -1.204357E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 98hol/pow; S°: 98hol/pow; Cp: 98hol/pow; V°: 98hol/pow; Svanbergite SrAl3(PO4)(SO4)(OH)6 + 8.000H+ = 3.000Al+3 + 1.000H2PO4- + 1.000SO4-2 + 1.000Sr+2 + 6.000H2O log_k 7.747 delta_h -301.843 #kJ/mol #Internal calculation -analytic -3.8171949E+3 -5.9863034E-1 2.1835867E+5 1.3746361E+3 -1.1591927E+7 #References = LogK/DGf: 04gab/vie; DHf/DHr: Internal calculation; S°: 04gab/vie; Cp: 04gab/vie; V°: 04gab/vie; Sylvite KCl = 1.000Cl- + 1.000K+ log_k 0.872 delta_h 17.460 #kJ/mol #98cha -analytic -6.8750501E+2 -1.1145941E-1 3.7309485E+4 2.5158262E+2 -2.3159492E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 78hel/del, 98cha; Cp: 98cha; V°: 78hel/del; Symplesite Fe3(AsO4)2:8H2O + 4.000H+ = 2.000H2AsO4- + 3.000Fe+2 + 8.000H2O log_k -1.562 #References = LogK/DGf: 01gas/aza; #References = LogK/DGf: 01gas/aza; V°: 00bla/bid; Syngenite K2Ca(SO4)2:6H2O = 1.000Ca+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O log_k -7.444 #References = LogK/DGf: 84har/mol; #References = LogK/DGf: 84har/mol; V°: 63wyc; Szomolnokite FeSO4:H2O = 1.000Fe+2 + 1.000SO4-2 + 1.000H2O log_k -1.657 delta_h -41.470 #kJ/mol #02hem/sea -analytic -1.71659E+3 -2.6444535E-1 9.6029771E+4 6.1988501E+2 -5.5267753E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 95rob/hem; Tachyhydrite Mg2CaCl6:12H2O = 1.000Ca+2 + 6.000Cl- + 2.000Mg+2 + 12.000H2O log_k 17.392 #References = LogK/DGf: 84har/mol; #References = LogK/DGf: 84har/mol; V°: 63wyc; Talc Mg3Si4O10(OH)2 + 6.000H+ + 4.000H2O = 3.000Mg+2 + 4.000H4SiO4 log_k 24.932 delta_h -201.024 #kJ/mol #01kal/mar -analytic -2.4241826E+3 -3.2073548E-1 1.5435753E+5 8.6054525E+2 -9.0972202E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 01kal/mar; S°: 63rob/sto; Cp: 79kru/rob; V°: 78hel/del; Tarbuttite Zn2(PO4)OH + 3.000H+ = 1.000H2PO4- + 2.000Zn+2 + 1.000H2O log_k 8.240 #References = LogK/DGf: 84nri; #References = LogK/DGf: 84nri; V°: 63wyc; Tenorite CuO + 2.000H+ = 1.000Cu+2 + 1.000H2O log_k 7.641 delta_h -64.396 #kJ/mol #Internal calculation -analytic -3.3656488E+2 -5.1335422E-2 2.073181E+4 1.2139698E+2 -9.25576E+5 #References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 98cha; Cp: 98cha; V°: 84pan; Thaumasite CaSiO3CaSO4CaCO3:15H2O + 3.000H+ = 1.000HCO3- + 3.000Ca+2 + 1.000SO4-2 + 1.000H4SiO4 + 14.000H2O log_k 10.314 delta_h -6.676 #kJ/mol #Internal calculation -analytic -3.0528975E+3 -4.6537E-1 1.6935031E+5 1.1096389E+3 -9.9357013E+6 #References = LogK/DGf: 10bbla/bou; DHf/DHr: Internal calculation; S°: 08sch/lot; Cp: 08sch/lot; V°: 10bbla/bou; Thenardite Na2SO4 = 2.000Na+ + 1.000SO4-2 log_k -0.340 delta_h -2.461 #kJ/mol #98cha -analytic -1.6163229E+3 -2.5323852E-1 8.9802804E+4 5.8641201E+2 -5.4004694E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 95rob/hem; Thermonatrite Na2CO3:H2O + 1.000H+ = 1.000HCO3- + 2.000Na+ + 1.000H2O log_k 10.808 delta_h -26.740 #kJ/mol #82van -analytic -8.5085649E+2 -1.2741559E-1 4.8473539E+4 3.1022149E+2 -2.7157318E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: 82van; S°: Internal calculation; Cp: 82van; V°: 95rob/hem; Thorianite ThO2 + 4.000H+ = 1.000Th+4 + 2.000H2O log_k 1.762 delta_h -113.777 #kJ/mol #89cox/wag -analytic -5.6583558E+2 -9.2404587E-2 3.2187789E+4 2.0247106E+2 -1.2277684E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 91kna/kub; V°: 95rob/hem; Titanite CaTiSiO5 + 2.000H+ + 3.000H2O = 1.000Ca+2 + 1.000H4SiO4 + 1.000Ti(OH)4 log_k 0.987 delta_h -60.702 #kJ/mol #Internal calculation -analytic -1.1182222E+3 -1.2215084E-1 6.4584624E+4 3.9390971E+2 -3.1728605E+6 #References = LogK/DGf: 78rob/hem,92cjoh; DHf/DHr: Internal calculation; S°: 78rob/hem,92cjoh; Cp: 78rob/hem,92cjoh; V°: 78rob/hem,92cjoh; Tl(OH)3 Tl(OH)3 + 3.000H+ = 1.000Tl+3 + 3.000H2O log_k -1.817 #References = LogK/DGf: 52lat; #References = LogK/DGf: 52lat; V°: Default value; Tl2CO3 Tl2CO3 + 1.000H+ = 1.000HCO3- + 2.000Tl+ log_k 6.531 delta_h 20.627 #kJ/mol #84pan/stu -analytic -7.2445801E+2 -1.1510541E-1 3.9838967E+4 2.6655188E+2 -2.4782051E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu; Tl2O Tl2O + 2.000H+ = 2.000Tl+ + 1.000H2O log_k 27.771 delta_h -106.097 #kJ/mol #84pan/stu -analytic -1.5896535E+2 -2.1453453E-2 1.5819395E+4 5.9637349E+1 -6.6619937E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu; Tl2O3 Tl2O3 + 6.000H+ = 2.000Tl+3 + 3.000H2O log_k -5.204 delta_h -69.882 #kJ/mol #84pan/stu -analytic -8.4542229E+2 -1.3480133E-1 4.4570052E+4 3.0451378E+2 -2.0070973E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu; Tl2S Tl2S + 1.000H+ = 1.000HS- + 2.000Tl+ log_k -7.145 delta_h 86.447 #kJ/mol #84pan/stu -analytic -7.7798985E+2 -1.2228106E-1 3.9977646E+4 2.8460764E+2 -2.758022E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu; Tl2SO4 Tl2SO4 = 1.000SO4-2 + 2.000Tl+ log_k -3.841 delta_h 33.555 #kJ/mol #84pan/stu -analytic -1.4949765E+3 -2.3643296E-1 8.253568E+4 5.4293922E+2 -5.2150211E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu; TlOH TlOH + 1.000H+ = 1.000Tl+ + 1.000H2O log_k 12.899 delta_h -41.580 #kJ/mol #82wag/eva -analytic -8.6203605E+1 -9.6627866E-3 7.6975327E+3 3.2277779E+1 -3.2919952E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; Cp: 82wag/eva; V°: 17abla; Tobermorite(11A) Ca5Si6H11O22.5 + 10.000H+ + 1.500H2O = 5.000Ca+2 + 6.000H4SiO4 log_k 65.578 delta_h -358.501 #kJ/mol #00zue/feh -analytic -3.473201E+3 -4.5588943E-1 2.2749211E+5 1.2371653E+3 -1.3297952E+7 #References = LogK/DGf: 10abla/bou; DHf/DHr: 00zue/feh; S°: Internal calculation; Cp: 10abla/bou; V°: 00mer/bon; Tobermorite(14A) Ca5Si6H21O27.5 + 10.000H+ = 5.000Ca+2 + 6.000H4SiO4 + 3.500H2O log_k 62.944 delta_h -293.421 #kJ/mol #10abla/bou -analytic -3.4830146E+3 -4.4941621E-1 2.246166E+5 1.2426661E+3 -1.3183989E+7 #References = LogK/DGf: 10abla/bou; DHf/DHr: 10abla/bou; S°: Internal calculation; Cp: 10abla/bou; V°: 10abla/bou; Tremolite (Ca2Mg5)Si8O22(OH)2 + 14.000H+ + 8.000H2O = 2.000Ca+2 + 5.000Mg+2 + 8.000H4SiO4 log_k 67.281 delta_h -502.247 #kJ/mol #95rob/hem -analytic -5.0977019E+3 -6.8545317E-1 3.2680746E+5 1.8129659E+3 -1.8919407E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 78hel/del,92ajoh; Troilite FeS + 1.000H+ = 1.000Fe+2 + 1.000HS- log_k -3.874 delta_h -6.179 #kJ/mol #05wal/pel -analytic -1.1310855E+3 -1.8225687E-1 6.1072624E+4 4.1080902E+2 -3.5386157E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05wal/pel; S°: 05wal/pel; Cp: 05wal/pel; V°: 63wyc; Trona(K) K2NaH(CO3)2:2H2O + 1.000H+ = 2.000HCO3- + 2.000K+ + 1.000Na+ + 2.000H2O log_k 11.556 #References = LogK/DGf: 84har/mol; #References = LogK/DGf: 84har/mol; V°: Default value; Trona(Na) Na3H(CO3)2:2H2O + 1.000H+ = 2.000HCO3- + 3.000Na+ + 2.000H2O log_k 9.276 delta_h 9.560 #kJ/mol #82van -analytic -1.5651037E+3 -2.3608538E-1 8.5975659E+4 5.7087653E+2 -4.9950918E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: 82van; S°: Internal calculation; Cp: 82van; V°: 95rob/hem; Truscottite Ca7Si12O29(OH)4:H2O + 14.000H+ + 14.000H2O = 7.000Ca+2 + 12.000H4SiO4 log_k 77.134 delta_h -451.092 #kJ/mol #10abla/bou -analytic -6.0499789E+3 -7.7969416E-1 3.9492302E+5 2.1453496E+3 -2.4314793E+7 #References = LogK/DGf: 10abla/bou; DHf/DHr: 10abla/bou; S°: Internal calculation; Cp: 10abla/bou; V°: 95ant/bid; Tsumebite Pb2Cu(PO4)(SO4)OH + 3.000H+ = 1.000Cu+2 + 1.000H2PO4- + 2.000Pb+2 + 1.000SO4-2 + 1.000H2O log_k -66.023 #References = LogK/DGf: 78ric/nri; #References = LogK/DGf: 78ric/nri; V°: 63wyc; U3O8 U3O8 + 4.000H+ = 2.000UO2+ + 1.000UO2+2 + 2.000H2O log_k -3.596 delta_h -66.279 #kJ/mol #89cox/wag -analytic -6.3791854E+2 -1.064687E-1 3.7678137E+4 2.2772712E+2 -2.115901E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89bar/sau; V°: 95rob/hem; Ulvospinel Fe2TiO4 + 4.000H+ = 2.000Fe+2 + 1.000Ti(OH)4 log_k 16.405 delta_h -201.464 #kJ/mol #Internal calculation -analytic -1.1197988E+3 -1.3358889E-1 6.8782645E+4 3.9491461E+2 -2.8317245E+6 #References = LogK/DGf: 95rob/hem; DHf/DHr: Internal calculation; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; UO3(gamma) UO3 + 2.000H+ = 1.000UO2+2 + 1.000H2O log_k 7.712 delta_h -81.129 #kJ/mol #89cox/wag -analytic -2.269251E+2 -3.9352914E-2 1.4461672E+4 8.2058913E+1 -4.6082093E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Uraninite UO2 + 4.000H+ = 1.000U+4 + 2.000H2O log_k -4.839 delta_h -77.857 #kJ/mol #Internal calculation -analytic -5.6919348E+2 -9.2992713E-2 3.0455139E+4 2.0361233E+2 -1.2349132E+6 #References = LogK/DGf: 97csho/sas; DHf/DHr: Internal calculation; S°: 97csho/sas; Cp: 97csho/sas; V°: 95rob/hem; Valentinite Sb2O3 + 3.000H2O = 2.000Sb(OH)3 log_k -8.516 delta_h 57.242 #kJ/mol #Internal calculation -analytic 1.8630582E+2 1.7323698E-2 -1.7580045E+4 -6.245816E+1 1.2023398E+6 #References = LogK/DGf: 03zot/shi; DHf/DHr: Internal calculation; S°: 03zot/shi; Cp: 03zot/shi; V°: 03zot/shi; Variscite AlPO4:2H2O + 2.000H+ = 1.000Al+3 + 1.000H2PO4- + 2.000H2O log_k -2.158 delta_h -59.250 #kJ/mol #Internal calculation -analytic -1.069096E+3 -1.7322356E-1 5.9751042E+4 3.8601185E+2 -3.2874639E+6 #References = LogK/DGf: 74nau/ryz; DHf/DHr: Internal calculation; S°: 66ega/wak; Cp: 74nau/ryz; V°: 63wyc; Vaterite CaCO3 + 1.000H+ = 1.000HCO3- + 1.000Ca+2 log_k 2.427 delta_h -29.630 #kJ/mol #87gar/par -analytic -8.8571443E+2 -1.3868709E-1 4.9073483E+4 3.2145911E+2 -2.7141083E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 87gar/par; S°: 87gar/par; V°: 95rob/hem; VermiculiteSO Ca0.445(Si2.778Al1.222)(Al0.216Mg2.475Fe0.254)O10(OH)2 + 10.888H+ = 1.438Al+3 + 0.445Ca+2 + 0.226Fe+3 + 2.475Mg+2 + 2.778H4SiO4 + 0.028Fe+2 + 0.888H2O log_k 45.904 delta_h -457.396 #kJ/mol #13gai/bla -analytic -2.8715623E+3 -4.1270713E-1 1.8439849E+5 1.0227505E+3 -9.6618206E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 13gai/bla; S°: 13gai/bla; Cp: 13gai/bla; V°: 13gai/bla; Vermiculite(Ca) Ca0.43Mg3.00Si3.14Al0.86O10(OH)2 + 9.440H+ + 0.560H2O = 0.860Al+3 + 0.430Ca+2 + 3.000Mg+2 + 3.140H4SiO4 log_k 39.563 delta_h -370.212 #kJ/mol #15bla/vie -analytic -2.7557327E+3 -3.7804175E-1 1.7755183E+5 9.7871075E+2 -9.7123719E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Vermiculite(K) K0.86Mg3.00Si3.14Al0.86O10(OH)2 + 9.440H+ + 0.560H2O = 0.860Al+3 + 0.860K+ + 3.000Mg+2 + 3.140H4SiO4 log_k 37.461 delta_h -328.213 #kJ/mol #15bla/vie -analytic -2.6971221E+3 -3.6798347E-1 1.7277164E+5 9.5883004E+2 -9.5777409E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Vermiculite(Mg) Mg0.43Mg3.00Si3.14Al0.86O10(OH)2 + 9.440H+ + 0.560H2O = 0.860Al+3 + 3.430Mg+2 + 3.140H4SiO4 log_k 38.058 delta_h -372.482 #kJ/mol #15bla/vie -analytic -2.7903207E+3 -3.8203185E-1 1.7949836E+5 9.9037974E+2 -9.8128256E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Vermiculite(Na) Na0.86Mg3.00Si3.14Al0.86O10(OH)2 + 9.440H+ + 0.560H2O = 0.860Al+3 + 3.000Mg+2 + 0.860Na+ + 3.140H4SiO4 log_k 38.405 delta_h -348.215 #kJ/mol #15bla/vie -analytic -2.7525898E+3 -3.7392402E-1 1.7669205E+5 9.7768226E+2 -9.7212455E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie; Vivianite Fe3(PO4)2:8H2O + 4.000H+ = 3.000Fe+2 + 2.000H2PO4- + 8.000H2O log_k -3.272 #References = LogK/DGf: 94alb/tom; #References = LogK/DGf: 94alb/tom; V°: 63wyc; Voltaite K2Fe9(SO4)12:18H2O = 5.000Fe+2 + 2.000K+ + 12.000SO4-2 + 4.000Fe+3 + 18.000H2O log_k -38.234 delta_h -347.300 #kJ/mol #02hem/sea -analytic -2.1081148E+4 -3.2380273E+0 1.1674091E+6 7.6171622E+3 -6.7145558E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: Default value; Vysotskite PdS + 1.000H+ = 1.000Pd+2 + 1.000HS- log_k -44.806 delta_h 232.566 #kJ/mol #Internal calculation -analytic -9.6498826E+2 -1.552161E-1 3.9896683E+4 3.5036221E+2 -3.0492371E+6 #References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho; Wairakite Ca(Al2Si4)O12:2H2O + 8.000H+ + 2.000H2O = 2.000Al+3 + 1.000Ca+2 + 4.000H4SiO4 log_k 14.444 delta_h -236.884 #kJ/mol #96kis/nav -analytic -2.659569E+3 -3.7206038E-1 1.6652132E+5 9.4388262E+2 -9.7025546E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 96kis/nav; S°: 96kis/nav; Cp: 07neu/wan; V°: 97coo/alb; Wavellite Al3(PO4)2(OH)3:5H2O + 7.000H+ = 3.000Al+3 + 2.000H2PO4- + 8.000H2O log_k 12.157 #References = LogK/DGf: 79vie/tar; #References = LogK/DGf: 79vie/tar; V°: 63wyc; Waylandite BiAl3(PO4)2(OH)6 + 10.000H+ = 3.000Al+3 + 1.000Bi+3 + 2.000H2PO4- + 6.000H2O log_k 10.927 #References = LogK/DGf: 04gab/vie; #References = LogK/DGf: 04gab/vie; V°: Default value; Weillite CaHAsO4 + 1.000H+ = 1.000H2AsO4- + 1.000Ca+2 log_k 2.360 #References = LogK/DGf: 01gas/aza; #References = LogK/DGf: 01gas/aza; V°: 00bla/bid; Westerveldite FeAs + 2.000H+ + 0.500H2O = 1.000AsH3 + 1.000Fe+2 + 0.250O2 log_k -30.680 delta_h 161.563 #kJ/mol #Internal calculation -analytic -1.3332249E+2 -2.0499916E-2 -3.2509983E+3 4.8822128E+1 -1.0207523E+5 #References = LogK/DGf: 08per/pok; DHf/DHr: Internal calculation; S°: 08per/pok; Cp: 08per/pok; V°: 08per/pok; Whitlockite(high) Ca3(PO4)2 + 4.000H+ = 3.000Ca+2 + 2.000H2PO4- log_k 10.120 delta_h -124.730 #kJ/mol #Internal calculation -analytic -1.9939171E+3 -3.2961925E-1 1.1275179E+5 7.2498167E+2 -6.2028155E+6 #References = LogK/DGf: 84nan; DHf/DHr: Internal calculation; S°: 84nan; Cp: 60kel; V°: 95rob/hem; Whitlockite(low) Ca3(PO4)2 + 4.000H+ = 3.000Ca+2 + 2.000H2PO4- log_k 8.393 delta_h -113.380 #kJ/mol #71par/wag -analytic -1.987741E+3 -3.2533142E-1 1.1250341E+5 7.2185701E+2 -6.2576605E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 71par/wag; S°: 71par/wag; Cp: 60kel; V°: 95rob/hem; Wollastonite CaSiO3 + 2.000H+ + 1.000H2O = 1.000Ca+2 + 1.000H4SiO4 log_k 14.047 delta_h -85.986 #kJ/mol #78hel/del,92ajoh -analytic -6.3184784E+2 -8.6944016E-2 4.1722732E+4 2.2563038E+2 -2.3494013E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del,92ajoh; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh; Woodhouseite CaAl3(PO4)(SO4)(OH)6 + 8.000H+ = 3.000Al+3 + 1.000Ca+2 + 1.000H2PO4- + 1.000SO4-2 + 6.000H2O log_k 8.893 #References = LogK/DGf: 04gab/vie; #References = LogK/DGf: 04gab/vie; V°: Default value; Wurtzite ZnS + 1.000H+ = 1.000HS- + 1.000Zn+2 log_k -9.198 delta_h 22.250 #kJ/mol #Internal calculation -analytic -9.7140397E+2 -1.5442373E-1 5.1494768E+4 3.5177355E+2 -3.1030426E+6 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Wustite Fe0.947O + 2.000H+ = 0.841Fe+2 + 0.106Fe+3 + 1.000H2O log_k 12.240 delta_h -100.444 #kJ/mol #98cha -analytic -3.339745E+2 -5.2002139E-2 2.2588799E+4 1.1992389E+2 -9.5903287E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 95rob/hem; Xonotlite Ca6Si6O17(OH)2 + 12.000H+ + 5.000H2O = 6.000Ca+2 + 6.000H4SiO4 log_k 91.335 delta_h -559.866 #kJ/mol #56new -analytic -3.8251338E+3 -5.1722865E-1 2.5680809E+5 1.3628531E+3 -1.448512E+7 #References = LogK/DGf: 10abla/bou; DHf/DHr: 56new; S°: Internal calculation; Cp: 10abla/bou; V°: 56den/tay; Yavapaiite KFe(SO4)2 = 1.000Fe+3 + 1.000K+ + 2.000SO4-2 log_k -5.569 delta_h -77.020 #kJ/mol #05for/dro -analytic -3.3189727E+3 -5.2021275E-1 1.8590158E+5 1.19909E+3 -1.0852279E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 05for/dro; S°: 05for/dro; V°: 90rob/cam; Zairite BiFe3(PO4)2(OH)6 + 10.000H+ = 1.000Bi+3 + 3.000Fe+3 + 2.000H2PO4- + 6.000H2O log_k -3.680 #References = LogK/DGf: 04gab/vie; #References = LogK/DGf: 04gab/vie; V°: Default value; ZeoliteP(Ca) Ca2Al4Si4O16:9H2O + 16.000H+ = 4.000Al+3 + 2.000Ca+2 + 4.000H4SiO4 + 9.000H2O log_k 45.159 delta_h -527.740 #kJ/mol #10bbla/bou -analytic -3.9631092E+3 -5.6691115E-1 2.5021425E+5 1.4103537E+3 -1.349029E+7 #References = LogK/DGf: 08bla; DHf/DHr: 10bbla/bou; S°: Internal calculation; Cp: 10vie; V°: 97coo/alb; Zincite ZnO + 2.000H+ = 1.000Zn+2 + 1.000H2O log_k 11.193 delta_h -88.728 #kJ/mol #13pow/bro -analytic -3.4633277E+2 -5.231005E-2 2.2726463E+4 1.2447389E+2 -9.8716955E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 13pow/bro; S°: 89cox/wag; Cp: 95rob/hem; V°: 95rob/hem; Zn3(PO4)2 Zn3(PO4)2 + 4.000H+ = 2.000H2PO4- + 3.000Zn+2 log_k 14.468 delta_h -165.756 #kJ/mol #84vie/tar, after 74avol/yag -analytic -2.3046635E+3 -3.5529587E-1 1.3201826E+5 8.3298135E+2 -7.0124985E+6 #References = LogK/DGf: 84vie/tar,after 78yag; DHf/DHr: 84vie/tar, after 74avol/yag; S°: Internal calculation; V°: Default value; Zn3(PO4)2:2H2O Zn3(PO4)2:2H2O + 4.000H+ = 2.000H2PO4- + 3.000Zn+2 + 2.000H2O log_k 8.230 delta_h -120.716 #kJ/mol #84vie/tar, after 78yag -analytic -2.3562013E+3 -3.5545285E-1 1.3202018E+5 8.5130184E+2 -7.0118601E+6 #References = LogK/DGf: 84vie/tar,after 78yag; DHf/DHr: 84vie/tar, after 78yag; S°: Internal calculation; V°: Default value; Zn3(PO4)2:H2O Zn3(PO4)2:H2O + 4.000H+ = 2.000H2PO4- + 3.000Zn+2 + 1.000H2O log_k 10.902 delta_h -139.486 #kJ/mol #84vie/tar, after 78yag -analytic -2.3302222E+3 -3.5537436E-1 1.3182335E+5 8.4214159E+2 -7.0121793E+6 #References = LogK/DGf: 84vie/tar,after 78yag; DHf/DHr: 84vie/tar, after 78yag; S°: Internal calculation; V°: Default value; Zn5(PO4)3Cl Zn5(PO4)3Cl + 6.000H+ = 1.000Cl- + 3.000H2PO4- + 5.000Zn+2 log_k 24.843 #References = LogK/DGf: 76nri; #References = LogK/DGf: 76nri; V°: Default value; Zn5(PO4)3OH Zn5(PO4)3OH + 7.000H+ = 3.000H2PO4- + 5.000Zn+2 + 1.000H2O log_k 13.177 #References = LogK/DGf: 84nri; #References = LogK/DGf: 84nri; V°: Default value; ZnHPO4 ZnHPO4 + 1.000H+ = 1.000H2PO4- + 1.000Zn+2 log_k -2.333 delta_h -80.033 #kJ/mol #Internal calculation -analytic -9.9029332E+2 -1.5077953E-1 5.670674E+4 3.5415923E+2 -2.9889615E+6 #References = LogK/DGf: 06pia/bod; DHf/DHr: Internal calculation; S°: 78hel/del,92ajoh; V°: Default value; ZnSiO3glass ZnSiO3 + 2.000H+ + 1.000H2O = 1.000H4SiO4 + 1.000Zn+2 log_k 1.758 delta_h -89.311 #kJ/mol #Internal calculation -analytic -7.6264982E+2 -9.6666895E-2 4.8514609E+4 2.6693933E+2 -2.668003E+6 #References = LogK/DGf: 92plo/wic; DHf/DHr: Internal calculation; S°: 95rob/hem; V°: Default value; Zoisite Ca2Al3Si3O12(OH) + 13.000H+ = 3.000Al+3 + 2.000Ca+2 + 3.000H4SiO4 + 1.000H2O log_k 43.848 delta_h -485.113 #kJ/mol #01sme/fra -analytic -3.1722373E+3 -4.6912132E-1 2.0150433E+5 1.1315082E+3 -1.0643978E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 01sme/fra; S°: 04got; Cp: 04got; V°: 04got; Actinolite Ca2(Mg2.25Fe2.5Al0.25)(Si7.75Al0.25)O22(OH)2 + 15.000H+ + 7.000H2O = 0.500Al+3 + 2.000Ca+2 + 2.500Fe+2 + 2.250Mg+2 + 7.750H4SiO4 log_k 7.128 delta_h -181.662 #kJ/mol #19bla/lac -analytic -5.0954182E+3 -6.949504E-1 3.0825312E+5 1.8133351E+3 -1.8767155E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 19bla/lac; S°: 19bla/lac; Cp: 19bla/lac; V°: 19bla/lac; Zn(OH)2_e Zn(OH)2 + 2.000H+ = 1.000Zn+2 + 2.000H2O log_k 11.382 delta_h -100.000 #kJ/mol #13pow/bro -analytic -4.0154128E+2 -5.3893789E-2 2.5885353E+4 1.4298338E+2 -1.0339371E+6 #References = LogK/DGf: 13pow/bro; DHf/DHr: 13pow/bro; S°: Internal calculation; V°: Default value; Zn(OH)2_b1 Zn(OH)2 + 2.000H+ = 1.000Zn+2 + 2.000H2O log_k 11.722 #References = LogK/DGf: 13pow/bro; #References = LogK/DGf: 13pow/bro; V°: Default value; Zn(OH)2_b2 Zn(OH)2 + 2.000H+ = 1.000Zn+2 + 2.000H2O log_k 11.762 #References = LogK/DGf: 13pow/bro; #References = LogK/DGf: 13pow/bro; V°: Default value; Zn(OH)2_g Zn(OH)2 + 2.000H+ = 1.000Zn+2 + 2.000H2O log_k 11.702 #References = LogK/DGf: 13pow/bro; #References = LogK/DGf: 13pow/bro; V°: Default value; Zn(OH)2_d Zn(OH)2 + 2.000H+ = 1.000Zn+2 + 2.000H2O log_k 11.812 #References = LogK/DGf: 13pow/bro; #References = LogK/DGf: 13pow/bro; V°: Default value; Hydrozincite Zn5(OH)6(CO3)2 + 8.000H+ = 2.000HCO3- + 5.000Zn+2 + 6.000H2O log_k 26.856 delta_h -277.767 #kJ/mol #13pow/bro -analytic -2.9831904E+3 -4.658426E-1 1.7180254E+5 1.0796095E+3 -8.7750572E+6 #References = LogK/DGf: 13pow/bro; DHf/DHr: 13pow/bro; S°: Internal calculation; Cp: 01pre/gam; V°: 63wyc; Hydrozincite(mc) Zn5(OH)6(CO3)2 + 8.000H+ = 2.000HCO3- + 5.000Zn+2 + 6.000H2O log_k 29.706 delta_h -277.767 #kJ/mol #13pow/bro -analytic -2.9803404E+3 -4.658426E-1 1.7180254E+5 1.0796095E+3 -8.7750572E+6 #References = LogK/DGf: 13pow/bro; DHf/DHr: 13pow/bro; S°: Internal calculation; Cp: 01pre/gam; V°: 63wyc; Hopeite(para) Zn3(PO4)2:4H2O + 4.000H+ = 2.000H2PO4- + 3.000Zn+2 + 4.000H2O log_k 10.208 delta_h -130.926 #kJ/mol #84vie/tar -analytic -2.3043984E+3 -3.3859121E-1 1.2947956E+5 8.3124079E+2 -6.7177024E+6 #References = LogK/DGf: 84vie/tar; DHf/DHr: 84vie/tar; S°: Internal calculation; V°: 63wyc; # PMATCH GASES Ar(g) Ar = 1.000Ar log_k -2.853 delta_h -12.011 #kJ/mol #Internal calculation -analytic 1.0247144E+2 2.1560163E-2 -6.0959431E+3 -3.9305133E+1 5.2903083E+5 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig; Br2(g) Br2 + 2.500O2 + 1.000H2O = 2.000BrO3- + 2.000H+ log_k -40.272 delta_h 151.078 #kJ/mol #89cox/wag -analytic -1.4934932E+3 -2.4330708E-1 7.9796062E+4 5.3553448E+2 -5.9575741E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: Default value; CH4(g) CH4 = 1.000CH4 log_k -2.852 delta_h -13.033 #kJ/mol #98cha -analytic 2.1637472E+2 3.7708343E-2 -1.3407085E+4 -7.9787987E+1 1.0603213E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 18sig; Cl2(g) Cl2 + 1.500O2 + 1.000H2O = 2.000ClO2- + 2.000H+ log_k -43.202 delta_h 170.910 #kJ/mol #By convention -analytic -1.4601846E+3 -2.3497967E-1 7.4365808E+4 5.2470839E+2 -5.3993088E+6 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: Default value; CO(g) CO = 1.000CO log_k -3.028 delta_h -10.429 #kJ/mol #89cox/wag -analytic 2.0392287E+2 3.3602805E-2 -1.3511248E+4 -7.4398193E+1 1.1059156E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig; CO2(g) CO2 + 1.000H2O = 1.000HCO3- + 1.000H+ log_k -7.821 delta_h -10.590 #kJ/mol #89cox/wag -analytic -5.7507055E+2 -9.3141147E-2 3.1611113E+4 2.061746E+2 -1.8818659E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig; F2(g) F2 + 1.000H2O = 2.000F- + 0.500O2 + 2.000H+ log_k 55.651 delta_h -390.937 #kJ/mol #By convention -analytic -1.2945503E+3 -2.073214E-1 8.9896765E+4 4.6733048E+2 -4.0784041E+6 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: Default value; H2(g) H2 + 0.500O2 = 1.000H2O log_k 43.001 delta_h -279.763 #kJ/mol #By convention -analytic -9.7000832E+1 -1.3278572E-2 2.0554694E+4 3.2310915E+1 -4.3832674E+5 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig; H2O(g) H2O = 1.000H2O log_k 1.506 delta_h -44.004 #kJ/mol #89cox/wag -analytic -2.3213898E+1 -4.7007593E-4 3.0569287E+3 5.9253123E+0 -4.8803037E+3 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: Default value; H2S(g) H2S = 1.000HS- + 1.000H+ log_k -7.998 delta_h 4.300 #kJ/mol #89cox/wag -analytic -7.7127715E+2 -1.2255518E-1 4.1397856E+4 2.7827756E+2 -2.4543375E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig; HCl(g) HCl = 1.000Cl- + 1.000H+ log_k 6.299 delta_h -74.770 #kJ/mol #89cox/wag -analytic -6.3720253E+2 -1.0269569E-1 3.8570655E+4 2.2966638E+2 -2.0926463E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: Default value; He(g) He = 1.000He log_k -3.409 delta_h -0.634 #kJ/mol #By convention -analytic 1.0815628E+2 2.2564863E-2 -6.7331757E+3 -4.1022233E+1 5.1535315E+5 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: Default value; Hg(CH3)2(g) Hg(CH3)2 + 2.000H+ = 1.000Hg+2 + 2.000CH4 log_k 8.824 delta_h -99.993 #kJ/mol #82wag/eva -analytic 1.1863116E+2 2.4722443E-2 -6.5144924E+3 -4.4108004E+1 1.2279784E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; Cp: 82wag/eva; V°: Default value; Hg(g) Hg = 1.000Hg log_k -0.918 delta_h -48.877 #kJ/mol #89cox/wag -analytic 1.4728083E+2 2.7804157E-2 -1.0282255E+4 -5.4874827E+1 1.2251378E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: Default value; I2(g) I2 + 2.500O2 + 1.000H2O = 2.000IO3- + 2.000H+ log_k 13.953 delta_h -188.798 #kJ/mol #89cox/wag -analytic -1.574445E+3 -2.5535266E-1 1.0104771E+5 5.6345195E+2 -6.0989611E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: Default value; Kr(g) Kr = 1.000Kr log_k -2.599 delta_h -15.265 #kJ/mol #By convention -analytic 1.5418658E+2 2.7181652E-2 -1.0135989E+4 -5.6952629E+1 8.9175105E+5 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: Default value; N2(g) N2 = 1.000N2 log_k -3.181 delta_h -10.374 #kJ/mol #By convention -analytic 1.9129523E+2 3.2723886E-2 -1.2195873E+4 -7.0432157E+1 9.7360057E+5 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig; Ne(g) Ne = 1.000Ne log_k -3.340 delta_h -3.645 #kJ/mol #By convention -analytic 1.0930207E+2 2.2477932E-2 -6.8539283E+3 -4.1431746E+1 5.4794274E+5 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: Default value; NH3(g) NH3 = 1.000NH3 log_k 1.810 delta_h -35.627 #kJ/mol #89cox/wag -analytic -1.0678705E+2 -7.8888089E-3 8.4083244E+3 3.5264156E+1 -4.0102535E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: Default value; O2(g) O2 = 1.000O2 log_k -2.893 delta_h -12.134 #kJ/mol #By convention -analytic 1.7801783E+2 3.0292392E-2 -1.1471729E+4 -6.5497059E+1 9.4241338E+5 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig; S2(g) S2 + 2.000H2O = 2.000HS- + 1.000O2 + 2.000H+ log_k -76.315 delta_h 398.326 #kJ/mol #89cox/wag -analytic -1.1105401E+3 -1.797198E-1 3.8238562E+4 4.0321915E+2 -3.3942654E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: Default value; SO2(g) SO2 + 1.000H2O = 1.000SO3-2 + 2.000H+ log_k -8.936 delta_h -48.420 #kJ/mol #89cox/wag -analytic -9.4894252E+2 -1.528595E-1 5.5815518E+4 3.3827315E+2 -3.4365885E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig; Xe(g) Xe = 1.000Xe log_k -2.358 delta_h -18.860 #kJ/mol #By convention -analytic 2.4653496E+2 3.8234446E-2 -1.6842452E+4 -8.8953639E+1 1.4495917E+6 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: Default value; References # 00bru/dur Bruno J. and Duro L. 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