#####PHREEQC database based on the thesis of M. CHERIF ##### (Cherif 2017 )Modélisation dynamique de la (bio)disponibilité des radionucléides dans les sols : approche comparative modèles-expériences appliquée au transfert de césium dans la rhizosphère #####(Cherif 2017) A robust and parsimonious model for caesium sorption on clay minerals and natural clay materials. SURFACE_MASTER_SPECIES # master species (like for species in solution) Illitex IllitexOH+0.5 Montx MontxOH+0.5 Kaolinitex KaolinitexOH+0.5 SURFACE_SPECIES # list of chemical reactions (like for species in solution) ################# illite IllitexOH+0.5 = IllitexOH+0.5 Log_k 0.0 IllitexOH+0.5 = IllitexO-0.5 + H+ Log_k -3.46 IllitexOH+0.5 + Cs+ = IllitexOCs+0.5 + H+ Log_k 5.2 IllitexOH+0.5 + Na+ = IllitexONa+0.5 + H+ Log_k -1.8 IllitexOH+0.5 + K+ = IllitexOK+0.5 + H+ Log_k 0.6 IllitexOH+0.5 + Ca+2 = IllitexOCa+1.5 + H+ Log_k -5 IllitexOH+0.5 + NH4+ = IllitexONH4+0.5 + H+ Log_k 1.5 ################### montmorillonite_SOH MontxOH+0.5 = MontxOH+0.5 Log_k 0.0 MontxOH+0.5 = MontxO-0.5 + H+ Log_k -3.4 MontxOH+0.5 + Cs+ = MontxOCs+0.5 + H+ Log_k 4.3 MontxOH+0.5 + Na+ = MontxONa+0.5 + H+ Log_k -1.3 MontxOH+0.5 + Ca+2 = MontxOCa+1.5 + H+ Log_k -1.4 MontxOH+0.5 + K+ = MontxOK+0.5 + H+ Log_k 0.1 #MontxOH+0.5 + NH4+ = MontxONH4+0.5 + H+ #Log_k 0.1 ############## kaolinite_SOH KaolinitexOH+0.5 = KaolinitexOH+0.5 Log_k 0.0 KaolinitexOH+0.5 = KaolinitexO-0.5 + H+ Log_k -4.36 KaolinitexOH+0.5 + Cs+ = KaolinitexOCs+0.5 + H+ Log_k 1.8 KaolinitexOH+0.5 + Na+ = KaolinitexONa+0.5 + H+ Log_k -4.15 KaolinitexOH+0.5 + K+ = KaolinitexOK+0.5 + H+ Log_k -1.6 KaolinitexOH+0.5 + NH4+ = KaolinitexONH4+0.5 + H+ Log_k -1.6 KaolinitexOH+0.5 + Ca+2 = KaolinitexOCa+1.5 + H+ Log_k -5.9 EXCHANGE_MASTER_SPECIES Illi Illi- # Illite Mont Mont- #Montmorillionite Kao Kao- # Kaolinite #M_o M_o- #M.O EXCHANGE_SPECIES #### Illite Illi- = Illi- Log_k 0 Ca+2 + 2Illi- = CaIlli2 Log_k 0 Cs+ + Illi- = CsIlli Log_k 2.6 K+ + Illi- = KIlli Log_k 1.65 Mg+2 + 2Illi- = MgIlli2 Log_k 0 Na+ + Illi- = NaIlli Log_k 0.15 #### Montmorillionite Mont- = Mont- Log_k 0 Ca+2 + 2Mont- = CaMont2 Log_k 0 Cs+ + Mont- = CsMont Log_k 0.85 K+ + Mont- = KMont Log_k 0.05 Mg+2 + 2Mont- = MgMont2 Log_k -0.75 Na+ + Mont- = NaMont Log_k -0.54 #### Kaolinite Kao- = Kao- Log_k 0 Ca+2 + 2Kao- = CaKao2 Log_k 0 Cs+ + Kao- = CsKao Log_k 2.245 K+ + Kao- = KKao Log_k 0.145 Na+ + Kao- = NaKao Log_k 0.145 ### M.O #M_o- = M_o- #Log_k 0 #Ca+2 + 2M_o- = CaM_o2 #Log_k -1 #K+ + M_o- = KM_o #log_k 2 #Na+ + M_o- = NaM_o #Log_k 1 #Mg+2 + 2M_o- = MgM_o2 #Log_k 0 # PHREEQC database # Base de Donnee Thermoddem_MAJ2016_final6d # Version V1.10 # BDD Date : 6/6/2017 6:13:45 PM # Converted on 6/6/2017 6:15:22 PM by ThermoBridge 1.0.3.1 # 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 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 -85.989 delta_H 559.524 kJ/mol # -analytic 1.663E+2 2.28432E-2 -3.9534E+4 -5.46895E+1 7.84351E+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: 06bla/pia; DHf/DHr: Internal calculation; S°: 06bla/pia; V°: Default value; 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: 97asho/sas; DHf/DHr: Internal calculation; 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: 00deb/cas; DHf/DHr: Internal calculation; S°: 00deb/cas; 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 -12.128 delta_h 23.455 #kJ/mol #88sho/hel -analytic -1.9545242E+2 -3.567574E-2 8.4215763E+3 6.9552741E+1 -5.67903E+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 -155.192 delta_h 953.551 #kJ/mol #Internal calculation -analytic 1.0159238E+3 1.6805983E-1 -1.0965093E+5 -3.6367194E+2 4.1273705E+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 -4.358 delta_h -59.461 #kJ/mol #97asho/sas -analytic -4.5876162E+2 -7.4638795E-2 2.6557937E+4 1.6273978E+2 -1.342931E+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 7.063 delta_h -45.557 #kJ/mol #88sho/hel -analytic 1.3830453E+3 2.2559836E-1 -7.4051421E+4 -5.0402367E+2 4.6489958E+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 -1.2104679E+2 -1.7516604E-2 5.9244002E+3 4.1227992E+1 -5.8077025E+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 -1.8193567E+2 -2.9510373E-2 9.4047169E+3 6.263996E+1 -1.1512394E+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 -1.9678394E+2 -3.302956E-2 6.1026295E+3 6.766923E+1 -1.2784539E+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 2.8079839E+2 4.6296401E-2 -4.4215047E+4 -9.8299823E+1 1.0564236E+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 -8.043 delta_h -15.531 #kJ/mol #97asho/sas -analytic -9.12074E+1 -1.6510454E-2 1.8397086E+3 3.1983392E+1 2.467589E+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 -144.118 delta_h 863.586 #kJ/mol #01sch/sho -analytic 1.1089192E+3 1.7911561E-1 -1.1128796E+5 -3.9785644E+2 4.5594397E+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 -1.2718224E+2 -1.75488E-2 4.9174306E+3 4.363286E+1 -6.3414787E+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 1.8317231E+2 4.4104676E-2 -1.0240138E+4 -7.2560388E+1 -1.831063E+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 -23.095 delta_h 112.653 #kJ/mol #97asho/sas -analytic -1.6180803E+2 -2.4105525E-2 5.1854867E+3 5.5981597E+1 -8.9022279E+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 -1.7354285E+2 -2.7188036E-2 8.414888E+3 5.9993829E+1 -1.090942E+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 -2.6467008E+2 -4.0305028E-2 1.5479728E+4 9.1600645E+1 -1.56335E+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 -56.049 delta_h 344.462 #kJ/mol #97asho/sas -analytic 1.6302091E+2 2.3952878E-2 -2.8712128E+4 -5.6276591E+1 8.3044551E+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 -41.718 delta_h 277.073 #kJ/mol #93sho/mck, 01sch/sho -analytic 8.746106E+2 1.4252797E-1 -6.5750756E+4 -3.1413793E+2 3.4685499E+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 -18.752 delta_h 137.506 #kJ/mol #04chi -analytic 1.1571011E+3 1.9229541E-1 -7.4152807E+4 -4.1812509E+2 4.4577016E+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 9.124 delta_h -85.176 #kJ/mol #04chi -analytic 9.417606E+2 1.5606615E-1 -5.1484286E+4 -3.4311234E+2 3.7798299E+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 -18.664 delta_h 145.276 #kJ/mol #Internal calculation -analytic 2.5350816E+2 4.0507587E-2 -2.1379261E+4 -8.9803E+1 8.5944041E+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 -62.472 delta_h 418.654 #kJ/mol #97asho/sas -analytic 2.4185668E+2 4.0042984E-2 -3.4676181E+4 -8.4491811E+1 8.0949201E+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 -54.002 delta_h 249.675 #kJ/mol #97asho/sas -analytic -1.1901749E+2 -2.1139467E-2 -9.5987444E+3 4.1769656E+1 1.3871274E+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 -71.561 delta_h 472.033 #kJ/mol #97asho/sas -analytic 2.4851675E+2 4.1004154E-2 -3.7974416E+4 -8.6710913E+1 8.5549067E+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 -75.113 delta_h 373.168 #kJ/mol #97asho/sas -analytic -1.1417897E+2 -2.0370401E-2 -1.6385901E+4 4.0248554E+1 4.4963541E+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 2.5415948E+2 4.1772209E-2 -2.5139226E+4 -8.8824245E+1 8.9415907E+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 -82.809 delta_h 412.235 #kJ/mol #97asho/sas -analytic -1.127134E+2 -2.0259799E-2 -1.8757949E+4 3.9575168E+1 8.2924517E+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 8.489 delta_h -98.882 #kJ/mol #95par/kho -analytic -2.0405398E+2 -3.4037294E-2 1.5615559E+4 7.1674877E+1 -6.2565545E+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 547.321 #kJ/mol #97asho/sas -analytic 2.5024202E+2 4.1272782E-2 -4.2216249E+4 -8.7807587E+1 8.8400708E+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 -104.368 delta_h 525.766 #kJ/mol #97asho/sas -analytic -1.1663602E+2 -2.0890525E-2 -2.4510331E+4 4.0407056E+1 6.4033712E+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 -46.071 delta_h 275.563 #kJ/mol #82wag/eva -analytic 1.678481E+2 3.0016048E-2 -2.5153589E+4 -5.9825997E+1 8.4742769E+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 2.9326992E+2 4.8837651E-2 -2.8918197E+4 -1.0408672E+2 1.4357887E+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 -112.400 delta_h 676.548 #kJ/mol #97asho/sas -analytic 1.8769966E+2 3.1944258E-2 -4.7396437E+4 -6.5257379E+1 9.6182614E+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 1.6598506E+2 2.7516765E-2 -2.7411253E+4 -5.7969715E+1 7.8621384E+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 -20.648 delta_h 122.056 #kJ/mol #Internal calculation -analytic 5.3682508E+2 8.594179E-2 -4.018447E+4 -1.9239623E+2 2.467169E+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 -12.201 delta_h 106.213 #kJ/mol #89cox/wag -analytic 4.1563065E+2 6.3166454E-2 -2.8380355E+4 -1.4830773E+2 1.3779442E+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 2.4568932E+2 4.0689948E-2 -3.6770012E+4 -8.5954791E+1 8.3735341E+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 -74.453 delta_h 365.036 #kJ/mol #97asho/sas -analytic -1.1652943E+2 -2.0653226E-2 -1.5839935E+4 4.0809201E+1 3.3943026E+4 #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 -138.287 delta_h 868.772 #kJ/mol #89cox/wag -analytic 1.0441996E+3 1.6867288E-1 -1.0699902E+5 -3.724144E+2 4.2326691E+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 9.3741229E+2 1.5397729E-1 -8.0713204E+4 -3.3561018E+2 3.6442211E+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 8.9276681E+2 1.4042347E-1 -5.7825399E+4 -3.2083393E+2 3.1992361E+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 24.721 delta_h -160.570 #kJ/mol #88sho/hel -analytic 1.3179538E+3 2.1952817E-1 -6.4111456E+4 -4.8220423E+2 4.4027398E+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 -1.92196E+2 -2.7455327E-2 1.4161844E+4 6.5360502E+1 -8.6679125E+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 -2.516545E+2 -3.9000377E-2 2.4364223E+4 8.6616101E+1 -1.3404516E+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 -1.9590197E+2 -3.1524516E-2 1.8212346E+4 6.697838E+1 -1.2936913E+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 -84.755 delta_h 547.220 #kJ/mol #97asho/sas -analytic 2.5090096E+2 4.0755619E-2 -4.2260481E+4 -8.7340105E+1 8.9355822E+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 -115.135 delta_h 603.486 #kJ/mol #97asho/sas -analytic -1.178367E+2 -2.1093167E-2 -2.8087009E+4 4.1644657E+1 1.3168582E+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 -2.2234346E+2 -3.720933E-2 1.4113871E+4 7.6981715E+1 -7.465544E+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 -20.211 delta_h 121.692 #kJ/mol #97asho/sas -analytic -3.597212E+2 -6.3529128E-2 1.6759082E+4 1.3021059E+2 -1.7739534E+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 -32.325 delta_h 149.866 #kJ/mol #97asho/sas -analytic -1.1624501E+3 -1.9323874E-1 5.9725768E+4 4.1963486E+2 -4.5283485E+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 116.439 delta_h -686.530 #kJ/mol #89bsho/hel, 01sch/sho -analytic 1.3732258E+2 1.1139858E-2 2.6639639E+4 -4.8557772E+1 5.865786E+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 2.7277403E+2 4.4517707E-2 -3.7862697E+4 -9.5455702E+1 1.011018E+6 #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 -61.772 delta_h 293.526 #kJ/mol #97asho/sas -analytic -1.0028691E+2 -1.8225153E-2 -1.3620816E+4 3.5371087E+1 1.8753434E+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 46.859 delta_h -290.816 #kJ/mol #97asho/sas -analytic -7.5927886E+2 -1.2805697E-1 5.9191879E+4 2.7442778E+2 -2.9571437E+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 62.094 delta_h -386.885 #kJ/mol #97asho/sas -analytic -8.0875831E+2 -1.3670731E-1 6.7677903E+4 2.9149633E+2 -3.2596944E+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 -85.989 delta_h 559.524 #kJ/mol #By convention -analytic 1.6630014E+2 2.2843205E-2 -3.9533953E+4 -5.4689515E+1 7.8435072E+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 -209.461 delta_h 1267.173 #kJ/mol #01sch/sho -analytic 1.0769588E+3 1.7678148E-1 -1.3003333E+5 -3.8505604E+2 4.427175E+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 -69.362 delta_h 453.618 #kJ/mol #97asho/sas -analytic 2.7293959E+2 4.4959869E-2 -3.8905151E+4 -9.5645441E+1 1.0178437E+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 -69.249 delta_h 335.579 #kJ/mol #97asho/sas -analytic -9.5148213E+1 -1.7093712E-2 -1.6091167E+4 3.3403725E+1 2.0540448E+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 -72.734 delta_h 476.108 #kJ/mol #97asho/sas -analytic 2.7112131E+2 4.4675819E-2 -3.9680137E+4 -9.4959911E+1 9.6754566E+5 #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 -44.400 delta_h 195.239 #kJ/mol #97asho/sas -analytic -1.0071753E+2 -1.7983179E-2 -8.2411833E+3 3.5394915E+1 1.5449648E+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 3.355 delta_h -71.111 #kJ/mol #97asho/sas,98sas/sho -analytic -2.1919534E+2 -3.6687252E-2 1.5449654E+4 7.6841782E+1 -7.5287215E+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 1.392 delta_h 24.827 #kJ/mol #98sas/sho -analytic 1.1618269E+3 1.92855E-1 -6.7651355E+4 -4.2020415E+2 4.3324314E+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 18.829 delta_h -127.532 #kJ/mol #98sas/sho -analytic 9.4866694E+2 1.5727663E-1 -4.8624208E+4 -3.4543173E+2 3.653927E+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 -133.414 delta_h 856.296 #kJ/mol #04chi -analytic 1.7543425E+3 2.8241381E-1 -1.4584847E+5 -6.2953346E+2 6.6633819E+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 -118.282 delta_h 761.149 #kJ/mol #04chi -analytic 1.7105368E+3 2.7439703E-1 -1.3774623E+5 -6.1444789E+2 6.3811047E+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 -50.824 delta_h 353.589 #kJ/mol #97asho/sas -analytic 1.581889E+3 2.5151708E-1 -1.0765268E+5 -5.6979731E+2 5.6263157E+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 -22.380 delta_h 194.179 #kJ/mol #97asho/sas -analytic 1.5486009E+3 2.4379827E-1 -9.6001833E+4 -5.5802407E+2 5.2550472E+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 -6.007863E+1 -1.0501225E-2 8.5380545E+3 2.1214066E+1 -3.4988989E+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 2.6489572E+2 4.333311E-2 -3.1981354E+4 -9.2870498E+1 1.0039474E+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 -65.877 delta_h 315.460 #kJ/mol #97asho/sas -analytic -1.0011292E+2 -1.8166689E-2 -1.4758201E+4 3.5194252E+1 1.8363484E+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 9.671919E+1 1.4160755E-2 -2.0794683E+4 -3.3793084E+1 5.1632279E+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 2.5740756E+2 4.260087E-2 -4.0974481E+4 -9.0086045E+1 8.908254E+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 -30.766 delta_h 115.296 #kJ/mol #97asho/sas -analytic -1.1010325E+2 -1.9543153E-2 -3.2691106E+3 3.8507867E+1 7.4980676E+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 -0.282 delta_h -88.585 #kJ/mol #Internal calculation -analytic -4.0815388E+2 -6.7212309E-2 2.4460175E+4 1.4457796E+2 -1.0558311E+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 -59.833 delta_h 403.343 #kJ/mol #97asho/sas -analytic 2.4909332E+2 4.1165999E-2 -3.4445075E+4 -8.7029204E+1 8.6023434E+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 -73.647 delta_h 363.428 #kJ/mol #97asho/sas -analytic -1.138977E+2 -2.025512E-2 -1.5886523E+4 4.0041464E+1 4.3885574E+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 -65.060 delta_h 377.959 #kJ/mol #97asho/sas -analytic -1.10532E+2 -1.4518639E-2 -1.3646509E+4 4.0112255E+1 -3.2744519E+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 -33.960 delta_h 136.009 #kJ/mol #97asho/sas -analytic -2.20067E+2 -3.4137081E-2 1.5178236E+3 7.8294708E+1 -2.258944E+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 7.6747052E+1 1.4647725E-2 -8.7698994E+3 -2.8561979E+1 -9.3249141E+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 -1.8041743E+0 6.8849232E-4 -1.1973342E+4 8.7119862E-1 -1.7271697E+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 -15.723 delta_h 79.603 #kJ/mol #97asho/sas -analytic -1.7305776E+2 -2.7610019E-2 5.6212935E+3 6.2132739E+1 -6.2497713E+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 -1.2416778E+1 -2.7024561E-3 5.3806338E+3 2.854646E+0 -6.4950201E+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 2.4719715E+2 4.082987E-2 -2.8159224E+4 -8.6573955E+1 8.8891177E+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 -93.280 delta_h 473.623 #kJ/mol #97asho/sas -analytic -1.1118408E+2 -1.9780747E-2 -2.1903921E+4 3.89954E+1 6.9017559E+4 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 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 8.4652298E+1 7.6902866E-3 -5.337793E+3 -3.2488587E+1 3.3102063E+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 -4.5906538E+2 -8.6232054E-2 2.0926781E+4 1.650084E+2 -1.0835058E+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 1.0878197E+3 1.6776848E-1 -5.5051823E+4 -3.9447471E+2 3.5995886E+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 -24.209 delta_h 93.954 #kJ/mol #01aki/zot -analytic -4.5566234E+2 -8.2107414E-2 2.0308393E+4 1.6433477E+2 -1.6726703E+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 7.1369537E+2 1.1107372E-1 -3.7903391E+4 -2.5933708E+2 2.249134E+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 1.0064142E+3 1.5935088E-1 -5.3662908E+4 -3.6576586E+2 3.2264161E+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 8.7084324E+2 1.3956023E-1 -4.8314277E+4 -3.1622045E+2 3.3094295E+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 8.4377933E+2 1.3674476E-1 -4.7784012E+4 -3.0721551E+2 3.534257E+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 8.2473024E+2 1.2774339E-1 -4.5563615E+4 -2.9905499E+2 2.7055851E+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 5.3646667E+2 7.763305E-2 -2.7629822E+4 -1.9493049E+2 1.4774453E+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 7.3850076E+2 1.1292081E-1 -3.6606458E+4 -2.6768226E+2 2.3626982E+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 7.2343138E+2 1.0880051E-1 -4.1228559E+4 -2.6135699E+2 2.5664556E+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 -24.006 delta_h 111.633 #kJ/mol #97asho/sas -analytic -5.2357464E+2 -8.9983563E-2 2.3207407E+4 1.8971913E+2 -1.8568625E+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 -11.898 delta_h 49.628 #kJ/mol #01aki/zot -analytic 7.5445166E+1 5.7286823E-3 -6.1926939E+3 -2.7927969E+1 7.3375436E+4 #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 -10.589 delta_h 111.289 #kJ/mol #Internal calculation -analytic 2.5630181E+2 4.7243422E-2 -1.8938185E+4 -9.1587637E+1 8.1513615E+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 8.0778909E+2 1.3844179E-1 -4.1721382E+4 -2.9797614E+2 1.7892139E+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 -0.345 #kJ/mol #Internal calculation -analytic 8.4659791E+2 1.3829112E-1 -4.6152597E+4 -3.0616676E+2 2.8034192E+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 0.420 #kJ/mol #Internal calculation -analytic 1.7120283E+3 2.7760279E-1 -9.3607268E+4 -6.1919505E+2 5.6734062E+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 2.5654528E+3 4.1576045E-1 -1.4010996E+5 -9.2872848E+2 8.457982E+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 0.824 #kJ/mol #Internal calculation -analytic 2.6280395E+3 4.2423282E-1 -1.4521917E+5 -9.4932183E+2 8.9344986E+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 6.4522251E+2 9.4796064E-2 -3.1633531E+4 -2.3465209E+2 1.8141864E+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 8.4061558E+2 1.2760548E-1 -4.602608E+4 -3.0453974E+2 2.825133E+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 77.382 #kJ/mol #Internal calculation -analytic -3.3132499E+2 -1.8245217E-2 2.6363639E+4 1.1136446E+2 -2.6315445E+6 #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 7.51768E+2 1.1972157E-1 -3.8060438E+4 -2.7529241E+2 1.857061E+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 -22.869 delta_h 180.864 #kJ/mol #Internal calculation -analytic -2.201906E+2 -3.328066E-2 4.1155923E+3 8.2151617E+1 -8.7459815E+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 -4.950 delta_h 49.758 #kJ/mol #Internal calculation -analytic 1.3920886E+2 2.6837086E-2 -1.0311531E+4 -4.9976575E+1 5.4125401E+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 2.319305E+3 3.6143096E-1 -1.3493543E+5 -8.3585849E+2 8.6188682E+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 1.4914569E+1 1.5860162E-2 4.9992557E+3 -8.7542089E+0 -4.8834429E+5 #References = LogK/DGf: 08per/pok; DHf/DHr: Internal calculation; S°: 08per/pok; Cp: 08per/pok; V°: 08per/pok; 1.000H2AsO4- + 1.000H+ = AsO(OH)3 -llnl_gamma 3.4 log_k 2.302 delta_h 11.049 #kJ/mol #08per/pok -analytic 1.6315756E+2 4.0730166E-2 -7.354295E+3 -6.1578557E+1 3.5904024E+5 #References = LogK/DGf: 08per/pok; DHf/DHr: 08per/pok; S°: Internal calculation; Cp: 08per/pok; V°: 08per/pok; 1.000H2AsO4- = AsO4-3 + 2.000H+ -llnl_gamma 6.7 log_k -18.460 delta_h 21.914 #kJ/mol #Internal calculation -analytic -1.5040938E+3 -2.4299666E-1 8.2186503E+4 5.4182244E+2 -5.1803474E+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 9.7482705E+2 1.4920336E-1 -4.5421808E+4 -3.5238847E+2 3.2474545E+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 -5.719 delta_h -13.559 #kJ/mol #01aki/zot -analytic -3.9162935E+2 -6.8812553E-2 2.3233854E+4 1.3988933E+2 -1.5686842E+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 6.4840803E+2 1.0323678E-1 -3.2991689E+4 -2.3553665E+2 1.9751493E+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 4.850177E+2 9.8333461E-2 -2.0375966E+4 -1.8189895E+2 1.2163974E+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 8.3327508E+2 1.3522766E-1 -4.3093387E+4 -3.0328357E+2 2.7313161E+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 2.3945195E+3 3.9162328E-1 -1.4143708E+5 -8.7562963E+2 7.8115699E+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 8.1512795E+2 1.1760872E-1 -3.8667927E+4 -2.9300531E+2 2.7146552E+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 11.023 delta_h -77.054 #kJ/mol #01aki/zot -analytic 3.6025163E+1 9.9488644E-4 2.6883304E+3 -1.3635646E+1 -5.108398E+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 -9.241 delta_h 14.069 #kJ/mol #95pok/sch -analytic -5.1942755E+2 -7.8475735E-2 2.9291607E+4 1.8479529E+2 -1.948959E+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 9.2777449E+2 1.4836503E-1 -5.2385571E+4 -3.3565095E+2 3.1355311E+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 8.0870585E+2 1.3328755E-1 -4.4762936E+4 -2.9445868E+2 2.6511313E+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 6.6880501E+2 1.1124394E-1 -3.5057488E+4 -2.4693207E+2 1.685557E+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 8.2520786E+2 1.3421019E-1 -4.5845176E+4 -3.0007594E+2 2.7483851E+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 5.5629609E+2 9.1454897E-2 -2.804701E+4 -2.0384441E+2 1.4551449E+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 -13.493 delta_h 87.599 #kJ/mol #97asho/sas -analytic 1.0781515E+2 1.7652517E-2 -8.3667656E+3 -3.9933627E+1 2.7062118E+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 1.4310169E+3 2.2804961E-1 -8.534077E+4 -5.1275703E+2 4.5489828E+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 1.6810887E+3 2.6952517E-1 -1.0259965E+5 -6.0096776E+2 5.6932583E+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 1.2125467E+3 1.9395718E-1 -7.1425686E+4 -4.3427761E+2 3.9345435E+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 1.8333684E+3 2.924234E-1 -1.0683969E+5 -6.5781928E+2 6.2323653E+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 2.6366207E+3 4.1788361E-1 -1.5336719E+5 -9.4609783E+2 9.0371208E+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 3.2813391E+3 5.1722122E-1 -1.9459206E+5 -1.1727283E+3 1.1291049E+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 -13.654 delta_h 65.815 #kJ/mol #97asho/sas -analytic 2.9000509E+2 4.7787226E-2 -1.8436811E+4 -1.0712824E+2 8.0113952E+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 -37.387 delta_h 160.594 #kJ/mol #97asho/sas -analytic -1.0015937E+3 -1.6503403E-1 4.4781085E+4 3.6295197E+2 -3.1011135E+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 -5.371 delta_h 27.518 #kJ/mol #97asho/sas -analytic 1.9780606E+2 2.9707874E-2 -1.3106122E+4 -7.1362992E+1 7.5618923E+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 18.142 delta_h -19.282 #kJ/mol #88sho/hel -analytic 2.4399612E+3 3.8653494E-1 -1.3327937E+5 -8.8156088E+2 8.1178407E+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 -3.297 delta_h 77.925 #kJ/mol #97asho/sas -analytic 1.445759E+2 2.3387314E-2 -4.953225E+3 -5.3188032E+1 -5.8864951E+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 -21.092 delta_h 191.082 #kJ/mol #97asho/sas -analytic -2.4857743E+2 -4.4493069E-2 1.2352389E+4 9.044737E+1 -2.1765857E+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 -1.098 delta_h 17.221 #kJ/mol #97asho/sas -analytic 9.2143326E+1 1.3281577E-2 -3.8937906E+3 -3.3858426E+1 -3.205222E+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 8.6860873E+2 1.45834E-1 -4.8281447E+4 -3.1673255E+2 3.0832388E+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 2.5836744E+2 3.8536457E-2 -1.5534129E+4 -9.4531204E+1 1.1707145E+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 7.8430407E+2 1.2981085E-1 -4.3492573E+4 -2.8572525E+2 2.630012E+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 1.5621171E+3 2.5579554E-1 -8.5801168E+4 -5.6981877E+2 5.2211876E+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 6.9543261E+2 1.1632984E-1 -3.6152513E+4 -2.568442E+2 1.7402671E+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 8.511268E+2 1.3865709E-1 -4.774151E+4 -3.0905513E+2 2.9436051E+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 8.1838841E+2 1.309467E-1 -4.5283812E+4 -2.9716999E+2 2.771532E+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 9.219915E+2 1.4456366E-1 -4.9725452E+4 -3.3475874E+2 2.8024104E+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 8.5055958E+2 1.3673788E-1 -4.5214171E+4 -3.1174335E+2 2.4561239E+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 9.1783632E+2 1.4456366E-1 -5.0236726E+4 -3.3475874E+2 2.8024104E+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 -12.780 delta_h 77.206 #kJ/mol #Internal calculation -analytic 1.0904956E+2 1.8070217E-2 -8.9956024E+3 -4.0146268E+1 2.0390791E+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 1.027777E+3 1.6138795E-1 -5.7688683E+4 -3.7631837E+2 3.1698751E+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 4.292 #kJ/mol #Internal calculation -analytic 1.7203418E+3 2.6573499E-1 -9.4255356E+4 -6.2356388E+2 5.4972996E+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 -9.389 delta_h 49.083 #kJ/mol #06bla/pia -analytic 6.2345763E+2 9.4643708E-2 -3.5465811E+4 -2.27146E+2 1.7730814E+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 -32.071 delta_h 172.135 #kJ/mol #99yun/glu -analytic 1.2576276E+3 1.8305398E-1 -7.4901342E+4 -4.5729405E+2 3.4213692E+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 8.0941374E+2 1.3169372E-1 -4.4807639E+4 -2.9412307E+2 2.7882048E+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 1.6082242E+3 2.6110472E-1 -8.8757332E+4 -5.8505711E+2 5.5022038E+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 1.6306008E+3 2.6642831E-1 -9.1424911E+4 -5.9316313E+2 5.9334367E+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 1.6152997E+3 2.6481815E-1 -9.1924992E+4 -5.877622E+2 6.2147176E+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 9.2947675E+2 1.4440906E-1 -5.1233932E+4 -3.3885829E+2 2.8590686E+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 8.6861121E+2 1.3907226E-1 -4.8793251E+4 -3.1489979E+2 3.0119464E+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 1.7659009E+3 2.8400307E-1 -9.8001744E+4 -6.4190901E+2 6.0413169E+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 -20.900 delta_h 114.907 #kJ/mol #Internal calculation -analytic 2.3135612E+2 3.6942545E-2 -1.6677979E+4 -8.5723264E+1 4.2532116E+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 -47.479 delta_h 225.687 #kJ/mol #Internal calculation -analytic -1.0618124E+3 -1.7572641E-1 4.7146387E+4 3.8400479E+2 -3.6978536E+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 -10.080 delta_h 54.808 #kJ/mol #Internal calculation -analytic 1.628427E+2 2.3823902E-2 -1.1685009E+4 -5.9139489E+1 4.8918436E+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 1.6514935E+3 2.5979507E-1 -9.0543449E+4 -5.992176E+2 5.3262174E+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 1.7076121E+3 2.6709472E-1 -9.4180843E+4 -6.1854455E+2 5.5670231E+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 8.2693636E+2 1.3442496E-1 -4.6674351E+4 -3.0023838E+2 2.9184929E+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 8.3468922E+2 1.3664559E-1 -4.7387513E+4 -3.0268064E+2 2.9150813E+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 1.5937584E+3 2.5971342E-1 -8.8187389E+4 -5.7961729E+2 5.2332427E+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 2.2998676E+3 3.7318479E-1 -1.2390763E+5 -8.3884602E+2 7.0909611E+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 1.7735343E+3 2.9974977E-1 -9.0032573E+4 -6.5292579E+2 4.7996758E+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 7.9640266E+2 1.2548206E-1 -4.4858634E+4 -2.8969731E+2 3.1458296E+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 8.900406E+2 1.3994824E-1 -4.6675453E+4 -3.2598063E+2 2.5325842E+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 9.2556754E+2 1.495782E-1 -5.2486689E+4 -3.3368596E+2 3.1844299E+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 1.7515384E+3 2.8132984E-1 -9.6528041E+4 -6.3411697E+2 5.7577969E+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 2.5476562E+3 4.0837596E-1 -1.3652068E+5 -9.2590071E+2 7.9287519E+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 2.5036212E+3 3.9604127E-1 -1.3084986E+5 -9.1159773E+2 7.5035754E+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 8.6782366E+2 1.3880304E-1 -4.9895403E+4 -3.1412249E+2 3.2600989E+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 8.8257868E+2 1.4152151E-1 -5.1013523E+4 -3.1862458E+2 3.2604524E+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 8.2463979E+2 1.3171152E-1 -4.6619856E+4 -2.9919678E+2 3.0843409E+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 7.961294E+2 1.2675899E-1 -4.5076893E+4 -2.8938314E+2 3.0206291E+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 -16.403 delta_h 150.615 #kJ/mol #95haa/sho -analytic 2.2624881E+2 3.6751286E-2 -1.6043729E+4 -8.1353512E+1 1.3386529E+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 -38.743 delta_h 288.714 #kJ/mol #95haa/sho -analytic -1.9736395E+2 -3.5045743E-2 1.3767915E+3 7.3297946E+1 -1.5039715E+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 -26.135 delta_h 229.099 #kJ/mol #95haa/sho -analytic 2.0342286E+2 2.9017729E-2 -1.5131397E+4 -7.3209053E+1 -5.6071551E+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 -8.413 delta_h 84.925 #kJ/mol #95haa/sho -analytic 1.6731019E+2 2.5871778E-2 -1.2481279E+4 -5.9044799E+1 4.0251243E+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 1.647675E+3 2.6134652E-1 -8.9772115E+4 -5.9763452E+2 5.1586651E+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 -26.879 delta_h 243.525 #kJ/mol #01sch/sho -analytic 3.822632E+3 6.0844151E-1 -2.2748636E+5 -1.3816038E+3 1.3401898E+7 #References = LogK/DGf: 01sch/sho; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho; 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 6.353 delta_h -9.160 #kJ/mol #89cox/wag -analytic 7.0323452E+2 1.1751607E-1 -3.9289514E+4 -2.5424663E+2 2.5757273E+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 -9.830 delta_h 30.030 #kJ/mol #98ply/zha -analytic 6.5887348E+2 1.0286735E-1 -3.6579148E+4 -2.41762E+2 1.914615E+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 -7.7058363E+2 -1.2433524E-1 4.2038783E+4 2.7739481E+2 -2.6727365E+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 -29.879 delta_h 149.720 #kJ/mol #98ply/zha -analytic 1.334282E+3 1.9950128E-1 -7.7947699E+4 -4.8652605E+2 3.7044363E+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 2.394843E+2 3.2348517E-2 -1.356988E+4 -8.7461179E+1 8.8585346E+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 8.0574795E+2 1.3135618E-1 -4.4524256E+4 -2.9329178E+2 2.7312211E+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 1.7082442E+3 2.5831875E-1 -9.2266579E+4 -6.1993113E+2 5.1736747E+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 2.3905414E+3 3.6098211E-1 -1.2943697E+5 -8.6786921E+2 7.2662591E+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 3.1844022E+3 4.6364547E-1 -1.7210282E+5 -1.1528992E+3 9.3588435E+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 8.5095726E+2 1.3786643E-1 -4.6822558E+4 -3.0934134E+2 2.8380526E+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 8.1774725E+2 1.2785769E-1 -4.5499486E+4 -2.9684896E+2 2.7858819E+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 8.9532258E+2 1.4279332E-1 -4.7685642E+4 -3.2795077E+2 2.6044691E+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 -18.600 delta_h 105.706 #kJ/mol #Internal calculation -analytic 2.9103455E+2 4.7420593E-2 -2.0159159E+4 -1.0691499E+2 7.4631811E+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 -46.419 delta_h 214.484 #kJ/mol #Internal calculation -analytic -1.0085439E+3 -1.6628697E-1 4.3266386E+4 3.6508701E+2 -3.2710279E+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 -9.230 delta_h 45.961 #kJ/mol #Internal calculation -analytic 1.9896607E+2 3.0381269E-2 -1.3890784E+4 -7.2250041E+1 7.2128149E+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 1.7249114E+3 2.7120654E-1 -9.4889872E+4 -6.2585255E+2 5.6377899E+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 -4.387 delta_h 49.800 #kJ/mol #98zie/jon -analytic 1.2583773E+3 1.8792529E-1 -6.9148474E+4 -4.5565683E+2 3.6111764E+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 -13.271 delta_h 59.600 #kJ/mol #98zie/jon -analytic 1.3662182E+3 2.0474959E-1 -7.6017113E+4 -4.9721646E+2 3.9786411E+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 -24.578 delta_h 116.120 #kJ/mol #98zie/jon -analytic 1.4798205E+3 2.2157389E-1 -8.5326103E+4 -5.387761E+2 4.3461058E+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 -22.907 delta_h 53.950 #kJ/mol #98zie/jon -analytic 2.2228579E+3 3.3232464E-1 -1.2270758E+5 -8.1133415E+2 6.6055685E+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 -5.730 delta_h 32.720 #kJ/mol #76del/hep -analytic 1.7772105E+3 2.8561797E-1 -9.7804819E+4 -6.4784365E+2 5.5992793E+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 14.750 delta_h -3.753 #kJ/mol #Internal calculation -analytic 1.5883803E+3 2.5464846E-1 -8.7910255E+4 -5.72291E+2 5.4576283E+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 1.1396789E+3 1.8584154E-1 -6.2633494E+4 -4.147712E+2 3.613871E+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 9.6875417E+2 1.5500658E-1 -5.1412674E+4 -3.5220562E+2 3.0738836E+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 1.1354945E+3 1.8607133E-1 -6.2020191E+4 -4.1321968E+2 3.5690917E+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 1.7746396E+3 2.8873469E-1 -9.7135393E+4 -6.4634263E+2 5.6616761E+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 -9.840 delta_h 98.557 #kJ/mol #Internal calculation -analytic 2.4494763E+2 3.9996447E-2 -1.5606442E+4 -8.8371338E+1 3.82342E+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 -27.649 delta_h 203.811 #kJ/mol #Internal calculation -analytic -1.8395816E+2 -3.1185955E-2 1.3636037E+3 6.9029629E+1 -8.690201E+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 8.079 delta_h 5.450 #kJ/mol #76del/hep -analytic 2.1003121E+3 3.341181E-1 -1.159292E+5 -7.6039863E+2 6.9812054E+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 -5.300 delta_h 30.312 #kJ/mol #Internal calculation -analytic 3.0621401E+2 4.9226503E-2 -1.7852153E+4 -1.1180383E+2 9.1890237E+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 -3.570 delta_h 38.068 #kJ/mol #Internal calculation -analytic 2.1069818E+2 3.2843472E-2 -1.3954747E+4 -7.5133861E+1 7.6965246E+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 6.4329525E+2 9.9917411E-2 -3.507016E+4 -2.335035E+2 1.9868963E+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 5.3671436E+2 8.4469039E-2 -2.9379963E+4 -1.9485098E+2 1.658936E+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 5.4186632E+2 8.5368332E-2 -2.9035527E+4 -1.9709445E+2 1.6664255E+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 -15.677 delta_h 73.808 #kJ/mol #97asho/sas -analytic 9.6099966E+0 -3.4983387E-3 -3.1138419E+3 -4.4683971E+0 -2.4387331E+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 1.0004635E+3 1.5698231E-1 -4.9907153E+4 -3.6323305E+2 3.1822214E+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 6.5057582E+2 7.6875372E-2 -3.4924197E+4 -2.3104929E+2 2.4629287E+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 -16.180 delta_h -1.706 #kJ/mol #Internal calculation -analytic -5.2739912E+2 -8.9213906E-2 2.9970322E+4 1.8602249E+2 -2.0448568E+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 -6.400 delta_h 24.661 #kJ/mol #Internal calculation -analytic 6.2008255E+2 1.0193118E-1 -3.4301375E+4 -2.2751373E+2 1.8794074E+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 -10.429 delta_h 73.916 #kJ/mol #Internal calculation -analytic 6.1241256E+2 9.8814466E-2 -3.6135166E+4 -2.2289771E+2 1.8170106E+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 -227.531 #kJ/mol #Internal calculation -analytic 2.310401E+3 3.4433543E-1 -1.1328672E+5 -8.414917E+2 6.9707811E+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 -21.099 delta_h 109.826 #kJ/mol #Internal calculation -analytic 8.7687302E+2 1.4510498E-1 -5.2347836E+4 -3.2153519E+2 2.6631191E+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 2.626085E+2 3.5517046E-2 -1.417144E+4 -9.5620344E+1 1.435021E+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 8.3390902E+2 1.3508055E-1 -4.6805032E+4 -3.0258003E+2 2.8753569E+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 6.9682073E+2 1.1145574E-1 -3.6152888E+4 -2.5390327E+2 2.0511204E+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 1.6510622E+3 2.675649E-1 -9.2495586E+4 -5.9955883E+2 5.6504478E+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 9.3079811E+2 1.4943939E-1 -4.9495975E+4 -3.3804672E+2 2.8396618E+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 1.6530328E+3 2.6875545E-1 -9.5508234E+4 -5.9905145E+2 6.0632175E+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 8.193345E+2 1.3272273E-1 -4.271742E+4 -2.9893153E+2 2.5466434E+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 1.6468256E+3 2.6794928E-1 -9.7853149E+4 -5.9597272E+2 6.418291E+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 9.9493966E+2 1.4805279E-1 -5.3947417E+4 -3.6148134E+2 2.9122316E+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 9.0349519E+2 1.4391597E-1 -5.1152437E+4 -3.2670884E+2 3.125681E+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 6.4048484E+2 9.7287169E-2 -3.1510933E+4 -2.3336394E+2 1.8396872E+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 8.3708708E+2 1.3054439E-1 -4.626741E+4 -3.035613E+2 2.8512836E+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 7.5823613E+2 1.1422404E-1 -4.0572783E+4 -2.7506678E+2 2.2485201E+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 8.9465654E+2 1.4956712E-1 -4.8399116E+4 -3.2681664E+2 2.925297E+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 9.0174788E+2 1.4276357E-1 -4.7805321E+4 -3.3001158E+2 2.611553E+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 8.9894429E+2 1.4805279E-1 -4.9182229E+4 -3.2696321E+2 2.9122316E+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 18.002 #kJ/mol #Internal calculation -analytic 9.8806849E+2 1.4956712E-1 -5.381304E+4 -3.5929014E+2 2.925297E+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 -49.569 #kJ/mol #Internal calculation -analytic 7.2536108E+2 1.135208E-1 -3.5911506E+4 -2.6274007E+2 2.1684359E+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 9.1084505E+2 1.4749544E-1 -4.978972E+4 -3.3134568E+2 3.0248667E+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 8.7788093E+2 1.4270004E-1 -4.7837024E+4 -3.2011378E+2 2.8996936E+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 -16.200 delta_h 85.086 #kJ/mol #Internal calculation -analytic -1.0822011E+2 -1.6681077E-2 2.3160756E+3 3.8279517E+1 -4.8841945E+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 -39.739 delta_h 178.318 #kJ/mol #Internal calculation -analytic -1.0320473E+3 -1.7100293E-1 4.7751868E+4 3.7311655E+2 -3.5664622E+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 -7.950 delta_h 50.497 #kJ/mol #Internal calculation -analytic 1.890945E+2 2.762379E-2 -1.290599E+4 -6.8113573E+1 5.8218861E+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 -11.554 delta_h 100.371 #kJ/mol #Internal calculation -analytic -4.3706894E+2 -4.1362485E-2 2.5878517E+4 1.521298E+2 -2.2565364E+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 1.7631569E+3 2.7073846E-1 -9.6741831E+4 -6.3864188E+2 5.6201861E+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 8.3240863E+2 1.3607136E-1 -4.7252816E+4 -3.0188406E+2 2.9111383E+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 1.6092146E+3 2.6228645E-1 -8.9640045E+4 -5.8502399E+2 5.4069524E+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 2.3531665E+3 3.8293705E-1 -1.28118E+5 -8.5790828E+2 7.5363305E+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 2.2301636E+3 3.6217067E-1 -1.1943079E+5 -8.1506895E+2 6.9711743E+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 7.315151E+2 1.1890048E-1 -3.6613193E+4 -2.6980725E+2 1.8792604E+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 9.253823E+2 1.4948314E-1 -5.2430694E+4 -3.3346924E+2 3.1781466E+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 1.773682E+3 2.8506199E-1 -9.8272824E+4 -6.4162663E+2 5.9406888E+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 2.6024618E+3 4.1812809E-1 -1.4078719E+5 -9.4496254E+2 8.3741153E+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 2.6223389E+3 4.1563419E-1 -1.3980552E+5 -9.5322278E+2 8.3874076E+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 8.6571672E+2 1.3816819E-1 -4.9784834E+4 -3.1346699E+2 3.2610041E+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 8.7431968E+2 1.4002734E-1 -5.0541692E+4 -3.1574421E+2 3.2404302E+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 7.961357E+2 1.263429E-1 -4.5043095E+4 -2.8965159E+2 3.0344556E+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 -16.110 delta_h 145.698 #kJ/mol #95haa/sho -analytic 1.990996E+2 3.2285768E-2 -1.4110305E+4 -7.1780024E+1 9.423573E+3 #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 -33.465 delta_h 253.849 #kJ/mol #95haa/sho -analytic -2.0472586E+2 -3.6571131E-2 3.1717495E+3 7.5993831E+1 -1.4681273E+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 -24.816 delta_h 217.576 #kJ/mol #95haa/sho -analytic 2.1912774E+2 3.193467E-2 -1.5630066E+4 -7.9103389E+1 -4.7159677E+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 -7.827 delta_h 79.083 #kJ/mol #95haa/sho -analytic 1.4657461E+2 2.2386785E-2 -1.0793605E+4 -5.1784898E+1 2.9018627E+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 1.6458401E+3 2.6071144E-1 -8.9289118E+4 -5.9710996E+2 5.0792162E+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 8.267709E+2 1.350414E-1 -4.6756514E+4 -2.9993776E+2 2.8700268E+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 1.5960661E+3 2.5983599E-1 -8.8471132E+4 -5.8051943E+2 5.3013751E+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 2.3306282E+3 3.7922221E-1 -1.2590841E+5 -8.5040908E+2 7.3299763E+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 2.1932292E+3 3.5535589E-1 -1.1597009E+5 -8.0257699E+2 6.6554688E+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 7.3934807E+2 1.1995521E-1 -3.6987528E+4 -2.726604E+2 1.9072278E+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 9.2009403E+2 1.4857257E-1 -5.2017702E+4 -3.3155175E+2 3.1339814E+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 1.7618247E+3 2.8294166E-1 -9.722175E+4 -6.3745052E+2 5.8319926E+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 11.027 delta_h -12.424 #kJ/mol #95haa/sho -analytic 2.5806444E+3 4.1441324E-1 -1.387489E+5 -9.3746326E+2 8.1677607E+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 2.6019423E+3 4.1141777E-1 -1.3733559E+5 -9.4648997E+2 8.1144668E+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 8.6051563E+2 1.3715349E-1 -4.9285966E+4 -3.1171948E+2 3.2236335E+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 8.6600283E+2 1.3856784E-1 -4.9872894E+4 -3.1286712E+2 3.1926917E+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 7.927088E+2 1.2553525E-1 -4.4610599E+4 -2.8862663E+2 3.00609E+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 -15.963 delta_h 143.738 #kJ/mol #95haa/sho -analytic 2.0538278E+2 3.3284769E-2 -1.4754882E+4 -7.3889134E+1 9.3547614E+4 #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 -32.586 delta_h 246.957 #kJ/mol #95haa/sho -analytic -2.033288E+2 -3.6358022E-2 2.7450948E+3 7.5806351E+1 -1.3513288E+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 -24.303 delta_h 213.151 #kJ/mol #95haa/sho -analytic 2.4297393E+2 3.5998582E-2 -1.7298243E+4 -8.7553844E+1 -2.9732541E+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 -7.753 delta_h 77.916 #kJ/mol #95haa/sho -analytic 1.544774E+2 2.3623307E-2 -1.1540759E+4 -5.4472633E+1 3.7538483E+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 1.6363931E+3 2.5910345E-1 -8.8832836E+4 -5.93635E+2 5.0547017E+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 8.7689506E+2 1.4309279E-1 -5.0463342E+4 -3.1772131E+2 3.2178048E+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 8.2381886E+2 1.3443405E-1 -4.6518752E+4 -2.988471E+2 2.8377488E+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 1.586592E+3 2.5819501E-1 -8.7693006E+4 -5.7710489E+2 5.2039826E+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 1.6456404E+3 2.6723431E-1 -9.4212135E+4 -5.964462E+2 6.0241784E+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 2.3076362E+3 3.7460743E-1 -1.2432308E+5 -8.418823E+2 7.1478968E+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 1.8618152E+3 3.0434568E-1 -1.0854038E+5 -6.7402308E+2 7.227567E+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 2.162032E+3 3.5015272E-1 -1.1348488E+5 -7.9130521E+2 6.3462771E+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 1.9170037E+3 3.1639376E-1 -1.1392737E+5 -6.9342549E+2 7.9504144E+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 7.2456447E+2 1.1771851E-1 -3.6310253E+4 -2.6721069E+2 1.8604703E+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 9.0224796E+2 1.4533379E-1 -5.2675251E+4 -3.2649336E+2 3.3422815E+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 9.1672326E+2 1.4780566E-1 -5.1731083E+4 -3.3048155E+2 3.1070255E+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 1.7496083E+3 2.8072232E-1 -9.629651E+4 -6.3330421E+2 5.7367563E+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 1.8014988E+3 2.9000999E-1 -1.037089E+5 -6.5304941E+2 6.5579213E+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 10.294 delta_h -9.114 #kJ/mol #95haa/sho -analytic 2.5564081E+3 4.0979859E-1 -1.3701081E+5 -9.2893697E+2 7.9856874E+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 1.8653716E+3 3.0178505E-1 -1.1030874E+5 -6.752568E+2 7.3823052E+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 2.5367132E+3 4.0101848E-1 -1.3298987E+5 -9.2332008E+2 7.7116648E+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 2.0277941E+3 3.2467814E-1 -1.223425E+5 -7.3336069E+2 8.6805859E+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 8.5703935E+2 1.365667E-1 -4.9058683E+4 -3.1037824E+2 3.1854205E+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 8.6819194E+2 1.3879695E-1 -4.9995921E+4 -3.135832E+2 3.173181E+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 7.8647336E+2 1.2464865E-1 -4.410107E+4 -2.8615291E+2 2.9530008E+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 -16.329 delta_h 148.075 #kJ/mol #95haa/sho -analytic 2.0540483E+2 3.3157682E-2 -1.4653418E+4 -7.393347E+1 4.1876472E+4 #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 -34.491 delta_h 261.329 #kJ/mol #95haa/sho -analytic -2.0723013E+2 -3.70037E-2 3.064962E+3 7.6925014E+1 -1.4982582E+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 -25.402 delta_h 222.296 #kJ/mol #95haa/sho -analytic 3.2667111E+2 4.9590314E-2 -2.1368229E+4 -1.1847893E+2 -1.796434E+5 #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 -7.900 delta_h 80.374 #kJ/mol #95haa/sho -analytic 1.5033655E+2 2.2846479E-2 -1.1163238E+4 -5.3013995E+1 3.1763476E+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 1.6444111E+3 2.6038061E-1 -8.9254622E+4 -5.965293E+2 5.0770112E+6 #References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho; 2.000HCO3- + 1.000Fe+2 = Fe(CO3)2-2 + 2.000H+ -llnl_gamma 4.7 log_k -13.690 delta_h -10.381 #kJ/mol #Internal calculation -analytic 1.6792284E+3 2.4369047E-1 -8.9983963E+4 -6.1370659E+2 4.8722416E+6 #References = LogK/DGf: 17bbla; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value; 3.000HCO3- + 1.000Fe+3 = Fe(CO3)3-3 + 3.000H+ -llnl_gamma 6.7 log_k -6.990 delta_h 99.714 #kJ/mol #Internal calculation -analytic 2.5008215E+3 3.6873638E-1 -1.3830388E+5 -9.035391E+2 7.2778669E+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 1.6097838E+3 2.5928191E-1 -8.6158019E+4 -5.8625995E+2 5.2446031E+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 -21.599 delta_h 144.981 #kJ/mol #Internal calculation -analytic -4.4734751E+2 -4.7980357E-2 2.2242675E+4 1.5702037E+2 -2.0520918E+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 -2.919 delta_h 56.480 #kJ/mol #76bae/mes -analytic 9.4112378E+2 1.4793483E-1 -5.080159E+4 -3.4182891E+2 2.4954882E+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 7.6692268E+2 1.286338E-1 -3.6919314E+4 -2.8354545E+2 1.3992939E+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 2.4918312E+2 3.4100103E-2 -1.3982901E+4 -9.0834786E+1 1.1856227E+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 8.1211677E+2 1.3182173E-1 -4.6121049E+4 -2.9424044E+2 2.7725958E+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 8.1446136E+2 1.3244719E-1 -4.5719767E+4 -2.9481007E+2 2.7025962E+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 1.8008994E+3 2.8747657E-1 -9.8237163E+4 -6.5463736E+2 5.6390473E+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 1.6056093E+3 2.6112556E-1 -8.8964995E+4 -5.8478902E+2 5.352141E+6 #References = LogK/DGf: 17bbla; DHf/DHr: 17bbla; S°: Internal calculation; Cp: 97sve/sho; V°: 97sve/sho; 1.000HCO3- + 1.000Fe+2 = FeCO3 + 1.000H+ -llnl_gamma 3.4 log_k -5.140 delta_h 14.400 #kJ/mol #17bbla -analytic 9.6797705E+2 1.4816163E-1 -5.2932711E+4 -3.5269684E+2 2.9309121E+6 #References = LogK/DGf: 17bbla; DHf/DHr: 17bbla; S°: Internal calculation; V°: Default value; 1.000HCO3- + 1.000Fe+3 + 1.000H2O = FeCO3OH + 2.000H+ -llnl_gamma 3.4 log_k -9.970 delta_h 117.425 #kJ/mol #Internal calculation -analytic 1.2362718E+3 1.7456198E-1 -7.0518618E+4 -4.4424638E+2 3.3328111E+6 #References = LogK/DGf: 17bbla; DHf/DHr: Internal calculation; S°: 17bbla; 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 1.8410071E+3 2.9366358E-1 -1.0087752E+5 -6.6638727E+2 5.9126379E+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 8.7588021E+2 1.4031975E-1 -4.8713414E+4 -3.1783355E+2 2.983037E+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 20.833 #kJ/mol #Internal calculation -analytic 9.0322119E+2 1.4595368E-1 -5.0109776E+4 -3.2568688E+2 2.9532789E+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 6.8616294E+2 1.0108806E-1 -3.5091161E+4 -2.4860989E+2 2.1377436E+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 8.1737644E+2 1.2787919E-1 -4.4686367E+4 -2.9663802E+2 2.7870083E+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 8.8043405E+2 1.3378978E-1 -4.8973376E+4 -3.1805421E+2 3.1443056E+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 8.922345E+2 1.4212095E-1 -4.7342096E+4 -3.2674036E+2 2.5993348E+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 7.6208755E+2 1.2019393E-1 -3.7827178E+4 -2.7879052E+2 1.9504073E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 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 1.1187466E+3 1.7919302E-1 -5.8323604E+4 -4.0866759E+2 3.4082733E+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 1.6672948E+3 2.7084729E-1 -9.2726074E+4 -6.0568868E+2 5.6388667E+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 1.9214938E+3 3.0036436E-1 -1.0795639E+5 -6.9314293E+2 6.1031625E+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 -20.600 delta_h 119.662 #kJ/mol #76bae/mes -analytic 2.757701E+2 4.4685331E-2 -1.9853544E+4 -1.0126803E+2 6.6470377E+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 -5.482 delta_h 79.606 #kJ/mol #97asho/sas -analytic 2.2228976E+2 3.6463475E-2 -1.2122623E+4 -8.0531597E+1 1.1438653E+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 -9.500 delta_h 55.228 #kJ/mol #76bae/mes -analytic 1.7937208E+2 2.6856943E-2 -1.2823594E+4 -6.4847214E+1 5.8594887E+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 -2.190 delta_h 35.903 #kJ/mol #Internal calculation -analytic 1.6031592E+2 2.5129678E-2 -9.500017E+3 -5.7463507E+1 3.6045404E+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 1.9864742E+3 3.0036436E-1 -1.0858073E+5 -7.1784203E+2 6.1031625E+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 1.7511722E+3 2.7084729E-1 -9.6362144E+4 -6.343748E+2 5.6388667E+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 -7.268 delta_h 74.711 #kJ/mol #Internal calculation -analytic -9.7674606E+2 -1.7926158E-1 4.552318E+4 3.6401659E+2 -2.7108582E+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 -11.920 delta_h 104.965 #kJ/mol #Internal calculation -analytic -9.8690073E+2 -1.8511743E-1 4.4260148E+4 3.6880384E+2 -2.7430059E+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 -15.628 delta_h 106.332 #kJ/mol #99dia/sch -analytic -1.8266759E+3 -3.0879955E-1 9.1339288E+4 6.7065764E+2 -5.5767401E+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 -2.835 delta_h 93.041 #kJ/mol #Internal calculation -analytic 1.8100825E+2 1.3489432E-2 -1.6127449E+4 -5.7474004E+1 7.5047489E+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 17.566 #kJ/mol #95haa/sho -analytic 8.2950543E+2 1.3564605E-1 -4.697037E+4 -3.008982E+2 2.8526503E+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 23.706 #kJ/mol #95haa/sho -analytic 1.5973242E+3 2.6028079E-1 -8.85279E+4 -5.8089252E+2 5.2434454E+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 18.662 #kJ/mol #95haa/sho -analytic 2.3149591E+3 3.7577743E-1 -1.252585E+5 -8.4411579E+2 7.202813E+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 1.144 #kJ/mol #95haa/sho -analytic 2.1881619E+3 3.548776E-1 -1.1556892E+5 -8.0028772E+2 6.4621406E+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 -2.086 #kJ/mol #95haa/sho -analytic 7.1908844E+2 1.1724372E-1 -3.6132332E+4 -2.6524021E+2 1.8335566E+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 23.825 #kJ/mol #95haa/sho -analytic 9.2101056E+2 1.4871324E-1 -5.1990387E+4 -3.3213595E+2 3.1228141E+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 13.872 #kJ/mol #95haa/sho -analytic 1.7545637E+3 2.8176509E-1 -9.6640709E+4 -6.351671E+2 5.7672646E+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 -8.818 #kJ/mol #95haa/sho -analytic 2.5627899E+3 4.1096846E-1 -1.3757853E+5 -9.3116996E+2 8.0405975E+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 -49.536 #kJ/mol #95haa/sho -analytic 2.533651E+3 4.0125059E-1 -1.3317191E+5 -9.22027E+2 7.746864E+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 -1.961 #kJ/mol #95haa/sho -analytic 8.6271852E+2 1.3781235E-1 -4.9548692E+4 -3.1236771E+2 3.1979764E+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 12.861 #kJ/mol #95haa/sho -analytic 8.7799849E+2 1.4065642E-1 -5.068545E+4 -3.1707409E+2 3.1988302E+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 -22.742 #kJ/mol #95haa/sho -analytic 7.9153491E+2 1.2589502E-1 -4.4742719E+4 -2.8783539E+2 2.959031E+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 -16.704 delta_h 152.790 #kJ/mol #95haa/sho -analytic 2.0571741E+2 3.3390773E-2 -1.4454678E+4 -7.4196819E+1 -2.6705238E+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 -34.793 delta_h 266.622 #kJ/mol #95haa/sho -analytic -2.3182252E+2 -4.0290979E-2 5.0145592E+3 8.5454736E+1 -1.7092838E+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 -25.630 delta_h 226.672 #kJ/mol #95haa/sho -analytic 1.8449651E+2 2.593141E-2 -1.3404324E+4 -6.6630496E+1 -7.1354051E+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 -8.274 delta_h 84.714 #kJ/mol #95haa/sho -analytic 1.4769897E+2 2.2670571E-2 -1.0811226E+4 -5.2221149E+1 2.4412255E+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 22.358 #kJ/mol #95haa/sho -analytic 1.6475836E+3 2.6116032E-1 -8.9472694E+4 -5.977727E+2 5.079554E+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 -2.3900693E+2 -5.2430713E-2 9.7373534E+3 8.8864806E+1 -6.41759E+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 100.884 delta_h -503.405 #kJ/mol #Internal calculation -analytic 5.1888519E+3 8.3909978E-1 -2.5779944E+5 -1.8854132E+3 1.7054239E+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 1.3545765E+3 2.1151373E-1 -7.6293881E+4 -4.8721707E+2 4.4587595E+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 -35.639 delta_h 210.897 #kJ/mol #97asho/sas -analytic 5.37306E+2 8.1090449E-2 -4.026654E+4 -1.9437679E+2 1.6805592E+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 -1.761 delta_h 24.397 #kJ/mol #Internal calculation -analytic 1.1707091E+2 1.9088425E-2 -9.8580261E+3 -4.0391015E+1 7.5435483E+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 7.4840577E+2 1.1981793E-1 -4.1347022E+4 -2.703232E+2 2.7054536E+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 22.917 #kJ/mol #Internal calculation -analytic 1.4978525E+3 2.381435E-1 -8.4048925E+4 -5.4206627E+2 5.0379569E+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 1.5238155E+3 2.4187869E-1 -8.5504151E+4 -5.5133604E+2 5.1465525E+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 58.081 delta_h -307.718 #kJ/mol #Internal calculation -analytic 2.6641369E+3 4.3670693E-1 -1.2861198E+5 -9.7061511E+2 8.6076208E+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 1.5653292E+3 2.4888806E-1 -8.681006E+4 -5.6508583E+2 5.3117488E+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 1.8444997E+2 9.7943151E-3 -1.169742E+4 -6.9072336E+1 -4.3719491E+4 #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 1.2947646E+3 2.1816377E-1 -7.3029819E+4 -4.6771779E+2 4.5780383E+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 -7.084 delta_h 47.506 #kJ/mol #97asho/sas -analytic -2.1038168E+2 -4.1213894E-2 6.4158857E+3 7.9915055E+1 -3.2698691E+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 104.464 delta_h -520.971 #kJ/mol #Internal calculation -analytic 5.1998117E+3 8.4127029E-1 -2.5689763E+5 -1.8896477E+3 1.700323E+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 1.6315873E+2 4.0730166E-2 -7.3546434E+3 -6.1578557E+1 3.5904024E+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 0.489 delta_h 26.523 #kJ/mol #Internal calculation -analytic 8.3061274E+2 1.3309825E-1 -4.8202369E+4 -2.996259E+2 2.9574473E+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 6.8841428E+2 1.0842507E-1 -3.7571028E+4 -2.4947228E+2 2.1818556E+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 7.1612589E+2 1.1249268E-1 -3.9032552E+4 -2.5960426E+2 2.2579962E+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 7.1025826E+2 1.120357E-1 -3.9337244E+4 -2.5690319E+2 2.3206747E+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 -3.265 delta_h 35.811 #kJ/mol #97asho/sas -analytic 3.0523392E+2 4.1966796E-2 -1.8681863E+4 -1.0878304E+2 9.6218428E+5 #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 1.489 delta_h 39.160 #kJ/mol #92gre/fug -analytic 1.6126525E+3 2.5529404E-1 -9.1325765E+4 -5.8281122E+2 5.436486E+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 -16.419 delta_h 144.671 #kJ/mol #Internal calculation -analytic 3.0111681E+2 5.3614646E-2 -2.3398929E+4 -1.0760033E+2 9.9640736E+5 #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 92.977 delta_h -475.787 #kJ/mol #Internal calculation -analytic 4.2493503E+3 6.9212628E-1 -2.0833961E+5 -1.5448174E+3 1.4097958E+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 4.299 #kJ/mol #Internal calculation -analytic -7.549673E+2 -1.2127731E-1 4.1238812E+4 2.7249295E+2 -2.5259568E+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 -23.240 delta_h 89.448 #kJ/mol #97asho/sas -analytic -1.7137505E+2 -3.4273976E-2 1.1241032E+3 6.2929524E+1 -1.005633E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Bi+3 + 2.000H2O = HBiO2 + 3.000H+ -llnl_gamma 3.4 log_k -8.191 delta_h 129.295 #kJ/mol #97asho/sas -analytic 9.1087347E+1 1.0428909E-2 -6.7213732E+2 -3.3966638E+1 -1.4298866E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000BrO- + 1.000H+ = HBrO -llnl_gamma 3.4 log_k 8.576 delta_h -18.890 #kJ/mol #97asho/sas -analytic 7.253877E+2 1.1480283E-1 -3.8836477E+4 -2.6179657E+2 2.4016072E+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 -33.299 delta_h 156.473 #kJ/mol #Internal calculation -analytic -3.516615E+2 -6.1079417E-2 1.0635961E+4 1.2688406E+2 -1.1615318E+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 4.7680511E+2 9.0813234E-2 -2.5457077E+4 -1.770237E+2 1.673506E+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 7.2521759E+2 1.1476363E-1 -3.9121335E+4 -2.617481E+2 2.4008143E+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 7.8823545E+2 1.2433371E-1 -4.4591826E+4 -2.8450347E+2 2.6864106E+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 6.7984466E+2 1.0836107E-1 -3.6475991E+4 -2.458413E+2 2.4661422E+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 -31.699 delta_h 139.444 #kJ/mol #Internal calculation -analytic -1.951837E+2 -3.7858926E-2 7.0808385E+2 7.1116015E+1 -3.1778511E+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 -16.189 delta_h 154.240 #kJ/mol #97asho/sas -analytic 3.6735811E+2 5.8200917E-2 -2.3439453E+4 -1.3253915E+2 5.0453384E+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 8.4378626E+2 1.3502887E-1 -4.740433E+4 -3.0371949E+2 2.9338263E+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 -26.599 delta_h 139.437 #kJ/mol #Internal calculation -analytic -1.9630819E+0 -4.8454332E-3 -4.8866403E+3 -7.6413323E-1 -4.3655109E+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 6.685259E+2 1.0837656E-1 -3.7235003E+4 -2.4153097E+2 2.2142404E+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 7.3983285E+2 1.1859498E-1 -4.0367651E+4 -2.6775612E+2 2.2558792E+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 -14.299 delta_h 150.624 #kJ/mol #Internal calculation -analytic 2.8403883E+2 4.3661342E-2 -1.6755709E+4 -1.0274206E+2 -8.2526659E+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 -31.929 delta_h 152.120 #kJ/mol #Internal calculation -analytic -2.1867164E+2 -4.1451824E-2 2.1450309E+3 7.9872634E+1 -5.0962263E+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 -2.402 delta_h 73.943 #kJ/mol #97asho/sas -analytic 2.3087962E+2 3.8441027E-2 -1.3351566E+4 -8.2329949E+1 3.3408399E+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 -10.669 delta_h 101.647 #kJ/mol #97asho/sas -analytic 6.3229225E+2 1.055366E-1 -3.8059279E+4 -2.2939535E+2 1.8532929E+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 -0.203 delta_h 28.209 #kJ/mol #97asho/sas -analytic 2.0533269E+2 3.2551789E-2 -1.3507144E+4 -7.2442957E+1 8.2823499E+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 1.5703288E+3 2.4882753E-1 -7.6284095E+4 -5.687611E+2 5.1969865E+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 -6.074 delta_h 50.266 #kJ/mol #Internal calculation -analytic 2.5504881E+2 3.4576584E-2 -1.5730388E+4 -9.1319729E+1 6.4825247E+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 -3.330 delta_h 12.803 #kJ/mol #76bae/mes -analytic 5.8590903E+2 8.7693177E-2 -3.1204346E+4 -2.1362369E+2 1.5888227E+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 8.3901966E+2 1.3660176E-1 -4.524016E+4 -3.0460641E+2 2.9270363E+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 1.628757E+3 2.6423967E-1 -8.7765028E+4 -5.9148558E+2 5.7245444E+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 1.7509172E+3 2.8619069E-1 -9.6316803E+4 -6.3530984E+2 6.5688689E+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 -109.351 #kJ/mol #Internal calculation -analytic 1.6653929E+3 2.7781643E-1 -9.2970913E+4 -6.0481699E+2 6.7205484E+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 8.7968696E+2 1.4114389E-1 -4.9515774E+4 -3.1881056E+2 3.0980316E+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 -3.400 delta_h 30.174 #kJ/mol #Internal calculation -analytic 2.5448996E+2 3.8721267E-2 -1.6514553E+4 -9.0978336E+1 9.8455322E+5 #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 4.060 delta_h 0.005 #kJ/mol #76bae/mes -analytic 9.4079578E+2 1.4495159E-1 -5.0409798E+4 -3.406853E+2 2.8557973E+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 1.0519057E+3 1.673117E-1 -4.8800229E+4 -3.8143431E+2 3.4978895E+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 -5.978 delta_h 67.509 #kJ/mol #97asho/sas -analytic 6.1003011E+2 9.6257534E-2 -3.8336254E+4 -2.1878112E+2 2.2430609E+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 -17.176 delta_h 131.409 #kJ/mol #97asho/sas -analytic 8.7243783E+1 9.1189023E-3 -1.190634E+4 -2.8625359E+1 3.2241806E+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 -21.099 delta_h 92.387 #kJ/mol #Internal calculation -analytic -3.9741873E+2 -6.8982004E-2 1.8309097E+4 1.428694E+2 -1.6039648E+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 -12.428 delta_h 141.752 #kJ/mol #97asho/sas -analytic 2.4945689E+2 3.7724642E-2 -1.374409E+4 -9.0375438E+1 -3.0281458E+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 6.4143044E+2 1.0206306E-1 -3.3047826E+4 -2.3170884E+2 2.0409398E+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 7.1654677E+2 1.1308546E-1 -4.0076957E+4 -2.594041E+2 2.3859365E+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 -34.785 delta_h 165.700 #kJ/mol #97asho/sas -analytic -3.4178178E+2 -5.8907129E-2 9.9726351E+3 1.2301493E+2 -1.1805526E+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 7.9784108E+2 1.2859409E-1 -4.5530162E+4 -2.8764328E+2 2.9050439E+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 -2.4262613E+2 -4.1231924E-2 1.457473E+3 8.7665055E+1 -8.5036888E+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 9.7366392E+2 1.5468766E-1 -5.4365139E+4 -3.5110892E+2 3.4191788E+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 -31.499 delta_h 128.446 #kJ/mol #Internal calculation -analytic -1.5708374E+2 -3.1961335E-2 -1.8863724E+3 5.7311697E+1 -3.3200996E+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 6.440201E+2 1.0196703E-1 -3.477125E+4 -2.3381749E+2 2.1328321E+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 7.1469679E+2 1.1228921E-1 -4.0454654E+4 -2.5890435E+2 2.3867115E+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 8.30936E+2 1.3592313E-1 -4.7056266E+4 -3.0142634E+2 2.8866931E+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 1.6030059E+3 2.6130157E-1 -8.9033175E+4 -5.8291466E+2 5.3400537E+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 2.3395084E+3 3.8054766E-1 -1.2692279E+5 -8.5314333E+2 7.4093196E+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 2.2089413E+3 3.5855886E-1 -1.1752471E+5 -8.0770811E+2 6.7660298E+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 7.2948334E+2 1.1872287E-1 -3.6463635E+4 -2.6909442E+2 1.8697064E+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 9.235634E+2 1.4924318E-1 -5.2178725E+4 -3.3290883E+2 3.1543171E+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 1.7668683E+3 2.8396018E-1 -9.7562456E+4 -6.3933872E+2 5.8735722E+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 11.027 delta_h -13.048 #kJ/mol #95haa/sho -analytic 2.5885864E+3 4.1573881E-1 -1.394832E+5 -9.4019803E+2 8.2471101E+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 2.5952669E+3 4.1115742E-1 -1.3747882E+5 -9.4382861E+2 8.1655564E+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 8.6398893E+2 1.3798258E-1 -4.956159E+4 -3.1290317E+2 3.2354506E+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 8.740395E+2 1.400801E-1 -5.0409954E+4 -3.1571845E+2 3.2189952E+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 7.9393802E+2 1.2608632E-1 -4.4812801E+4 -2.8888958E+2 3.0068565E+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 -16.036 delta_h 145.778 #kJ/mol #95haa/sho -analytic 2.0182629E+2 3.2811956E-2 -1.4241552E+4 -7.2768876E+1 1.624869E+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 -33.465 delta_h 254.473 #kJ/mol #95haa/sho -analytic -2.0577818E+2 -3.6606642E-2 3.3101648E+3 7.6324873E+1 -1.4877272E+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 -24.523 delta_h 216.527 #kJ/mol #95haa/sho -analytic 2.1580819E+2 3.1415206E-2 -1.5301138E+4 -7.7913743E+1 -4.9642473E+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 -7.753 delta_h 79.039 #kJ/mol #95haa/sho -analytic 1.4826432E+2 2.2747286E-2 -1.0866063E+4 -5.240166E+1 2.9420983E+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 1.6456043E+3 2.6077455E-1 -8.927716E+4 -5.9705393E+2 5.0761041E+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 -8.411 delta_h 27.426 #kJ/mol #Internal calculation -analytic -5.4508318E+2 -9.0484926E-2 2.5827196E+4 1.9921533E+2 -1.415148E+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 -27.199 delta_h 130.485 #kJ/mol #Internal calculation -analytic -4.0970302E+2 -7.1282023E-2 1.8365533E+4 1.4675885E+2 -1.8656159E+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 -7.7016674E+2 -1.2356881E-1 4.2208754E+4 2.7809573E+2 -2.5631627E+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 2.920 #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 -7.4660952E+2 -1.2024237E-1 4.0983294E+4 2.692598E+2 -2.5314009E+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 7.6374624E+2 1.2282783E-1 -4.3349935E+4 -2.7623756E+2 2.691769E+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 7.6786272E+2 1.233539E-1 -4.3511107E+4 -2.7760873E+2 2.7308934E+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 53.020 delta_h -302.105 #kJ/mol #Internal calculation -analytic 2.1999422E+3 3.6360416E-1 -1.0258034E+5 -8.0392889E+2 6.9332366E+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 -16.093 delta_h 164.044 #kJ/mol #97asho/sas -analytic 2.3904793E+2 3.5869316E-2 -1.3955722E+4 -8.6703197E+1 -3.9880228E+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 7.9467131E+2 1.2793593E-1 -4.4347776E+4 -2.8632355E+2 2.8181688E+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 7.9284838E+2 1.2748511E-1 -4.5583015E+4 -2.8606089E+2 2.824407E+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 -9.820 delta_h 29.249 #kJ/mol #Internal calculation -analytic -5.8169918E+2 -9.3104803E-2 3.1944291E+4 2.0897781E+2 -2.1872745E+6 #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 -16.584 delta_h 69.671 #kJ/mol #97asho/sas -analytic -3.9144694E+2 -6.7898528E-2 1.9173616E+4 1.4087015E+2 -1.5801606E+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 8.1037722E+2 1.3067662E-1 -4.5360157E+4 -2.9173848E+2 2.8319756E+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 8.1698382E+2 1.2949891E-1 -4.7437648E+4 -2.9402229E+2 2.936438E+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 -3.299 delta_h 100.748 #kJ/mol #Internal calculation -analytic 9.9888596E+1 1.1922988E-2 1.2344241E+2 -3.7092635E+1 -1.366605E+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 -4.988 delta_h 96.790 #kJ/mol #97bsho/sas -analytic 3.7763911E+2 6.0546026E-2 -2.1655184E+4 -1.3557093E+2 6.5908462E+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 -21.187 delta_h 202.729 #kJ/mol #97bsho/sas -analytic 1.6270551E+2 2.2126769E-2 -1.0494373E+4 -5.8842701E+1 -8.613161E+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 -16.553 delta_h 104.650 #kJ/mol #97bsho/sas -analytic 1.1664748E+2 1.3247146E-2 -1.3203135E+4 -4.0068079E+1 5.5818665E+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 -19.230 delta_h 72.175 #kJ/mol #97bsho/sas -analytic -3.6154088E+2 -6.0676487E-2 1.5385894E+4 1.3001175E+2 -1.1475142E+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 -15.140 delta_h 62.301 #kJ/mol #97asho/sas -analytic -6.7215301E+2 -1.1795716E-1 2.5803944E+4 2.4962048E+2 -1.0698044E+6 #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 7.945168E+2 1.2806601E-1 -4.5447682E+4 -2.8660276E+2 2.889406E+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 -25.989 delta_h 221.152 #kJ/mol #97asho/sas -analytic 2.2343843E+2 3.3226388E-2 -1.5839398E+4 -8.1108271E+1 -4.8987062E+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 -27.733 delta_h 129.317 #kJ/mol #97asho/sas -analytic -2.0589946E+2 -4.077416E-2 2.6672542E+3 7.550614E+1 -4.8517335E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000ZrO+2 + 1.000H2O = HZrO2+ + 1.000H+ -llnl_gamma 4.1 log_k -3.355 delta_h 2.913 #kJ/mol #97asho/sas -analytic 3.3229766E+2 5.1263668E-2 -2.2024667E+4 -1.1941399E+2 1.6370614E+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 -14.261 delta_h 65.514 #kJ/mol #97asho/sas -analytic -1.6630156E+2 -3.272255E-2 3.0769802E+3 6.2127795E+1 -2.0038157E+5 #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 8.0564837E+2 1.3148067E-1 -4.3715489E+4 -2.9287838E+2 2.6449128E+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 8.9887702E+2 1.4513202E-1 -4.9986462E+4 -3.2432121E+2 2.9031806E+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 -7.827 delta_h 99.167 #kJ/mol #97asho/sas -analytic 1.7999311E+2 2.9477107E-2 -1.0184982E+4 -6.5096607E+1 -1.2182196E+5 #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 -22.030 delta_h 182.466 #kJ/mol #97asho/sas -analytic -2.150161E+2 -3.8048615E-2 6.808841E+3 7.9720336E+1 -1.4018343E+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 -4.015 delta_h 24.892 #kJ/mol #97asho/sas -analytic 1.7814483E+2 2.6786047E-2 -1.1493918E+4 -6.4158541E+1 6.3654978E+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 -24.221 delta_h 211.675 #kJ/mol #97apok/hel -analytic 6.0684613E+2 9.1807292E-2 -4.2432883E+4 -2.1638658E+2 1.7170012E+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 -2.515611E+2 -5.1873631E-2 1.000985E+4 9.4532457E+1 -1.2856881E+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 6.5419032E+2 1.0441276E-1 -3.6116409E+4 -2.3806473E+2 2.0573592E+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 7.8954676E+2 1.2046966E-1 -4.47224E+4 -2.855347E+2 2.7176383E+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 6.6054908E+2 1.0281308E-1 -3.6977052E+4 -2.3970567E+2 2.13804E+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 1.467403E+2 1.7322199E-2 -8.6602186E+3 -5.4068689E+1 3.9976957E+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 8.4152863E+2 1.2701334E-1 -4.7518341E+4 -3.0549548E+2 2.6202474E+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 6.1044268E+2 9.8874428E-2 -3.3332375E+4 -2.2276147E+2 1.9092241E+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 -14.460 delta_h 66.438 #kJ/mol #Internal calculation -analytic 1.2132073E+2 1.3166159E-2 -1.0189264E+4 -4.4122918E+1 3.243138E+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 -15.710 delta_h 39.592 #kJ/mol #76smi/mar -analytic 1.6898717E+3 2.6082183E-1 -9.4815762E+4 -6.1661111E+2 5.3719684E+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 9.1525391E+2 1.4348835E-1 -5.125381E+4 -3.3151921E+2 3.1178337E+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 8.1635365E+2 1.3260405E-1 -4.6231541E+4 -2.9594009E+2 2.824797E+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 1.5772337E+3 2.5601855E-1 -8.7259189E+4 -5.7351591E+2 5.1747829E+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 2.2943871E+3 3.7167207E-1 -1.2361589E+5 -8.3685781E+2 7.0939249E+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 2.1478116E+3 3.4713391E-1 -1.126144E+5 -7.8597892E+2 6.2657917E+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 8.8070388E+2 1.3716955E-1 -4.6016534E+4 -3.225356E+2 2.456756E+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 9.0882E+2 1.4587324E-1 -5.1579534E+4 -3.2743946E+2 3.0943374E+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 1.7394221E+3 2.7840438E-1 -9.6090191E+4 -6.2946552E+2 5.7065757E+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 8.828 delta_h -0.995 #kJ/mol #95haa/sho -analytic 2.5428954E+3 4.068631E-1 -1.3668427E+5 -9.2391198E+2 7.9317093E+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 2.515919E+3 3.9700172E-1 -1.3225007E+5 -9.1569753E+2 7.6129792E+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 8.4941487E+2 1.3470872E-1 -4.8690076E+4 -3.0739148E+2 3.1716234E+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 8.6124708E+2 1.3701977E-1 -4.9647011E+4 -3.1083645E+2 3.1620088E+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 7.7848412E+2 1.2273477E-1 -4.3906254E+4 -2.8300578E+2 2.9375218E+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 -18.162 delta_h 159.159 #kJ/mol #95haa/sho -analytic 2.0014934E+2 3.1719093E-2 -1.5018625E+4 -7.183422E+1 3.1418007E+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 -40.795 delta_h 298.184 #kJ/mol #95haa/sho -analytic -2.1961504E+2 -3.9453937E-2 1.8528912E+3 8.1546283E+1 -1.5478704E+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 -27.894 delta_h 237.270 #kJ/mol #95haa/sho -analytic 1.9825776E+2 2.7576247E-2 -1.5440239E+4 -7.1245745E+1 -5.5951918E+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 -8.633 delta_h 85.057 #kJ/mol #95haa/sho -analytic 1.4427123E+2 2.1295472E-2 -1.1155726E+4 -5.0627263E+1 3.0552209E+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 1.6377756E+3 2.5721268E-1 -8.890972E+4 -5.9382155E+2 5.0523888E+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 7.6755332E+2 1.2376014E-1 -4.224031E+4 -2.7980405E+2 2.4961471E+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 -13.642 delta_h 56.014 #kJ/mol #97asho/sas -analytic 9.6654044E+1 1.3349364E-2 -7.2486634E+3 -3.685422E+1 1.0932062E+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 8.3065237E+2 1.3557724E-1 -4.7247739E+4 -3.0126799E+2 2.9172646E+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 1.61013E+3 2.6205259E-1 -8.9751532E+4 -5.855227E+2 5.4225904E+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 2.3529382E+3 3.8350344E-1 -1.2778237E+5 -8.585713E+2 7.5222257E+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 2.2401685E+3 3.6276615E-1 -1.1968456E+5 -8.1943287E+2 7.0233821E+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 9.2406689E+2 1.4413187E-1 -4.7864787E+4 -3.3852998E+2 2.5909955E+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 9.2300257E+2 1.4904467E-1 -5.2423005E+4 -3.3238037E+2 3.1725407E+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 1.7748138E+3 2.8514135E-1 -9.8383874E+4 -6.4182295E+2 5.9403278E+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 2.6041361E+3 4.1869459E-1 -1.406988E+5 -9.4562601E+2 8.3600163E+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 2.6641709E+3 4.2131603E-1 -1.418005E+5 -9.6851587E+2 8.5160108E+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 8.6590697E+2 1.3785867E-1 -4.9658582E+4 -3.1367006E+2 3.2788681E+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 8.6599778E+2 1.3847545E-1 -4.9953575E+4 -3.1285827E+2 3.23073E+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 8.0197507E+2 1.2673942E-1 -4.5031902E+4 -2.9209596E+2 3.0782898E+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 -15.303 delta_h 136.978 #kJ/mol #95haa/sho -analytic 2.0718473E+2 3.3444629E-2 -1.4940859E+4 -7.4445172E+1 1.6552843E+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 -31.926 delta_h 238.950 #kJ/mol #95haa/sho -analytic -2.031016E+2 -3.5822636E-2 2.3596072E+3 7.5853834E+1 -1.2225828E+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 -23.863 delta_h 207.023 #kJ/mol #95haa/sho -analytic 2.7472209E+2 4.1467291E-2 -1.9503709E+4 -9.8921901E+1 -6.7283733E+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 -7.607 delta_h 74.709 #kJ/mol #95haa/sho -analytic 1.6163537E+2 2.4554978E-2 -1.2175062E+4 -5.6942191E+1 4.5975122E+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 1.6468472E+3 2.6057252E-1 -8.9434909E+4 -5.9741623E+2 5.0976962E+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 8.7719553E+2 1.3812548E-1 -5.0324925E+4 -3.170514E+2 3.1978527E+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 -39.749 delta_h 229.186 #kJ/mol #Internal calculation -analytic 1.2606143E+3 2.0941563E-1 -8.0065384E+4 -4.6056936E+2 4.0347961E+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 2.7241155E+2 3.5613036E-2 -1.6231778E+4 -9.8493595E+1 2.1275556E+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 8.3625242E+2 1.3422618E-1 -4.6833475E+4 -3.0373291E+2 2.9090889E+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 7.7698275E+2 1.265144E-1 -4.0717861E+4 -2.8627787E+2 2.0351522E+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 9.3050785E+2 1.4739513E-1 -5.2881126E+4 -3.3671118E+2 3.30941E+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 6.4358882E+2 9.5687821E-2 -3.3449863E+4 -2.3423757E+2 1.8981269E+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 8.3847543E+2 1.2866732E-1 -4.6573522E+4 -3.0382345E+2 2.9045112E+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 9.8988011E+2 1.5251379E-1 -5.3902191E+4 -3.5863879E+2 3.0254907E+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 9.2236978E+2 1.4553222E-1 -4.9509641E+4 -3.3734861E+2 2.7116164E+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 9.8487047E+2 1.5251379E-1 -5.4040192E+4 -3.5863879E+2 3.0254907E+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 -11.680 delta_h 62.834 #kJ/mol #Internal calculation -analytic 2.2363765E+2 3.1867527E-2 -1.6730585E+4 -8.0256794E+1 8.7882059E+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 -10.610 delta_h 45.031 #kJ/mol #76smi/mar -analytic 1.8398416E+3 2.8632228E-1 -1.0242809E+5 -6.6975443E+2 5.7772117E+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 1.0921013E+3 1.6933809E-1 -6.1181385E+4 -4.0019842E+2 3.3929554E+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 1.692301E+3 2.6688413E-1 -9.1846155E+4 -6.1481292E+2 5.3092016E+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 2.3868013E+2 3.2373586E-2 -1.3286951E+4 -8.778006E+1 9.8539255E+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 8.5360667E+2 1.3944842E-1 -4.8025035E+4 -3.0980515E+2 2.8766051E+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 8.8233543E+2 1.4187997E-1 -4.9330737E+4 -3.2022106E+2 3.0317507E+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 8.5233388E+2 1.346871E-1 -4.7596439E+4 -3.0908784E+2 2.9309768E+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 8.9133184E+2 1.4178927E-1 -4.7598277E+4 -3.2624556E+2 2.5998848E+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 -22.194 delta_h 122.917 #kJ/mol #97asho/sas -analytic 2.4166991E+2 3.9150052E-2 -1.7430046E+4 -8.9673142E+1 4.2802115E+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 -48.272 delta_h 235.076 #kJ/mol #97asho/sas -analytic -1.0584707E+3 -1.7468961E-1 4.7267384E+4 3.8252863E+2 -3.804217E+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 -10.612 delta_h 60.303 #kJ/mol #97asho/sas -analytic 1.7784334E+2 2.6842082E-2 -1.2422964E+4 -6.4772698E+1 4.8751735E+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 1.6669991E+3 2.6400995E-1 -9.0477791E+4 -6.0575368E+2 5.2128104E+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 5.8563295E+1 -2.6409657E-3 -9.6380335E+3 -1.9202785E+1 2.1777613E+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 -9.7147098E+1 -2.8901066E-2 -1.4784198E+3 3.7243413E+1 -1.8458041E+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 -7.655 delta_h 42.826 #kJ/mol #01sch/sho -analytic 1.8605674E+2 3.919814E-2 -9.6413622E+3 -7.1070532E+1 2.4875632E+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 -1.0364412E+3 -1.6896426E-1 4.4624122E+4 3.7375669E+2 -3.676592E+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 -23.628 delta_h 190.348 #kJ/mol #95pok/hel -analytic 6.5459073E+2 1.0393137E-1 -4.4810329E+4 -2.3513564E+2 2.0371086E+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 -3.4933501E+2 -7.1708394E-2 1.6125283E+4 1.2933658E+2 -1.5353401E+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 -8.976 delta_h 13.466 #kJ/mol #95pok/sch -analytic -5.2102045E+1 -2.7905158E-5 4.0380388E+3 1.395685E+1 -4.3955612E+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 7.7684069E+2 1.2166448E-1 -4.3187848E+4 -2.8215454E+2 2.5371411E+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 32.451 #kJ/mol #Internal calculation -analytic 8.7001165E+2 1.1462014E-1 -4.8239424E+4 -3.1452097E+2 2.3836603E+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 8.3493341E+2 1.3086197E-1 -4.6137586E+4 -3.0331405E+2 2.6985114E+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 5.4981405E+2 8.1313023E-2 -2.8352819E+4 -2.0026664E+2 1.4985896E+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 7.4433985E+2 1.1409501E-1 -4.2065553E+4 -2.6964707E+2 2.5038958E+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 1.8758022E+2 2.0070238E-2 -1.1257068E+4 -6.8100842E+1 5.6937754E+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 7.8588954E+2 1.1462014E-1 -4.3192767E+4 -2.8380464E+2 2.3836603E+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 8.9614224E+2 1.3295877E-1 -5.0616671E+4 -3.2470053E+2 2.7641904E+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 6.9652771E+2 1.1039589E-1 -3.8648051E+4 -2.5339188E+2 2.278602E+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 -14.750 delta_h 53.395 #kJ/mol #Internal calculation -analytic 5.4228076E+2 8.188068E-2 -3.2983502E+4 -1.9826056E+2 1.7571455E+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 -15.520 delta_h 38.336 #kJ/mol #76smi/mar -analytic 1.7437765E+3 2.6676725E-1 -9.7673535E+4 -6.3581617E+2 5.5159114E+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 9.3587508E+2 1.4438561E-1 -5.3022893E+4 -3.3839769E+2 3.3063928E+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 0.353 delta_h -9.470 #kJ/mol #Internal calculation -analytic 8.1125308E+2 1.3290115E-1 -4.4437392E+4 -2.9596645E+2 2.7440063E+6 #References = LogK/DGf: 02mig/will; DHf/DHr: Internal calculation; S°: 02mig/will; Cp: 95haa/sho; V°: 95haa/sho; 2.000Cl- + 1.000Nd+3 = NdCl2+ -llnl_gamma 4.5 log_k -2.515 delta_h 61.356 #kJ/mol #Internal calculation -analytic 1.5654601E+3 2.5357963E-1 -8.7419323E+4 -5.6819053E+2 4.9403891E+6 #References = LogK/DGf: 02mig/will; DHf/DHr: Internal calculation; S°: 02mig/will; 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 2.2484789E+3 3.638319E-1 -1.1928708E+5 -8.2107854E+2 6.6277119E+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 1.6636197E+3 2.8151308E-1 -8.1237365E+4 -6.1456822E+2 3.9942372E+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 7.1585094E+2 1.1644129E-1 -3.5928996E+4 -2.6401133E+2 1.8319437E+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 4.409 delta_h 22.486 #kJ/mol #95haa/sho -analytic 9.0701022E+2 1.4596845E-1 -5.0799804E+4 -3.2720465E+2 3.0141759E+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 1.71891E+3 2.7521732E-1 -9.3572659E+4 -6.2275347E+2 5.4656377E+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 2.4963985E+3 3.9902305E-1 -1.3185181E+5 -9.081332E+2 7.4655024E+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 2.0115814E+3 3.2824721E-1 -9.9239104E+4 -7.3716718E+2 5.2859015E+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 8.4865154E+2 1.3506644E-1 -4.8254648E+4 -3.0743365E+2 3.0893144E+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 8.6312487E+2 1.3775449E-1 -4.9329757E+4 -3.1183922E+2 3.0885617E+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 7.7708742E+2 1.230451E-1 -4.33463E+4 -2.8275768E+2 2.8505013E+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 -17.062 delta_h 154.131 #kJ/mol #95haa/sho -analytic 2.1594467E+2 3.4768269E-2 -1.5557677E+4 -7.7628738E+1 7.9528355E+4 #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 -37.057 delta_h 278.717 #kJ/mol #95haa/sho -analytic -2.1114089E+2 -3.7481289E-2 2.7207202E+3 7.8285008E+1 -1.5625265E+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 -26.355 delta_h 230.105 #kJ/mol #95haa/sho -analytic 1.9658179E+2 2.7624854E-2 -1.4737448E+4 -7.0729978E+1 -5.9797696E+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 -8.120 delta_h 83.126 #kJ/mol #95haa/sho -analytic 1.5768478E+2 2.3996887E-2 -1.1745692E+4 -5.5564534E+1 3.4906451E+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 1.6353148E+3 2.5876304E-1 -8.8784595E+4 -5.9319424E+2 5.05476E+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 -59.038 delta_h 398.898 #kJ/mol #01sch/sho -analytic 2.9769595E+3 4.7504862E-1 -1.881972E+5 -1.0766255E+3 1.0455912E+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 3.7494579E+1 -1.5452439E-3 -6.956038E+2 -1.1496407E+1 2.6555112E+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 3.115726E+3 4.8046959E-1 -1.6103638E+5 -1.1305387E+3 1.0015469E+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 3.8659718E+3 5.9560653E-1 -2.0178908E+5 -1.403727E+3 1.2446855E+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 2.2480706E+2 2.9293225E-2 -1.2692927E+4 -8.1674962E+1 4.139955E+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 7.9676213E+2 1.2939034E-1 -4.4201349E+4 -2.8974155E+2 2.6676555E+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 8.779514E+2 1.3998177E-1 -4.922259E+4 -3.1775188E+2 2.9480422E+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 8.0557652E+2 1.2506786E-1 -4.4376704E+4 -2.9209453E+2 2.7044683E+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 8.954335E+2 1.4271768E-1 -4.7838089E+4 -3.2756746E+2 2.5977277E+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 -19.500 delta_h 98.873 #kJ/mol #Internal calculation -analytic 3.3919349E+2 5.4537568E-2 -2.3157132E+4 -1.2467759E+2 9.9759929E+5 #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 -9.500 delta_h 35.576 #kJ/mol #Internal calculation -analytic 2.1705626E+2 3.3172862E-2 -1.5100461E+4 -7.912071E+1 8.87139E+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 -9.010 delta_h 8.643 #kJ/mol #Internal calculation -analytic 1.8117237E+3 2.8442207E-1 -9.9320159E+4 -6.6151768E+2 5.7309693E+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 1.7287551E+3 2.7178492E-1 -9.5602329E+4 -6.2662671E+2 5.6741374E+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 5.4973567E+2 8.9332424E-2 -3.4851798E+4 -1.9828458E+2 2.1249305E+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 48.714 delta_h -290.559 #kJ/mol #97asho/sas -analytic -7.4703802E+1 -1.2812911E-2 2.0195988E+4 2.594405E+1 -4.1751971E+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 -14.001 delta_h 55.815 #kJ/mol #89cox/wag -analytic -7.2302789E+2 -1.159352E-1 3.7292444E+4 2.6126053E+2 -2.4853506E+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 -17.811 delta_h 32.478 #kJ/mol #Internal calculation -analytic -1.516313E+3 -2.4488765E-1 8.2037869E+4 5.4735201E+2 -5.1583205E+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 9.2699314E+2 1.4344292E-1 -5.1261272E+4 -3.3714324E+2 2.9408143E+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 -65.579 #kJ/mol #Internal calculation -analytic 1.6254192E+3 2.5826523E-1 -8.6954701E+4 -5.8916322E+2 5.5187301E+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 1.9733495E+3 3.1294736E-1 -1.0667543E+5 -7.1501503E+2 6.8140809E+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 -38.899 delta_h 197.474 #kJ/mol #Internal calculation -analytic 4.2315542E+2 3.5447211E-2 -3.179048E+4 -1.5132056E+2 7.4989763E+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 -20.629 delta_h 82.037 #kJ/mol #Internal calculation -analytic 1.239277E+3 1.7918943E-1 -7.1832869E+4 -4.5043386E+2 3.7483522E+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 -42.677 delta_h 192.157 #kJ/mol #Internal calculation -analytic 1.8703337E+3 2.6255071E-1 -1.1146481E+5 -6.7865283E+2 5.4977346E+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 3.5533474E+2 5.2767349E-2 -2.015591E+4 -1.2948412E+2 4.6230102E+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 8.6382261E+2 1.4020235E-1 -4.7427426E+4 -3.1399197E+2 2.8304634E+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 1.542624E+3 2.4867269E-1 -8.4545842E+4 -5.6074298E+2 5.0068672E+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 1.7730074E+3 2.8656961E-1 -9.7270496E+4 -6.4482215E+2 5.7833213E+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 1.7059952E+3 2.7716813E-1 -9.3612905E+4 -6.2096366E+2 5.625213E+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 8.713746E+2 1.3980171E-1 -4.7875425E+4 -3.1641945E+2 2.9110628E+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 1.7070384E+3 2.7307904E-1 -9.3362629E+4 -6.2056635E+2 5.6219623E+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 7.3145603E+2 1.1407873E-1 -3.7319759E+4 -2.6618318E+2 2.0914473E+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 9.3632677E+2 1.4861299E-1 -5.207374E+4 -3.3932581E+2 3.1285417E+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 8.6079856E+2 1.3564372E-1 -4.6327577E+4 -3.1465555E+2 2.5397795E+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 -16.950 delta_h 97.823 #kJ/mol #Internal calculation -analytic 1.6034879E+2 2.4525912E-2 -1.0990386E+4 -5.9908315E+1 4.3582989E+4 #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 -7.510 delta_h 4.021 #kJ/mol #Internal calculation -analytic 6.3009541E+1 8.0294244E-3 -3.0296716E+3 -2.5513203E+1 3.3702106E+4 #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 1.7031678E+3 2.6612858E-1 -9.4494186E+4 -6.168295E+2 5.6487689E+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 1.8328034E+3 2.8730619E-1 -1.0245546E+5 -6.6270592E+2 6.1815486E+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 2.003922E+3 3.1049E-1 -1.1510777E+5 -7.2128973E+2 7.1731075E+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 8.1839102E+2 1.3409427E-1 -4.3615188E+4 -2.9786761E+2 2.7628651E+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 1.6134857E+3 2.6312736E-1 -8.5772785E+4 -5.8779223E+2 5.4161121E+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 1.6089602E+3 2.6370322E-1 -8.5838371E+4 -5.8634303E+2 5.71817E+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 1.5764881E+3 2.5922383E-1 -8.3561047E+4 -5.7571264E+2 5.8839455E+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 -2.182 delta_h 6.074 #kJ/mol #98sas/sho -analytic 2.6894351E+2 4.4303894E-2 -1.3156672E+4 -9.9694179E+1 5.759613E+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 -0.988 delta_h 6.864 #kJ/mol #98sas/sho -analytic 1.7819067E+2 2.7741691E-2 -9.7512242E+3 -6.4881145E+1 5.1561571E+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 1.6703525E+3 2.6532462E-1 -9.0413635E+4 -6.0720933E+2 5.223936E+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 -1.4841661E+3 -2.403801E-1 8.1179902E+4 5.3408286E+2 -5.116392E+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 8.2254676E+2 1.3444003E-1 -4.61668E+4 -2.9856961E+2 2.7847004E+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 1.5750521E+3 2.5636087E-1 -8.640606E+4 -5.7323784E+2 5.0506311E+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 2.2754534E+3 3.6890787E-1 -1.2146797E+5 -8.306082E+2 6.8417122E+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 1.7182161E+3 2.9070316E-1 -8.5507738E+4 -6.3375482E+2 4.3909277E+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 7.2138626E+2 1.1758392E-1 -3.6202894E+4 -2.6611833E+2 1.8416958E+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 9.1398788E+2 1.4748959E-1 -5.1312825E+4 -3.2975399E+2 3.0542718E+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 1.7346648E+3 2.7829632E-1 -9.4856916E+4 -6.2835263E+2 5.57848E+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 2.5235027E+3 4.0409891E-1 -1.3413726E+5 -9.1766238E+2 7.6794967E+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 2.4722098E+3 3.9032688E-1 -1.2770305E+5 -9.0092669E+2 7.1748958E+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 8.5579502E+2 1.3661585E-1 -4.8693192E+4 -3.10067E+2 3.1303306E+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 8.4632289E+2 1.3502981E-1 -4.7807723E+4 -3.0679399E+2 3.0973294E+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 7.8435651E+2 1.2461456E-1 -4.3847358E+4 -2.8544941E+2 2.8921439E+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 -17.282 delta_h 155.136 #kJ/mol #95haa/sho -analytic 2.1505188E+2 3.4941731E-2 -1.5395073E+4 -7.747595E+1 5.2658598E+4 #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 -37.570 delta_h 281.272 #kJ/mol #95haa/sho -analytic -2.1156529E+2 -3.7236822E-2 2.7251464E+3 7.829187E+1 -1.5797207E+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 -26.575 delta_h 230.986 #kJ/mol #95haa/sho -analytic 2.0346398E+2 2.8379542E-2 -1.498398E+4 -7.3311633E+1 -6.079409E+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 -8.266 delta_h 83.714 #kJ/mol #95haa/sho -analytic 1.568605E+2 2.4159485E-2 -1.1569421E+4 -5.5430282E+1 3.2291166E+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 1.6468349E+3 2.6102645E-1 -9.1474867E+4 -5.9754798E+2 5.078874E+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 1.825619E+3 2.8625926E-1 -1.0194747E+5 -6.6013311E+2 6.1585846E+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 1.9956647E+3 3.0926635E-1 -1.1461914E+5 -7.1836382E+2 7.1424764E+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 8.136846E+2 1.3336916E-1 -4.2478118E+4 -2.9625189E+2 2.7354002E+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 1.6086651E+3 2.6251481E-1 -8.3744569E+4 -5.8633828E+2 5.3618285E+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 1.5878969E+3 2.6017188E-1 -8.2562704E+4 -5.7909542E+2 5.5922413E+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 1.5484326E+3 2.5438399E-1 -7.9703614E+4 -5.662E+2 5.7008799E+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 4.437 delta_h -32.955 #kJ/mol #98sas/sho -analytic 2.8023516E+2 4.6356445E-2 -1.1971125E+4 -1.037808E+2 6.5162285E+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 2.465 delta_h -13.841 #kJ/mol #98sas/sho -analytic 1.8597453E+2 2.89547E-2 -9.3880305E+3 -6.7592535E+1 5.8654615E+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 1.6713406E+3 2.6568597E-1 -9.0259829E+4 -6.0764518E+2 5.2221456E+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 6.4939177E+2 1.0250026E-1 -3.5678839E+4 -2.3605365E+2 2.0087942E+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 6.4893651E+2 1.0345519E-1 -3.5314004E+4 -2.3619336E+2 1.9698919E+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 7.2299104E+2 1.1414147E-1 -3.8880808E+4 -2.6290537E+2 2.2158284E+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 5.9916632E+2 9.5931446E-2 -3.2538042E+4 -2.1835691E+2 1.8413876E+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 -14.204 delta_h 64.213 #kJ/mol #97asho/sas -analytic 5.1747365E-1 -3.1864225E-3 -1.8801903E+3 -1.6746387E+0 -2.9523567E+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 2.551319E+3 4.0341267E-1 -1.4205388E+5 -9.2337766E+2 8.1624977E+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 1.8025014E+3 2.8181344E-1 -1.0096726E+5 -6.5150893E+2 6.1115526E+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 2.7847276E+3 4.3682983E-1 -1.5921351E+5 -1.0036951E+3 9.2967665E+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 1.973948E+3 3.0504126E-1 -1.1363556E+5 -7.1027158E+2 7.099959E+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 7.9942463E+2 1.3016858E-1 -4.4359067E+4 -2.9095129E+2 2.6916905E+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 8.3283361E+2 1.3629397E-1 -4.66684E+4 -3.0224381E+2 2.9300334E+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 1.6310717E+3 2.6554033E-1 -8.9751306E+4 -5.9332801E+2 5.5326626E+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 -0.773 delta_h -3.394 #kJ/mol #98sas/sho -analytic 1.5927413E+3 2.5933664E-1 -8.7318436E+4 -5.8080917E+2 5.2631047E+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 2.366619E+3 3.8725125E-1 -1.2704145E+5 -8.6423353E+2 7.6313997E+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 1.5502432E+3 2.5286251E-1 -8.5900495E+4 -5.6587094E+2 5.3864897E+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 2.3207399E+3 3.7507528E-1 -1.2284848E+5 -8.4908994E+2 7.4479454E+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 1.4969207E+3 2.4443621E-1 -8.2504138E+4 -5.4840384E+2 5.3881494E+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 -5.400 delta_h 75.962 #kJ/mol #98sas/sho -analytic 2.2483762E+2 3.667892E-2 -1.3279613E+4 -8.0884344E+1 3.1195009E+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 -15.948 delta_h 81.032 #kJ/mol #98sas/sho -analytic 2.918108E+2 4.7802055E-2 -1.9189086E+4 -1.0768961E+2 7.8405239E+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 -7.834 delta_h 43.198 #kJ/mol #98sas/sho -analytic 1.9955285E+2 3.0147506E-2 -1.382324E+4 -7.2042752E+1 7.3365394E+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 -2.498 delta_h 42.178 #kJ/mol #98sas/sho -analytic 1.7459634E+2 2.7147056E-2 -1.1659E+4 -6.1672037E+1 5.7958425E+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 1.6670695E+3 2.6422071E-1 -9.1392594E+4 -6.0470485E+2 5.204568E+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 1.6662284E+3 2.643244E-1 -9.0242681E+4 -6.0564173E+2 5.221268E+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 2.5456562E+3 4.0235895E-1 -1.4128764E+5 -9.2146744E+2 8.0966633E+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 1.8095702E+3 2.8292532E-1 -1.0145972E+5 -6.5407292E+2 6.1319394E+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 2.7805071E+3 4.3599372E-1 -1.5859115E+5 -1.0023081E+3 9.2353812E+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 1.9783349E+3 3.0571876E-1 -1.1412926E+5 -7.1183982E+2 7.1125138E+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 8.0086052E+2 1.3040448E-1 -4.4592224E+4 -2.9141572E+2 2.7040583E+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 8.4566243E+2 1.3854465E-1 -4.7776586E+4 -3.0665709E+2 3.0454742E+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 1.6644313E+3 2.7146021E-1 -9.2650933E+4 -6.0479864E+2 5.8402814E+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 1.595528E+3 2.5972204E-1 -8.7828475E+4 -5.816473E+2 5.295329E+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 2.4332648E+3 3.988706E-1 -1.3271343E+5 -8.8718544E+2 8.2273139E+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 1.55914E+3 2.544506E-1 -8.6909863E+4 -5.6886442E+2 5.4510262E+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 2.42266E+3 3.9315121E-1 -1.3187021E+5 -8.8413287E+2 8.3862363E+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 1.5103672E+3 2.468895E-1 -8.4008102E+4 -5.528902E+2 5.4881187E+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 2.4406041E+3 3.9395351E-1 -1.3121619E+5 -8.9436672E+2 8.8003754E+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 2.398678E+3 3.8299788E-1 -1.242379E+5 -8.8470795E+2 8.5785524E+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 -3.509 delta_h 65.666 #kJ/mol #98sas/sho -analytic 2.1053454E+2 3.4339559E-2 -1.1504754E+4 -7.5918756E+1 1.9210195E+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 -15.399 delta_h 78.642 #kJ/mol #98sas/sho -analytic 2.8502004E+2 4.6597664E-2 -1.8545838E+4 -1.0524041E+2 7.3798215E+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 -7.555 delta_h 42.231 #kJ/mol #98sas/sho -analytic 1.9064829E+2 2.88222E-2 -1.3104526E+4 -6.888978E+1 6.7728052E+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 -2.234 delta_h 40.921 #kJ/mol #98sas/sho -analytic 1.6252471E+2 2.5115178E-2 -1.0499562E+4 -5.7513454E+1 4.6956955E+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 1.6578068E+3 2.6264554E-1 -9.0448177E+4 -6.0149528E+2 5.1271119E+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 1.6653938E+3 2.6410378E-1 -9.0244049E+4 -6.053037E+2 5.2208407E+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 7.5990924E+2 1.0332456E-1 -4.4624166E+4 -2.7565023E+2 2.1275102E+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 -3.333 delta_h 8.189 #kJ/mol #04chi -analytic -5.0808391E+1 -5.7939636E-3 2.6885856E+3 1.7194332E+1 -2.0986896E+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 12.850 delta_h 2.605 #kJ/mol #Internal calculation -analytic 1.4609098E+3 2.3526643E-1 -8.090417E+4 -5.2657763E+2 4.9896902E+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 7.903 delta_h -44.062 #kJ/mol #04chi -analytic 6.4105216E+2 1.0610644E-1 -3.2939051E+4 -2.3376269E+2 2.144492E+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 18.881 delta_h -68.607 #kJ/mol #97asho/sas -analytic 1.4125857E+3 2.2730359E-1 -7.4567136E+4 -5.1132411E+2 4.7880078E+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 18.036 delta_h -90.143 #kJ/mol #04chi -analytic 1.3325896E+3 2.1804958E-1 -6.8851089E+4 -4.8463888E+2 4.4953752E+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 27.056 delta_h -104.283 #kJ/mol #97asho/sas -analytic 1.509226E+3 2.4211391E-1 -7.8114083E+4 -5.4560243E+2 5.1288867E+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 27.949 delta_h -134.964 #kJ/mol #04chi -analytic 2.027203E+3 3.3042854E-1 -1.0499647E+5 -7.366256E+2 6.8555421E+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 0.871 delta_h 26.266 #kJ/mol #97asho/sas -analytic 2.1005465E+3 3.3737902E-1 -1.1779345E+5 -7.6187185E+2 7.1131185E+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 43.519 delta_h -258.255 #kJ/mol #Internal calculation -analytic 1.1425624E+3 2.0226605E-1 -4.4375611E+4 -4.2266863E+2 3.1427329E+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 23.306 delta_h -117.402 #kJ/mol #97asho/sas -analytic 7.1893928E+2 1.1608779E-1 -3.3663289E+4 -2.6057297E+2 2.4386067E+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 -9.732 delta_h 106.303 #kJ/mol #97asho/sas -analytic 1.8771228E+2 3.0715425E-2 -1.0976497E+4 -6.8152772E+1 -1.0201253E+5 #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 -25.989 delta_h 206.682 #kJ/mol #97asho/sas -analytic -2.3820422E+2 -4.1309483E-2 7.3527354E+3 8.7856356E+1 -1.5577674E+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 -4.308 delta_h 60.247 #kJ/mol #97asho/sas -analytic 1.3842768E+2 2.1384803E-2 -8.6113214E+3 -4.925553E+1 1.4670462E+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 43.890 delta_h -221.410 #kJ/mol #97asho/sas -analytic 9.452807E+2 1.5128321E-1 -4.0871323E+4 -3.4175692E+2 3.2217591E+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 -70.065 delta_h 548.922 #kJ/mol #01sch/sho -analytic 6.0803233E+3 9.6429773E-1 -3.7059279E+5 -2.1964555E+3 2.1340358E+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 -8.500 delta_h 21.714 #kJ/mol #Internal calculation -analytic 1.601384E+2 2.2967889E-2 -6.9307816E+3 -6.1445436E+1 -1.7592628E+4 #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 -19.400 delta_h 57.128 #kJ/mol #Internal calculation -analytic 2.4483144E+2 2.2967889E-2 -1.2759796E+4 -9.2176672E+1 -1.7592628E+4 #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 -29.401 delta_h 87.404 #kJ/mol #Internal calculation -analytic 3.7867599E+2 3.6141463E-2 -1.9849346E+4 -1.4240552E+2 8.5342353E+3 #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 -29.401 delta_h 87.404 #kJ/mol #Internal calculation -analytic 4.0153365E+2 3.9520722E-2 -2.108976E+4 -1.5068655E+2 7.8380589E+4 #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 -39.201 delta_h 116.539 #kJ/mol #Internal calculation -analytic 5.353782E+2 5.2694296E-2 -2.811968E+4 -2.0091539E+2 1.0450745E+5 #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 -15.201 delta_h 33.154 #kJ/mol #Internal calculation -analytic 3.659921E+2 5.2694296E-2 -1.5805722E+4 -1.3945292E+2 1.0450745E+5 #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 -39.101 delta_h 115.968 #kJ/mol #Internal calculation -analytic 5.1252054E+2 4.9315037E-2 -2.6849451E+4 -1.9263437E+2 3.4661098E+4 #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 -39.101 delta_h 115.968 #kJ/mol #Internal calculation -analytic 5.353782E+2 5.2694296E-2 -2.8089865E+4 -2.0091539E+2 1.0450745E+5 #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 -61.503 delta_h 190.220 #kJ/mol #Internal calculation -analytic 8.7164025E+2 8.9179221E-2 -4.6705767E+4 -3.2621617E+2 3.6630024E+5 #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 -59.090 #kJ/mol #88sho/hel -analytic 2.9934391E+3 4.815153E-1 -1.587155E+5 -1.0854045E+3 9.5404116E+6 #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 8.1417583E+2 1.3280258E-1 -4.5595045E+4 -2.9554718E+2 2.7369344E+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 1.5580755E+3 2.5323144E-1 -8.5086474E+4 -5.67261E+2 4.928058E+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 2.2472217E+3 3.6383443E-1 -1.1911355E+5 -8.2077824E+2 6.6150902E+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 1.6568872E+3 2.8048624E-1 -8.0746942E+4 -6.1229656E+2 3.9675208E+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 7.183597E+2 1.1692218E-1 -3.5990243E+4 -2.64966E+2 1.8374698E+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 4.409 delta_h 22.985 #kJ/mol #95haa/sho -analytic 9.0555003E+2 1.4583404E-1 -5.0713933E+4 -3.2667713E+2 3.0059032E+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 7.718 delta_h 13.451 #kJ/mol #95haa/sho -analytic 1.7179557E+3 2.7518278E-1 -9.3475565E+4 -6.2242385E+2 5.4564423E+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 2.4954036E+3 3.9902558E-1 -1.3169091E+5 -9.078329E+2 7.4528808E+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 12.137 delta_h -50.074 #kJ/mol #95haa/sho -analytic 2.0120174E+3 3.2837719E-1 -9.9124744E+4 -7.3741492E+2 5.2771225E+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 8.469815E+2 1.3486836E-1 -4.8141097E+4 -3.0688495E+2 3.0825426E+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 8.6053979E+2 1.37448E-1 -4.9163484E+4 -3.1096544E+2 3.0781942E+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 7.7581105E+2 1.2291034E-1 -4.3203226E+4 -2.8239324E+2 2.8456925E+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 -16.476 delta_h 150.160 #kJ/mol #95haa/sho -analytic 2.1723031E+2 3.5096449E-2 -1.5517824E+4 -7.8097469E+1 9.9892946E+4 #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 -35.005 delta_h 266.129 #kJ/mol #95haa/sho -analytic -2.0144743E+2 -3.5964054E-2 2.6216666E+3 7.4845743E+1 -1.4959409E+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 -25.915 delta_h 226.722 #kJ/mol #95haa/sho -analytic 3.2264693E+2 4.8800504E-2 -2.1330832E+4 -1.1692234E+2 -2.0013885E+5 #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 -7.973 delta_h 81.791 #kJ/mol #95haa/sho -analytic 1.604726E+2 2.4561137E-2 -1.1909836E+4 -5.6581066E+1 3.7186057E+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 1.6441727E+3 2.6039619E-1 -8.9216864E+4 -5.9647906E+2 5.075477E+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 -7.072 delta_h 42.963 #kJ/mol #97asho/sas -analytic 1.9003412E+2 2.9470557E-2 -1.0300215E+4 -7.0305864E+1 2.3307576E+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 -3.407 delta_h 27.532 #kJ/mol #97asho/sas -analytic 1.5185251E+2 2.26432E-2 -8.6556514E+3 -5.515485E+1 3.1095711E+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 7.1800764E+2 1.1713203E-1 -3.8145718E+4 -2.6405068E+2 1.8547892E+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 9.6006291E+2 1.5199542E-1 -5.5122473E+4 -3.4633219E+2 3.3475266E+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 3.0904863E+2 4.4557984E-2 -1.8324214E+4 -1.1237079E+2 3.1953453E+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 8.1483398E+2 1.3239255E-1 -4.5357313E+4 -2.963007E+2 2.7351726E+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 8.549729E+2 1.3681732E-1 -4.7790892E+4 -3.1037473E+2 2.9070099E+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 6.6325279E+2 1.0241162E-1 -3.4997932E+4 -2.4144609E+2 1.9057574E+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 8.639698E+2 1.3631157E-1 -4.8294405E+4 -3.1311061E+2 2.9300089E+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 8.6810085E+2 1.3702965E-1 -4.6939884E+4 -3.1741842E+2 2.5566666E+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 -13.290 delta_h 82.608 #kJ/mol #Internal calculation -analytic 1.3925835E+2 2.0503061E-2 -1.0913316E+4 -5.0593077E+1 2.7838631E+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 1.7733534E+3 2.6670392E-1 -9.749797E+4 -6.4131673E+2 5.6300692E+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 8.2636481E+2 1.3516859E-1 -4.6636167E+4 -2.9986384E+2 2.8440981E+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 1.5907027E+3 2.592204E-1 -8.7918639E+4 -5.7868264E+2 5.2257141E+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 2.3151289E+3 3.7630951E-1 -1.2477837E+5 -8.447025E+2 7.1928096E+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 2.1704367E+3 3.5191379E-1 -1.1409893E+5 -7.9440799E+2 6.4180439E+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 7.1212831E+2 1.1821708E-1 -3.5408797E+4 -2.6324867E+2 1.8124921E+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 9.1896886E+2 1.484885E-1 -5.1773866E+4 -3.3134581E+2 3.1117157E+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 1.7544768E+3 2.8187668E-1 -9.6470633E+4 -6.350988E+2 5.7591387E+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 2.5641193E+3 4.1150067E-1 -1.3737827E+5 -9.3175712E+2 8.0306002E+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 2.5515215E+3 4.0376241E-1 -1.3381147E+5 -9.2866045E+2 7.8008608E+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 8.5978775E+2 1.3733185E-1 -4.9177828E+4 -3.1148232E+2 3.1926878E+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 8.5058122E+2 1.3578331E-1 -4.8298031E+4 -3.0831879E+2 3.1608553E+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 7.8947978E+2 1.2540017E-1 -4.430973E+4 -2.8736954E+2 2.9630741E+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 -16.183 delta_h 146.740 #kJ/mol #95haa/sho -analytic 2.0816256E+2 3.3910407E-2 -1.4725197E+4 -7.5027614E+1 5.1884448E+4 #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 -34.198 delta_h 258.906 #kJ/mol #95haa/sho -analytic -1.9759152E+2 -3.5265685E-2 2.5663792E+3 7.3395747E+1 -1.4501139E+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 -25.036 delta_h 219.580 #kJ/mol #95haa/sho -analytic 2.2033529E+2 3.2200812E-2 -1.5776727E+4 -7.9521389E+1 -4.6987081E+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 -7.827 delta_h 79.582 #kJ/mol #95haa/sho -analytic 1.547826E+2 2.3885736E-2 -1.1340663E+4 -5.4726702E+1 3.3100949E+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 1.6378326E+3 2.5957663E-1 -8.8820607E+4 -5.9425471E+2 5.0533778E+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 -1.569 delta_h 59.815 #kJ/mol #Internal calculation -analytic 4.276899E+2 6.2849603E-2 -2.3635778E+4 -1.5324922E+2 9.3179018E+5 #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 1.8636088E+3 2.9458748E-1 -1.0166459E+5 -6.7594831E+2 5.9127165E+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 7.8251767E+2 1.2726102E-1 -4.0012323E+4 -2.8493738E+2 2.3595147E+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 6.4703688E+2 1.0349976E-1 -3.4122179E+4 -2.3650095E+2 1.9805354E+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 1.750453E+3 2.816997E-1 -9.1629414E+4 -6.3647215E+2 5.4486013E+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 1.3893312E+3 2.1764915E-1 -7.5784562E+4 -5.0568142E+2 4.5547295E+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 -47.473 #kJ/mol #Internal calculation -analytic 2.3934561E+3 3.8436306E-1 -1.2660392E+5 -8.695951E+2 7.5411857E+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 -42.353 #kJ/mol #Internal calculation -analytic 3.0366682E+3 4.8702642E-1 -1.6198657E+5 -1.102718E+3 9.6337701E+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 7.4259247E+2 1.0785127E-1 -4.1546607E+4 -2.7059371E+2 2.3108902E+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 7.2685203E+2 1.1460803E-1 -3.9447315E+4 -2.6421614E+2 2.2374603E+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 6.9710431E+2 1.0785127E-1 -3.9001479E+4 -2.5199482E+2 2.3108902E+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 7.5537387E+2 1.1564699E-1 -4.2183587E+4 -2.7228448E+2 2.497071E+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 -14.999 delta_h 155.556 #kJ/mol #Internal calculation -analytic -2.5181581E+2 -4.4884683E-2 1.4153163E+4 9.1700236E+1 -2.1492104E+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 -0.643 delta_h 10.635 #kJ/mol #Internal calculation -analytic 9.8777617E+1 1.4275663E-2 -4.2930168E+3 -3.6285945E+1 4.5243559E+4 #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 -13.310 delta_h 58.236 #kJ/mol #Internal calculation -analytic -1.0817025E+1 -5.1018864E-3 -1.0444619E+3 2.47141E+0 -3.185702E+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 7.9859702E+2 1.093656E-1 -4.4043205E+4 -2.9325723E+2 2.3239556E+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 1.5130977E+3 2.3053693E-1 -8.4059499E+4 -5.4758948E+2 5.0188448E+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 8.2725632E+2 1.3522175E-1 -4.6781855E+4 -3.0014594E+2 2.8689264E+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 1.5966813E+3 2.6008996E-1 -8.84748E+4 -5.8078391E+2 5.2992244E+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 2.3311354E+3 3.7940257E-1 -1.2591841E+5 -8.5061726E+2 7.3288759E+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 2.1934665E+3 3.5555517E-1 -1.1596197E+5 -8.0269123E+2 6.6517968E+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 7.3741418E+2 1.1985883E-1 -3.6824595E+4 -2.7200984E+2 1.8965307E+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 9.2055759E+2 1.4875293E-1 -5.1992818E+4 -3.3175993E+2 3.1328809E+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 8.451 delta_h 12.511 #kJ/mol #95haa/sho -analytic 1.762581E+3 2.8321851E-1 -9.7201588E+4 -6.3778056E+2 5.830526E+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 2.5811298E+3 4.145936E-1 -1.3873053E+5 -9.3767144E+2 8.1666603E+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 2.5968348E+3 4.1089632E-1 -1.3698788E+5 -9.4470499E+2 8.0925281E+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 8.6117111E+2 1.3741492E-1 -4.9286862E+4 -3.1200594E+2 3.2217149E+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 8.6648825E+2 1.387482E-1 -4.9876381E+4 -3.1307529E+2 3.1915913E+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 7.9323793E+2 1.2571561E-1 -4.4605263E+4 -2.888348E+2 3.0049896E+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 -15.890 delta_h 142.945 #kJ/mol #95haa/sho -analytic 2.0545696E+2 3.3376845E-2 -1.4711688E+4 -7.3957503E+1 9.3189542E+4 #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 -32.659 delta_h 247.001 #kJ/mol #95haa/sho -analytic -2.0085342E+2 -3.5879637E-2 2.6085707E+3 7.4866442E+1 -1.3431204E+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 -24.156 delta_h 211.940 #kJ/mol #95haa/sho -analytic 2.45708E+2 3.6308603E-2 -1.73663E+4 -8.8563737E+1 -2.9312229E+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 -7.680 delta_h 77.123 #kJ/mol #95haa/sho -analytic 1.5542484E+2 2.3881134E-2 -1.1537644E+4 -5.4868008E+1 3.7688406E+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 1.6450215E+3 2.6061676E-1 -8.9241948E+4 -5.9684934E+2 5.0765906E+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 -0.533 delta_h 46.808 #kJ/mol #97bsho/sas -analytic 1.4994368E+2 2.387185E-2 -9.5100277E+3 -5.2425834E+1 3.57955E+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 -12.701 delta_h 130.982 #kJ/mol #97bsho/sas -analytic 2.0886554E+2 3.383063E-2 -1.3271703E+4 -7.5398437E+1 -5.0777344E+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 -1.999 delta_h 73.139 #kJ/mol #97bsho/sas -analytic 2.0859076E+2 3.4819859E-2 -1.1122129E+4 -7.4710262E+1 1.0648873E+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 -4.548 delta_h 76.066 #kJ/mol #97bsho/sas -analytic 5.4725996E+2 9.0640876E-2 -3.0028487E+4 -1.9888477E+2 1.245457E+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 -5.210 delta_h 43.313 #kJ/mol #97bsho/sas -analytic 1.0031917E+2 1.6446281E-2 -5.9122732E+3 -3.6843066E+1 5.0064359E+4 #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 -18.155 delta_h 72.918 #kJ/mol #97bsho/sas -analytic 2.4094706E+2 3.7064053E-2 -1.8701958E+4 -8.839972E+1 1.0057097E+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 -10.304 delta_h 51.185 #kJ/mol #97bsho/sas -analytic 2.0564115E+2 3.5316098E-2 -1.1430037E+4 -7.7304802E+1 2.7978288E+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 -36.480 delta_h 170.532 #kJ/mol #97bsho/sas -analytic -3.5272956E+2 -6.1588589E-2 7.3245496E+3 1.2870494E+2 -7.4903473E+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 -33.011 delta_h 142.227 #kJ/mol #97bsho/sas -analytic -1.0830094E+3 -1.7714535E-1 5.2803562E+4 3.9125126E+2 -3.7704336E+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 -6.177 delta_h 73.411 #kJ/mol #97bsho/sas -analytic 1.4477018E+2 2.2167814E-2 -9.8257942E+3 -5.1251545E+1 1.9713067E+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 -6.214 delta_h 89.338 #kJ/mol #97asho/sas -analytic 1.8770925E+2 3.0762416E-2 -9.191893E+3 -6.8514039E+1 -2.4283861E+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 -28.408 delta_h 89.131 #kJ/mol #97asho/sas -analytic -1.3114652E+3 -2.2432087E-1 5.8918005E+4 4.8012618E+2 -3.1747366E+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 -6.507 delta_h 34.502 #kJ/mol #97asho/sas -analytic 2.0303204E+2 3.1037934E-2 -1.3814423E+4 -7.3280231E+1 7.882834E+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 -2.256 delta_h 47.409 #kJ/mol #97asho/sas -analytic 1.2096157E+2 1.845495E-2 -6.4511051E+3 -4.3279191E+1 7.9506606E+2 #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 -5.628 delta_h 29.107 #kJ/mol #97asho/sas -analytic 1.2330351E+2 1.8146401E-2 -7.1321182E+3 -4.5523874E+1 1.9784396E+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 8.2488423E+2 1.3489634E-1 -4.6522628E+4 -2.9931533E+2 2.835956E+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 1.5878435E+3 2.5863557E-1 -8.7707501E+4 -5.776944E+2 5.2095498E+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 2.3001243E+3 3.7624264E-1 -1.238496E+5 -8.3980541E+2 7.1622904E+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 2.1638442E+3 3.5055953E-1 -1.1343596E+5 -7.9234149E+2 6.3757397E+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 7.4106225E+2 1.2046266E-1 -3.7100486E+4 -2.7321439E+2 1.9240136E+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 9.1795409E+2 1.4835747E-1 -5.1674345E+4 -3.308834E+2 3.1010883E+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 1.7534876E+3 2.8169934E-1 -9.6314159E+4 -6.3465987E+2 5.7421677E+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 2.5629877E+3 4.114338E-1 -1.3704775E+5 -9.3138904E+2 8.000081E+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 2.5622312E+3 4.0508844E-1 -1.3402564E+5 -9.3263429E+2 7.8047796E+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 8.5853809E+2 1.370498E-1 -4.8983311E+4 -3.1106042E+2 3.1875313E+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 8.6528139E+2 1.3862051E-1 -4.9643048E+4 -3.1266004E+2 3.1613912E+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 7.8981467E+2 1.2529386E-1 -4.4290871E+4 -2.87586E+2 2.9660968E+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 -15.585 delta_h 142.704 #kJ/mol #95haa/sho -analytic 2.0861033E+2 3.3977007E-2 -1.483219E+4 -7.5048398E+1 9.9930406E+4 #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 -32.501 delta_h 247.846 #kJ/mol #95haa/sho -analytic -2.0532378E+2 -3.6413396E-2 2.9680257E+3 7.6478357E+1 -1.3792715E+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 -23.705 delta_h 210.986 #kJ/mol #95haa/sho -analytic 2.4276523E+2 3.5582437E-2 -1.7020496E+4 -8.7428351E+1 -3.2501542E+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 -7.449 delta_h 77.175 #kJ/mol #95haa/sho -analytic 1.5766009E+2 2.4335116E-2 -1.1632886E+4 -5.5626954E+1 3.8205078E+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 1.6441652E+3 2.605671E-1 -8.9159178E+4 -5.9652084E+2 5.0711413E+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 -16.403 delta_h 144.876 #kJ/mol #97asho/sas -analytic 1.7383177E+2 2.839874E-2 -1.2141049E+4 -6.3107802E+1 -1.6216002E+5 #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 -36.471 delta_h 267.261 #kJ/mol #97asho/sas -analytic -2.2299951E+2 -3.9318553E-2 3.5552163E+3 8.2320621E+1 -1.5440345E+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 -7.680 delta_h 76.375 #kJ/mol #97asho/sas -analytic 1.2386246E+2 1.8873335E-2 -8.8238344E+3 -4.4022432E+1 1.2057058E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000H2AsO4- + 1.000Zn+2 = ZnAsO4- + 2.000H+ -llnl_gamma 3.6 log_k -11.060 delta_h 84.463 #kJ/mol #Internal calculation -analytic 2.6280073E+2 3.475728E-2 -1.4939568E+4 -9.5458814E+1 1.8580958E+5 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 1.000Cl- + 1.000Zn+2 = ZnCl+ -llnl_gamma 4.1 log_k 0.211 delta_h 43.294 #kJ/mol #97sve/sho -analytic 9.1361445E+2 1.4753515E-1 -5.2117963E+4 -3.2997759E+2 3.0154093E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 2.000Cl- + 1.000Zn+2 = ZnCl2 -llnl_gamma 3.4 log_k 0.276 delta_h 31.078 #kJ/mol #97sve/sho -analytic 1.6355779E+3 2.6390977E-1 -9.1712261E+4 -5.9323753E+2 5.4709533E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 3.000Cl- + 1.000Zn+2 = ZnCl3- -llnl_gamma 3.6 log_k 0.018 delta_h 13.142 #kJ/mol #97sve/sho -analytic 1.6985673E+3 2.7606491E-1 -9.5952687E+4 -6.1670256E+2 5.9522014E+6 #References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho; 1.000F- + 1.000Zn+2 = ZnF+ -llnl_gamma 4.1 log_k 1.190 delta_h 2.798 #kJ/mol #97sve/sho -analytic 8.9752817E+2 1.4255028E-1 -5.0262611E+4 -3.2528594E+2 3.0793424E+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 0.526 delta_h -5.620 #kJ/mol #Internal calculation -analytic 8.396717E+2 1.3021386E-1 -4.7011903E+4 -3.0428997E+2 2.9028133E+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 -3.946 delta_h 7.927 #kJ/mol #Internal calculation -analytic -4.3975368E+2 -5.7657456E-2 -2.1643265E+4 1.8509704E+2 6.0073968E+6 #References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc; 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 -17.927 delta_h 111.664 #kJ/mol #97asho/sas -analytic 2.7777296E+2 4.3494159E-2 -1.9035993E+4 -1.0159021E+2 5.8289371E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Zn+2 + 2.000H2O = ZnO2-2 + 4.000H+ -llnl_gamma 4.7 log_k -40.509 delta_h 172.305 #kJ/mol #97asho/sas -analytic -9.7295827E+2 -1.6187649E-1 4.2449993E+4 3.5246165E+2 -3.0054003E+6 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 1.000Zn+2 + 1.000H2O = ZnOH+ + 1.000H+ -llnl_gamma 4.1 log_k -7.834 delta_h 75.257 #kJ/mol #97asho/sas -analytic 2.3584815E+2 3.4874931E-2 -1.6156931E+4 -8.3813428E+1 6.6682543E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; 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; 1.000ZrO+2 + 2.000H+ = Zr+4 + 1.000H2O -llnl_gamma 11.0 log_k 1.721 delta_h -59.949 #kJ/mol #97asho/sas -analytic -2.4476261E+2 -4.0474856E-2 1.3976089E+4 8.7639781E+1 -4.6082932E+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 -7.973 delta_h 36.757 #kJ/mol #97asho/sas -analytic 3.9674511E+2 6.5971072E-2 -2.4251064E+4 -1.4502298E+2 1.4045832E+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 5.0 log_k 2.052 delta_h -34.419 #kJ/mol #97asho/sas -analytic -4.2410573E+1 -8.4292559E-3 8.5854081E+2 1.6257399E+1 3.4390503E+5 #References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas; PHASES Fix_H+ # A tips to keep constant the pH during calculation by adding or removing acid or base / Necessary when you know the final pH of the sample H+ = H+ log_k 0.0 2K2SO4.Fe2(SO4)3:14H2O K4Fe2(SO4)5:14H2O = 2.000Fe+3 + 4.000K+ + 5.000SO4-2 + 14.000H2O log_k -13.051 #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 5.630 #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 -641.936 #kJ/mol #78hel/del -analytic -8.8668683E+2 -1.3249431E-1 3.795628E+4 3.2177022E+2 -2.9677377E+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 5.710 #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 0.912 delta_h 43.313 #kJ/mol #95rob/hem -analytic -7.406299E+2 -1.212207E-1 3.8435485E+4 2.6988839E+2 -1.6934447E+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 49.419 delta_h -269.228 #kJ/mol #10abla/bou -analytic -8.9495681E+2 -1.4090315E-1 5.8099033E+4 3.2930349E+2 -2.072877E+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 -4.138 delta_h -34.108 #kJ/mol #Internal calculation -analytic -3.8808912E+2 -5.9880852E-2 2.1889053E+4 1.3861309E+2 -1.2978849E+6 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; Ag2O Ag2O + 2.000H+ = 2.000Ag+ + 1.000H2O log_k 12.569 delta_h -43.307 #kJ/mol #Internal calculation -analytic -2.6503701E+2 -3.0442903E-2 1.7771454E+4 9.5717874E+1 -8.685479E+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 46.084 delta_h -312.880 #kJ/mol #Internal calculation -analytic -9.9888741E+2 -1.6370527E-1 6.532027E+4 3.6454937E+2 -2.4319821E+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 149.922 delta_h -958.045 #kJ/mol #By convention -analytic -5.9569614E+2 -9.7790495E-2 8.196932E+4 2.1101875E+2 -1.9826646E+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 -892.939 #kJ/mol #Internal calculation -analytic -9.5453269E+2 -1.5284532E-1 5.2895279E+4 3.4627472E+2 -3.035299E+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 6.173 delta_h -29.451 #kJ/mol #98cha -analytic -3.4667488E+2 -5.7187538E-2 1.8994912E+4 1.2780121E+2 -8.9311262E+5 #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 2.996 delta_h -84.003 #kJ/mol #95rob/hem -analytic -7.9517148E+2 -1.3560657E-1 4.136093E+4 2.9057117E+2 -1.7001681E+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 -2.536379E+3 -4.1169235E-1 1.3845573E+5 9.1690139E+2 -8.1243733E+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 42.164 delta_h -465.683 #kJ/mol #95rob/hem -analytic -2.0747602E+3 -3.4400542E-1 1.2649788E+5 7.4967969E+2 -5.3176103E+6 #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 -0.531 delta_h -230.738 #kJ/mol #Internal calculation -analytic -3.9372227E+3 -6.4645916E-1 2.2226074E+5 1.4239813E+3 -1.2407909E+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 2.332 delta_h -257.759 #kJ/mol #Internal calculation -analytic -4.202779E+3 -6.862295E-1 2.3740304E+5 1.5199984E+3 -1.3127781E+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 69.386 delta_h -766.388 #kJ/mol #05vid/par -analytic -3.2797388E+3 -5.2672257E-1 2.0325343E+5 1.1802283E+3 -8.5289928E+6 #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 57.018 delta_h -686.828 #kJ/mol #05vid/par -analytic -3.1787916E+3 -5.1645017E-1 1.9379716E+5 1.1448985E+3 -8.2836278E+6 #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 -2.700 delta_h 13.616 #kJ/mol #00gun/arn -analytic -7.5442279E+1 -1.3954755E-2 2.382603E+3 2.8303328E+1 -9.9813899E+4 #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 6.644 delta_h -102.690 #kJ/mol #04neu/hov -analytic -7.3535625E+2 -1.2074917E-1 4.0614895E+4 2.6709108E+2 -1.6996879E+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 16.200 delta_h -246.943 #kJ/mol #Internal calculation -analytic -9.4491085E+2 -1.6161079E-1 5.8544159E+4 3.3942223E+2 -2.3949134E+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 33.771 delta_h -137.101 #kJ/mol #Internal calculation -analytic -1.7750635E+3 -3.0215418E-1 1.0225104E+5 6.4762814E+2 -4.1374034E+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 -1.6531981E+3 -2.6395827E-1 9.1052323E+4 5.9877998E+2 -5.5988089E+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 -1.6180783E+3 -2.6204431E-1 8.9585348E+4 5.8663288E+2 -5.3589324E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem; Annite KFe3(AlSi3)O10(OH)2 + 10.000H+ = 1.000Al+3 + 3.000Fe+2 + 1.000K+ + 3.000H4SiO4 log_k 32.755 delta_h -313.153 #kJ/mol #92cir/nav -analytic -1.6418531E+3 -2.7064069E-1 9.6776711E+4 5.9663958E+2 -4.0567843E+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 24.224 delta_h -308.188 #kJ/mol #95rob/hem -analytic -1.2541786E+3 -2.1480513E-1 7.6226681E+4 4.5313217E+2 -3.0636629E+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 3.939 delta_h 13.990 #kJ/mol #87gar/par -analytic -1.5031522E+3 -2.192157E-1 8.01557E+4 5.4683953E+2 -4.4012858E+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 73.751 delta_h -601.914 #kJ/mol #95rob/hem -analytic -2.8758921E+3 -4.6730293E-1 1.6983684E+5 1.0481122E+3 -6.5916202E+6 #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 499.883 delta_h -3822.754 #kJ/mol #98hol/pow -analytic -1.7937737E+4 -2.8167781E+0 1.0790974E+6 6.5213513E+3 -4.2537913E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 98hol/pow; S°: 98hol/pow; Cp: 98hol/pow; V°: 98hol/pow; Aplowite CoSO4:H2O = 1.000Co+2 + 1.000SO4-2 + 1.000H2O log_k -1.050 delta_h -52.050 #kJ/mol #74nau/ryz -analytic -1.6977806E+3 -2.6156887E-1 9.5472539E+4 6.1264708E+2 -5.4629265E+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 -8.5903123E+2 -1.3909109E-1 4.7686355E+4 3.1246945E+2 -2.7210775E+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 -1.4896046E+3 -2.3691432E-1 8.216249E+4 5.4168296E+2 -5.1151218E+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 -5.021 delta_h 34.742 #kJ/mol #98pok/sch -analytic -1.9377128E+2 -2.6476754E-2 9.1208986E+3 6.9974681E+1 -6.3070701E+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 -1.972 #delta_h 0.000 #kJ/mol -analytic -1.9190781E+2 -2.5696884E-2 1.0260385E+4 6.8827626E+1 -6.3342241E+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 10.139 #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 9.343 #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 9.620 #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 7.107 #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 9.925 #References = LogK/DGf: 93sch/got; #References = LogK/DGf: 93sch/got; V°: Default value; Arsenolite As2O3 + 3.000H2O = 2.000H2AsO3- + 2.000H+ log_k -19.860 delta_h -292.780 #kJ/mol #Internal calculation -analytic -5.6102814E+2 -1.0192874E-1 2.0917516E+4 2.0807283E+2 -1.1967234E+6 #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 -92.127 delta_h -1296.440 #kJ/mol #Internal calculation -analytic -6.0251263E+2 -1.0058457E-1 2.3258322E+3 2.2199275E+2 -1.4874118E+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 20.136 delta_h -132.468 #kJ/mol #73hem/rob -analytic -1.1867161E+3 -1.8267755E-1 6.9943006E+4 4.3083069E+2 -3.4966396E+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 -81.937 delta_h -465.737 #kJ/mol #Internal calculation -analytic 2.5055717E+2 3.970253E-2 -4.134511E+4 -8.8495171E+1 1.1837015E+6 #References = S°: 73hul/des; Cp: 73hul/des; V°: 96pok/gou; As2O5 As2O5 + 3.000H2O = 2.000H2AsO4- + 2.000H+ log_k 2.242 delta_h -36.939 #kJ/mol #01gas/aza -analytic -1.1057586E+3 -1.8607046E-1 6.2340868E+4 4.0250341E+2 -3.6964597E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 01gas/aza; S°: 01gas/aza; Cp: 01gas/aza; V°: 84pan/stu; Au(element) Au + 0.750O2 + 3.000H+ = 1.000Au+3 + 1.500H2O log_k -11.448 delta_h 49.202 #kJ/mol #Internal calculation -analytic -5.9281352E+2 -9.3575653E-2 3.2164366E+4 2.1116629E+2 -1.8784565E+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 10.273 #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 6.880 #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 3.747 delta_h -83.679 #kJ/mol #Internal calculation -analytic -2.1448754E+3 -3.4196657E-1 1.1800361E+5 7.7882015E+2 -6.4310505E+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 -1.628273E+2 -2.107058E-2 8.2790335E+3 5.9514336E+1 -5.4057728E+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 5.569 delta_h -13.662 #kJ/mol #89cox/wag -analytic -3.4280383E+2 -4.5698084E-2 2.1548261E+4 1.2316096E+2 -1.336014E+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 -6.040 #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 -9.1214193E+2 -1.4086019E-1 5.0076197E+4 3.274915E+2 -2.8075543E+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 -1.5795476E+3 -2.5599275E-1 8.5701092E+4 5.7308831E+2 -5.3061761E+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 -3.920 delta_h -17.358 #kJ/mol #Internal calculation -analytic -1.5729035E+3 -2.5188116E-1 8.755323E+4 5.6963784E+2 -5.2540419E+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 5.772 delta_h -207.636 #kJ/mol #15bla/vie -analytic -1.3355791E+3 -2.2568605E-1 7.4303954E+4 4.8279924E+2 -3.131931E+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 4.603 delta_h -189.103 #kJ/mol #15bla/vie -analytic -1.3190472E+3 -2.2258811E-1 7.2702972E+4 4.7730921E+2 -3.102583E+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 5.227 delta_h -208.816 #kJ/mol #15bla/vie -analytic -1.3521676E+3 -2.2765027E-1 7.525898E+4 4.8845306E+2 -3.1820933E+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 5.101 delta_h -197.721 #kJ/mol #15bla/vie -analytic -1.3386993E+3 -2.2463256E-1 7.4157253E+4 4.8394872E+2 -3.1512349E+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 7.581 delta_h -213.413 #kJ/mol #12gai/bla -analytic -1.3787656E+3 -2.3939016E-1 7.6094677E+4 5.0012905E+2 -3.1147421E+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 -1.0573784E+3 -1.7484921E-1 6.1600955E+4 3.8046739E+2 -3.3188486E+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 -32.150 delta_h -1345.463 #kJ/mol #Internal calculation -analytic -1.5831678E+3 -2.5536788E-1 7.8446309E+4 5.7537073E+2 -5.3044545E+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 27.914 delta_h -300.389 #kJ/mol #14bla/gai -analytic -1.4276745E+3 -2.2611664E-1 8.8218864E+4 5.1303234E+2 -3.7644318E+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 34.564 delta_h -376.684 #kJ/mol #15bla/vie -analytic -1.6002897E+3 -2.5384816E-1 1.0057852E+5 5.7464339E+2 -4.3309794E+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 28.806 delta_h -267.547 #kJ/mol #15bla/vie -analytic -1.4124955E+3 -2.2245289E-1 8.6891604E+4 5.085334E+2 -3.7462466E+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 -61.051 delta_h -3167.239 #kJ/mol #Internal calculation -analytic -2.8385187E+3 -4.707434E-1 1.3512197E+5 1.0358927E+3 -8.7675587E+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 -9.350 #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 -2.354 delta_h 11.840 #kJ/mol #74nau/ryz -analytic -1.5170859E+3 -2.3266408E-1 8.2917437E+4 5.5012875E+2 -4.9125493E+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 -16.373 delta_h 205.143 #kJ/mol #02hem/sea -analytic -6.6744363E+3 -9.6599887E-1 3.6113505E+5 2.4093244E+3 -2.0169302E+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 4.458 delta_h -8.710 #kJ/mol #74nau/ryz -analytic -1.4873588E+3 -2.2708702E-1 8.1366041E+4 5.4098252E+2 -4.6230067E+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 -2.351 #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 13.917 #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 7.623 delta_h -113.660 #kJ/mol #95rob/hem -analytic -4.3396543E+2 -7.2229552E-2 2.7350449E+4 1.5532539E+2 -1.1514377E+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 -3492.330 #kJ/mol #95rob/hem -analytic -3.659479E+3 -5.7956821E-1 1.6798561E+5 1.3295933E+3 -1.1434908E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 78hel/del,70pan/kin; V°: 95rob/hem; Bromellite BeO + 2.000H+ = 1.000Be+2 + 1.000H2O log_k 6.291 delta_h -59.205 #kJ/mol #89cox/wag -analytic -3.2291539E+2 -5.0116258E-2 1.9507644E+4 1.1655322E+2 -8.6081375E+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 17.109 delta_h -114.518 #kJ/mol #08bla -analytic -3.1427691E+2 -4.6777014E-2 2.206956E+4 1.1341328E+2 -8.2871799E+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 0.599 delta_h -7.375 #kJ/mol #Internal calculation -analytic -8.5811366E+2 -1.4463428E-1 4.5245431E+4 3.1462289E+2 -2.5274181E+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 12.504 delta_h -106.030 #kJ/mol #90hem -analytic -3.2351855E+2 -5.0846585E-2 2.2284798E+4 1.1595365E+2 -9.317096E+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 64.165 delta_h -391.966 #kJ/mol #By convention -analytic -7.6325021E+2 -1.2547556E-1 6.408155E+4 2.7556713E+2 -2.8426018E+6 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; C2AH8 Ca2Al2O5:8H2O + 10.000H+ = 2.000Al+3 + 2.000Ca+2 + 13.000H2O log_k 59.706 delta_h -436.130 #kJ/mol #06bla/las -analytic -1.3381438E+3 -1.8057991E-1 8.8514659E+4 4.800024E+2 -2.9267857E+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 35.538 delta_h -198.104 #kJ/mol #10abla/bou -analytic -5.4007688E+2 -8.5574374E-2 3.6690287E+4 1.9876611E+2 -1.2235594E+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 80.316 delta_h -584.260 #kJ/mol #99sch/nav -analytic -1.518827E+3 -2.4785722E-1 1.0537657E+5 5.5063889E+2 -3.8146768E+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 72.366 delta_h -311.607 #kJ/mol #85bab/mat -analytic -1.5057927E+3 -2.4127496E-1 1.009448E+5 5.4694503E+2 -3.7206553E+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 103.644 delta_h -647.400 #kJ/mol #76hou/ste -analytic -1.547187E+3 -2.3711762E-1 1.1098856E+5 5.6250523E+2 -3.7879875E+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 95.115 delta_h -371.442 #kJ/mol #85bab/mat -analytic -1.6380053E+3 -2.5734869E-1 1.0933342E+5 6.0001352E+2 -3.6936298E+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 -3.4331328E+2 -5.4813886E-2 6.1858785E+4 1.2329396E+2 -1.1609874E+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 16.769 #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 37.088 #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 11.809 #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 10.114 #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 31.610 #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 -14.312 #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 7.949 delta_h -44.790 #kJ/mol #87gar/par -analytic -1.513717E+3 -2.3596477E-1 8.4379603E+4 5.5049295E+2 -4.724728E+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 5.353 delta_h -11.310 #kJ/mol #87gar/par -analytic -1.5164797E+3 -2.2891709E-1 8.2477243E+4 5.5165864E+2 -4.585891E+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 7.848 delta_h -52.160 #kJ/mol #87gar/par -analytic -1.5340511E+3 -2.4305421E-1 8.5978677E+4 5.5795149E+2 -4.8556422E+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 -1.6003913E+3 -2.5327361E-1 8.8679697E+4 5.7948673E+2 -5.2074222E+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 2.020 #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 -8.5010157E+2 -1.3947146E-1 4.6881027E+4 3.0964897E+2 -2.6591521E+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 -8.133 #kJ/mol #89cox/wag -analytic -1.4752372E+3 -2.4016758E-1 7.5072302E+4 5.3775896E+2 -4.7508354E+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 13.357 delta_h -15.889 #kJ/mol #Internal calculation -analytic -8.1150653E+2 -1.1714552E-1 4.5311586E+4 2.9716423E+2 -2.4445099E+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 4.328 delta_h 9.340 #kJ/mol #74nau/ryz -analytic -2.2749456E+3 -3.3777677E-1 1.2302546E+5 8.2655741E+2 -6.9256834E+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 -45.458 delta_h 276.957 #kJ/mol #89cox/wag -analytic -1.7331081E+2 -2.6966618E-2 -6.0764942E+3 6.4780312E+1 -3.5741422E+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 -27.182 delta_h -1397.082 #kJ/mol #95rob/hem -analytic -1.6114899E+3 -2.6089444E-1 8.1620674E+4 5.84998E+2 -5.26276E+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 56.613 delta_h -355.683 #kJ/mol #By convention -analytic -3.7605104E+2 -5.7701274E-2 3.9271634E+4 1.3428955E+2 -1.2570585E+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 13.859 delta_h -87.730 #kJ/mol #Internal calculation -analytic -2.6341404E+2 -3.928067E-2 1.798239E+4 9.5479833E+1 -6.7442691E+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 -2.2188303E+3 -3.4072698E-1 1.2852167E+5 7.9746224E+2 -6.662007E+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 19.842 #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 -1.5398355E+3 -2.5000543E-1 8.4903441E+4 5.5986018E+2 -5.0123509E+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 -1.900 delta_h 7.285 #kJ/mol #82wag/eva -analytic -1.5455863E+3 -2.3680873E-1 8.3342855E+4 5.6115591E+2 -4.7812346E+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 -1.692 delta_h -7.470 #kJ/mol #82wag/eva -analytic -1.5542041E+3 -2.4384252E-1 8.4786317E+4 5.6422392E+2 -4.9155105E+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 7.789 delta_h -62.194 #kJ/mol #77bar/kna -analytic -3.8663006E+2 -6.2897758E-2 2.204666E+4 1.4122595E+2 -9.0909826E+5 #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 -1.6519358E+3 -2.6396523E-1 9.3414686E+4 5.9762838E+2 -5.4781853E+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 -1.726 delta_h -19.126 #kJ/mol #89cox/wag -analytic -1.615595E+3 -2.5938745E-1 8.8741909E+4 5.8676356E+2 -5.1864875E+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 10.202 delta_h -124.261 #kJ/mol #02par/vid -analytic -1.1286899E+3 -1.926429E-1 5.9153366E+4 4.1424004E+2 -2.4075349E+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 6.432 delta_h -103.862 #kJ/mol #02par/vid -analytic -1.100626E+3 -1.8968446E-1 5.65505E+4 4.0420595E+2 -2.3325867E+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 -1.6382672E+3 -2.613432E-1 9.0848416E+4 5.9292511E+2 -5.5376131E+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 -8.8003794E+2 -1.4186343E-1 4.7401255E+4 3.2029804E+2 -2.8596729E+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 11.517 delta_h -209.797 #kJ/mol #08bla -analytic -1.2464746E+3 -2.1259542E-1 6.8500775E+4 4.531977E+2 -2.647602E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 08bla; S°: 09bla; Cp: 10vie; V°: 97coo/alb; Chalcedony SiO2 + 2.000H2O = 1.000H4SiO4 log_k -3.453 delta_h 19.574 #kJ/mol #78hel/del -analytic -7.3377874E+1 -1.5148816E-2 1.4875718E+3 2.8206423E+1 -3.0469035E+4 #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 -955.598 #kJ/mol #Internal calculation -analytic -8.6799862E+2 -1.3644873E-1 3.6090929E+4 3.1664721E+2 -2.6589476E+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 -1.6722243E+3 -2.6806561E-1 9.5237171E+4 6.0518642E+2 -5.496615E+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 -1600.068 #kJ/mol #95rob/hem -analytic -1.9243258E+3 -3.0811621E-1 9.6811708E+4 6.9764039E+2 -6.1131044E+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 47.579 delta_h -504.518 #kJ/mol #01vid/par -analytic -2.6210061E+3 -4.2497094E-1 1.5576281E+5 9.4858884E+2 -6.610337E+6 #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 -3.7341248E+3 -6.1240037E-1 2.0792436E+5 1.3570982E+3 -1.1868242E+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 -7.3805491E+2 -1.1588653E-1 3.759537E+4 2.6854718E+2 -2.4659102E+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 61.315 delta_h -612.127 #kJ/mol #14bla/gai -analytic -2.9118253E+3 -4.6718919E-1 1.7751461E+5 1.0510111E+3 -7.432582E+6 #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 21.777 delta_h -292.184 #kJ/mol #87woo/gar -analytic -1.213842E+3 -2.031818E-1 7.455402E+4 4.3686995E+2 -3.0991352E+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 -1.5873891E+3 -2.5606716E-1 9.4920821E+4 5.7613443E+2 -5.1746834E+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 15.121 delta_h -98.470 #kJ/mol #95rob/hem -analytic -1.188199E+3 -1.9125998E-1 7.34955E+4 4.2430775E+2 -3.2075483E+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 33.170 delta_h -249.218 #kJ/mol #04eva -analytic -1.1167594E+3 -1.7467297E-1 6.800348E+4 4.0577219E+2 -2.6786499E+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 -39.006 delta_h -661.517 #kJ/mol #78hel/del -analytic -9.1509124E+2 -1.4584128E-1 3.8659923E+4 3.323669E+2 -2.8906437E+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 -9.1312982E+2 -1.4554513E-1 3.8723371E+4 3.3155065E+2 -2.8779555E+6 #References = LogK/DGf: Internal calculation; Cp: 87pan/mah; V°: Default value; Claudetite As2O3 + 3.000H2O = 2.000H2AsO3- + 2.000H+ log_k -19.926 delta_h -294.176 #kJ/mol #Internal calculation -analytic -5.5963281E+2 -1.0154829E-1 2.0924644E+4 2.0741682E+2 -1.1945366E+6 #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 61.682 delta_h -600.773 #kJ/mol #05vid/par -analytic -2.7499165E+3 -4.3731761E-1 1.6729236E+5 9.9346322E+2 -6.8782833E+6 #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 10.099 #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 -2.107 delta_h -69.841 #kJ/mol #09bla -analytic -8.8892191E+2 -1.5134613E-1 4.3221828E+4 3.2542243E+2 -1.6236035E+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 -1.162 delta_h -60.469 #kJ/mol #09bla -analytic -8.5037461E+2 -1.4523594E-1 4.1442259E+4 3.1185182E+2 -1.6125516E+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 -0.134 delta_h -62.203 #kJ/mol #09bla -analytic -9.0182875E+2 -1.4840199E-1 4.4213705E+4 3.3009383E+2 -1.7021357E+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 41.886 delta_h -480.273 #kJ/mol #04got -analytic -2.0148592E+3 -3.4374508E-1 1.220382E+5 7.2958916E+2 -4.9251982E+6 #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 52.732 delta_h -337.363 #kJ/mol #By convention -analytic -4.0115316E+2 -6.2717054E-2 3.9584488E+4 1.4340947E+2 -1.3369355E+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 0.769 delta_h 38.563 #kJ/mol #74nau/ryz -analytic -1.172307E+3 -1.8959065E-1 6.6969756E+4 4.2042598E+2 -3.1407431E+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 13.798 #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 13.203 delta_h -93.560 #kJ/mol #98ply/zha -analytic -3.2548549E+2 -4.3882938E-2 2.1554613E+4 1.1664714E+2 -8.1411583E+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 12.204 delta_h -88.460 #kJ/mol #98ply/zha -analytic -3.2559061E+2 -4.3882938E-2 2.1288222E+4 1.1664714E+2 -8.1411583E+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 7.353 delta_h -99.394 #kJ/mol #82wag/eva -analytic -6.9992699E+2 -1.1052198E-1 4.0453716E+4 2.5269536E+2 -1.8426353E+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 -1.5576924E+3 -2.5385132E-1 8.8980097E+4 5.6601272E+2 -5.0802554E+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 -2.542 delta_h 8.060 #kJ/mol #97smi/mar -analytic -1.5511741E+3 -2.2451571E-1 8.2789246E+4 5.6132179E+2 -4.5388176E+6 #References = LogK/DGf: 97smi/mar; DHf/DHr: 97smi/mar; S°: Internal calculation; V°: 94pan; Coesite(alpha) SiO2 + 2.000H2O = 1.000H4SiO4 log_k -2.913 delta_h 16.779 #kJ/mol #78hel/del -analytic -7.4881786E+1 -1.5356336E-2 1.7099772E+3 2.8770707E+1 -3.3717148E+4 #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 -1.6903491E+3 -2.7132265E-1 9.4540309E+4 6.1180462E+2 -5.4320174E+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 1.290 #References = LogK/DGf: 01gas/aza; #References = LogK/DGf: 01gas/aza; V°: 00bla/bid; CoO CoO + 2.000H+ = 1.000Co+2 + 1.000H2O log_k 13.774 delta_h -105.530 #kJ/mol #95rob/hem -analytic -3.0331783E+2 -4.7767985E-2 2.1056697E+4 1.0918952E+2 -8.4211862E+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 -546.853 #kJ/mol #Internal calculation -analytic -9.6573285E+2 -1.5547846E-1 3.5270369E+4 3.5048183E+2 -3.0565926E+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 -16.592 delta_h 189.226 #kJ/mol #02hem/sea -analytic -1.0400833E+4 -1.5545629E+0 5.7432844E+5 3.7516742E+3 -3.2165823E+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 -8.988 delta_h 87.473 #kJ/mol #02hem/sea -analytic -5.0457378E+3 -7.601657E-1 2.7965171E+5 1.819718E+3 -1.5764089E+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 49.408 delta_h -660.411 #kJ/mol #95rob/hem -analytic -2.8575817E+3 -4.7701981E-1 1.7292169E+5 1.0300555E+3 -7.0735857E+6 #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 51.657 delta_h -669.993 #kJ/mol #78hel/del -analytic -2.8158585E+3 -4.7070958E-1 1.7098236E+5 1.0152376E+3 -6.9122658E+6 #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 -1.951 #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 15.015 #References = LogK/DGf: 84nri; #References = LogK/DGf: 84nri; V°: 63wyc; Corundum(alpha) Al2O3 + 6.000H+ = 2.000Al+3 + 3.000H2O log_k 18.297 delta_h -258.590 #kJ/mol #89cox/wag -analytic -8.8185832E+2 -1.4783302E-1 5.7250215E+4 3.1491339E+2 -2.4018418E+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 21.518 delta_h -277.390 #kJ/mol #89cox/wag -analytic -8.8325049E+2 -1.4837185E-1 5.8287666E+4 3.1545881E+2 -2.4067195E+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 -856.933 #kJ/mol #74nau/ryz -analytic -9.8082433E+2 -1.5438094E-1 5.2331798E+4 3.5505821E+2 -3.082632E+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 -1.6651626E+3 -2.6798761E-1 9.5301217E+4 6.0234347E+2 -5.5139714E+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 -1.5285807E+3 -2.4847644E-1 8.279877E+4 5.5665154E+2 -5.0890703E+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 -771.914 #kJ/mol #Internal calculation -analytic -9.6591009E+2 -1.5396767E-1 4.7082843E+4 3.5005416E+2 -3.0532461E+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 70.926 delta_h -574.970 #kJ/mol #By convention -analytic -3.9811906E+2 -6.2085731E-2 4.4690912E+4 1.4249723E+2 -1.3279421E+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 10.999 delta_h -212.952 #kJ/mol #Internal calculation -analytic -3.3948282E+2 -4.6109787E-2 2.1399517E+4 1.2208472E+2 -8.5650556E+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 9.349 delta_h -30.126 #kJ/mol #Internal calculation -analytic -4.8037286E+2 -6.9149432E-2 2.9750107E+4 1.7114769E+2 -1.1500436E+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 -107.370 #kJ/mol #91kna/kub -analytic -4.983517E+3 -8.0844343E-1 2.8588851E+5 1.8002566E+3 -1.6406042E+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 -16.703 delta_h -2631.168 #kJ/mol #84pan/stu -analytic -2.569488E+3 -4.131322E-1 1.383505E+5 9.3181265E+2 -8.3363903E+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 21.043 #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 -241.066 #kJ/mol #98bal/nor -analytic -1.5567655E+3 -2.530602E-1 9.0179283E+4 5.6558406E+2 -5.0672666E+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 -112.165 #kJ/mol #98bal/nor -analytic -2.1917886E+3 -3.5673616E-1 1.1696505E+5 7.9690933E+2 -7.2252838E+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 -3.160 delta_h 16.496 #kJ/mol #04fab/sax -analytic -7.6499595E+1 -1.5230412E-2 1.8688606E+3 2.9150764E+1 -4.6197887E+4 #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 -3.099 #delta_h 0.000 #kJ/mol -analytic -8.2954599E+1 -1.5481501E-2 2.6263322E+3 3.1150006E+1 -1.2588219E+5 #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 0.441 delta_h 10.797 #kJ/mol #04chi -analytic -3.9544036E+2 -6.5853987E-2 2.3130555E+4 1.4119104E+2 -1.016237E+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 -3.017 delta_h -10.070 #kJ/mol #98bal/nor -analytic -1.2885322E+3 -2.1285233E-1 7.1785289E+4 4.6789964E+2 -4.4072946E+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 -1.570868E+3 -2.5330672E-1 8.465467E+4 5.6987672E+2 -5.3526745E+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 98.744 delta_h -644.313 #kJ/mol #15bla/vie -analytic -1.6435076E+3 -2.5592947E-1 1.2183138E+5 5.8971886E+2 -4.3813826E+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 -1045.139 #kJ/mol #84pan/stu -analytic -9.6518362E+2 -1.5487928E-1 5.4210689E+4 3.4989598E+2 -3.0741659E+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 31.600 delta_h -214.586 #kJ/mol #By convention -analytic -4.0433895E+2 -6.2132696E-2 3.3258027E+4 1.4458197E+2 -1.3194359E+6 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem; 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 -2.2061898E+3 -3.5165819E-1 1.2563737E+5 7.9557351E+2 -6.821496E+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 3.979 delta_h -142.084 #kJ/mol #Internal calculation -analytic -2.1761185E+3 -3.4230804E-1 1.2324311E+5 7.8540337E+2 -6.6343056E+6 #References = LogK/DGf: 84vie/tar; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: Default value; Cummingtonite Mg7Si8O22(OH)2 + 14.000H+ + 8.000H2O = 7.000Mg+2 + 8.000H4SiO4 log_k 76.119 delta_h -615.124 #kJ/mol #98hol/pow -analytic -2.8856764E+3 -4.6647181E-1 1.71165E+5 1.0512319E+3 -6.615536E+6 #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 -1.472 delta_h -264.638 #kJ/mol #95rob/hem -analytic -1.8162588E+2 -2.4802858E-2 7.4534047E+3 6.7250863E+1 -3.4290774E+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 4.324 delta_h -76.330 #kJ/mol #76fer/stu -analytic -1.1738544E+3 -1.847184E-1 6.6671294E+4 4.2438366E+2 -3.5978925E+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 6.864 delta_h -108.760 #kJ/mol #95rob/hem -analytic -4.3752143E+2 -7.1234798E-2 2.7576638E+4 1.5621774E+2 -1.1929039E+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 9.385 delta_h -185.218 #kJ/mol #06bla/pia -analytic -9.8833761E+2 -1.6981612E-1 5.5980146E+4 3.5799436E+2 -2.2435754E+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 21.734 delta_h -158.241 #kJ/mol #Internal calculation -analytic -7.3256027E+2 -1.2200954E-1 4.3264387E+4 2.6840491E+2 -1.6523537E+6 #References = LogK/DGf: 78hel/del,92ajoh; DHf/DHr: Internal calculation; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh; 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 -1.7923634E+3 -2.8963524E-1 9.9594493E+4 6.5114488E+2 -5.6008392E+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 -1.7814513E+3 -2.8852827E-1 9.9264201E+4 6.4714323E+2 -5.5534198E+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 -1.7923812E+3 -2.8963813E-1 9.9363286E+4 6.5115141E+2 -5.6008892E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del,92ajoh; S°: 78hel/del,92ajoh; Cp: 95rob/hem; V°: 78hel/del,92ajoh; Duftite PbCuAsO4(OH) + 3.000H+ = 1.000H2AsO4- + 1.000Cu+2 + 1.000Pb+2 + 1.000H2O log_k -1.975 #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 46.297 delta_h -518.108 #kJ/mol #98hol/pow -analytic -2.2626622E+3 -3.6781449E-1 1.3974058E+5 8.1502842E+2 -5.9384003E+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 81.914 delta_h -695.630 #kJ/mol #97got -analytic -3.2738397E+3 -5.2963683E-1 1.9601616E+5 1.1899835E+3 -7.8504554E+6 #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 11.840 delta_h -95.598 #kJ/mol #78hel/del -analytic -4.0596458E+2 -6.5274481E-2 2.4728317E+4 1.4755347E+2 -9.5862765E+5 #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 32.213 delta_h -319.731 #kJ/mol #04got -analytic -1.9683601E+3 -3.3537675E-1 1.1609664E+5 7.1303625E+2 -4.7279254E+6 #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 -1.882 delta_h 10.990 #kJ/mol #Internal calculation -analytic -1.5513219E+3 -2.348529E-1 8.4843897E+4 5.6216047E+2 -4.9901416E+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 -5.502 delta_h -1601.564 #kJ/mol #14las/pia -analytic -1.7758919E+3 -2.7870101E-1 9.5924056E+4 6.4515997E+2 -5.7471571E+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 7.752 delta_h -27.640 #kJ/mol #04chi -analytic -9.2143736E+2 -1.4829777E-1 5.6819072E+4 3.2801756E+2 -2.5624398E+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 56.958 delta_h -379.834 #kJ/mol #63ber/new -analytic -5.8739201E+3 -9.2601596E-1 3.359888E+5 2.1355777E+3 -1.816004E+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 60.228 delta_h -503.048 #kJ/mol #00per/pal -analytic -5.6621419E+3 -8.8153945E-1 3.3100874E+5 2.04981E+3 -1.7523479E+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 54.538 delta_h -146.584 #kJ/mol #Internal calculation -analytic -5.8142211E+3 -9.0312797E-1 3.330148E+5 2.1116997E+3 -1.8149699E+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 -2.1864644E+3 -3.514523E-1 1.2767779E+5 7.9006441E+2 -6.767132E+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 19.620 #References = LogK/DGf: 84nri; #References = LogK/DGf: 84nri; V°: 63wyc; Fayalite Fe2SiO4 + 4.000H+ = 2.000Fe+2 + 1.000H4SiO4 log_k 19.024 delta_h -159.491 #kJ/mol #Internal calculation -analytic -6.8762518E+2 -1.1070573E-1 4.2630586E+4 2.4917955E+2 -1.7694972E+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 58.855 delta_h -369.763 #kJ/mol #By convention -analytic -4.014146E+2 -6.2766612E-2 4.1333856E+4 1.43645E+2 -1.3415415E+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 12.849 delta_h -88.120 #kJ/mol #Internal calculation -analytic -2.9086021E+2 -4.4441353E-2 1.9654273E+4 1.0510539E+2 -8.0336702E+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 -9307.558 #kJ/mol #05wal/pel -analytic -1.0247541E+4 -1.6442491E+0 5.5479559E+5 3.713517E+3 -3.3003255E+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 -10183.030 #kJ/mol #05wal/pel -analytic -1.1209127E+4 -1.7980662E+0 6.0722668E+5 4.0616032E+3 -3.6083435E+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 -43.057 #kJ/mol #05maj/nav -analytic -5.0254842E+3 -8.1193357E-1 2.8639722E+5 1.8156972E+3 -1.6516854E+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 -47.306 delta_h -6681.355 #kJ/mol #05wal/pel -analytic -7.4502653E+3 -1.2023844E+0 4.0062256E+5 2.7021792E+3 -2.3877714E+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 -55.459 delta_h -8430.205 #kJ/mol #05wal/pel -analytic -9.2866178E+3 -1.490432E+0 5.0226629E+5 3.3654308E+3 -2.9923075E+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 -1.5585132E+3 -2.5366E-1 8.9253296E+4 5.6618099E+2 -5.0857622E+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 4.358 delta_h -44.808 #kJ/mol #08bla -analytic -1.5686338E+3 -2.42868E-1 8.7303116E+4 5.6888852E+2 -4.8971831E+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 3.029 delta_h -24.776 #kJ/mol #08bla -analytic -1.6320501E+3 -2.4549264E-1 8.9188377E+4 5.9186788E+2 -4.9251642E+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 6.113 delta_h -63.904 #kJ/mol #08bla -analytic -1.6192509E+3 -2.5484279E-1 9.1072961E+4 5.8736481E+2 -5.1123546E+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 -2.347 delta_h -55.698 #kJ/mol #95par/kho -analytic -2.200554E+3 -3.5861983E-1 1.215657E+5 7.9976034E+2 -7.2500453E+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 11.368 delta_h 44.382 #kJ/mol #08bla -analytic -2.3364324E+3 -3.5441283E-1 1.2873391E+5 8.4914519E+2 -7.0635904E+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 13.357 delta_h -103.790 #kJ/mol #98cha -analytic -3.1220383E+2 -4.834456E-2 2.1654221E+4 1.1211641E+2 -8.9588453E+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 -20.520 delta_h 272.108 #kJ/mol #02hem/sea -analytic -1.0564876E+4 -1.583506E+0 5.8318376E+5 3.8099321E+3 -3.262022E+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 3.399 delta_h 19.492 #kJ/mol #04maj/nav -analytic -4.163067E+2 -6.3721905E-2 2.4777197E+4 1.4849926E+2 -1.0534262E+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 2.999 delta_h 22.692 #kJ/mol #04maj/nav -analytic -4.1614608E+2 -6.3721905E-2 2.461005E+4 1.4849926E+2 -1.0534262E+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 14.904 delta_h -36.045 #kJ/mol #91kna/kub -analytic -1.2061025E+3 -1.8386208E-1 7.2608251E+4 4.313399E+2 -3.1136494E+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 -2.531 delta_h 5.080 #kJ/mol #02hem/sea -analytic -1.6596043E+3 -2.3653238E-1 8.9825981E+4 5.9913096E+2 -4.9951813E+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 83.811 delta_h -825.949 #kJ/mol #Internal calculation -analytic -3.6647161E+3 -6.0530059E-1 2.225286E+5 1.3277171E+3 -9.1308196E+6 #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 8.049 delta_h -70.171 #kJ/mol #78hel/del,85hel -analytic -3.7441336E+2 -6.2278443E-2 2.1736171E+4 1.3661561E+2 -8.8174094E+5 #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 53.666 delta_h -430.891 #kJ/mol #Internal calculation -analytic -2.5808755E+3 -4.3515611E-1 1.4518028E+5 9.4661918E+2 -5.778156E+6 #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 -882.717 #kJ/mol #Internal calculation -analytic -9.7855552E+2 -1.5384783E-1 5.3595946E+4 3.5415352E+2 -3.0807102E+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 -1.6665074E+3 -2.6803428E-1 9.4749217E+4 6.0286264E+2 -5.5121344E+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 16.571 delta_h -387.869 #kJ/mol #Internal calculation -analytic -3.1500189E+3 -4.9720992E-1 1.8546506E+5 1.1308926E+3 -9.3817581E+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 18.168 #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 -3.767611E+3 -6.2227721E-1 2.0719688E+5 1.3699122E+3 -1.177547E+7 #References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 71par/wag; Cp: 60kel; V°: 95rob/hem; Fluorapatite(Pp) Ca5(PO4)3F + 6.000H+ = 5.000Ca+2 + 1.000F- + 3.000H2PO4- log_k 11.013 #References = LogK/DGf: 84vie/tar,after 71aduf; #References = LogK/DGf: 84vie/tar,after 71aduf; Cp: 60kel; V°: 95rob/hem; Fluorapatite(Synth) Ca5(PO4)3F + 6.000H+ = 5.000Ca+2 + 1.000F- + 3.000H2PO4- log_k -0.950 #References = LogK/DGf: 68mca,80bal/nor; #References = LogK/DGf: 68mca,80bal/nor; Cp: 60kel; V°: 95rob/hem; Fluorite CaF2 = 1.000Ca+2 + 2.000F- log_k -10.510 delta_h 14.560 #kJ/mol #Internal calculation -analytic -1.6496881E+3 -2.661154E-1 8.8753095E+4 5.9836998E+2 -5.314625E+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 24.004 delta_h -318.663 #kJ/mol #95rob/hem -analytic -3.131917E+3 -5.049797E-1 1.7879822E+5 1.134626E+3 -8.9577879E+6 #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 28.604 delta_h -219.449 #kJ/mol #Internal calculation -analytic -7.4523058E+2 -1.1637461E-1 4.8850021E+4 2.6925846E+2 -1.9178335E+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 65.960 delta_h -380.238 #kJ/mol #56new -analytic -1.2585018E+3 -2.0240154E-1 8.1696099E+4 4.6241638E+2 -2.9709346E+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 74.925 delta_h -486.198 #kJ/mol #10bbla/bou -analytic -3.0374795E+3 -4.7993293E-1 1.857898E+5 1.1044722E+3 -8.9418034E+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 -14.836 delta_h -785.832 #kJ/mol #98cha -analytic -9.2559447E+2 -1.4783473E-1 4.6673934E+4 3.3654389E+2 -3.0637316E+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 -8.702 #References = LogK/DGf: 04gab/vie; #References = LogK/DGf: 04gab/vie; V°: Default value; GaOOH GaOOH + 3.000H+ = 1.000Ga+3 + 2.000H2O log_k 1.484 delta_h -42.093 #kJ/mol #Internal calculation -analytic 1.0023293E+3 1.8221867E-1 -4.8673381E+4 -3.7313745E+2 2.7896611E+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 11.222 delta_h 1.696 #kJ/mol #Internal calculation -analytic -1.7413503E+3 -2.4392783E-1 9.3840709E+4 6.3322318E+2 -5.0058535E+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 55.231 delta_h -496.484 #kJ/mol #95rob/hem -analytic -1.4208825E+3 -2.3883898E-1 9.5639504E+4 5.1235581E+2 -3.6663668E+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 7.734 delta_h -102.759 #kJ/mol #Internal calculation -analytic -4.2700652E+2 -7.0855369E-2 2.6131397E+4 1.5366735E+2 -1.068398E+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 10.574 delta_h -119.770 #kJ/mol #93bar -analytic -4.4929247E+2 -6.6408411E-2 2.8481118E+4 1.6024593E+2 -1.1003056E+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 9.349 delta_h -102.510 #kJ/mol #90nor/plu -analytic -4.474939E+2 -6.6408411E-2 2.7579567E+4 1.6024593E+2 -1.1003056E+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 38.970 delta_h -477.047 #kJ/mol #08bla -analytic -2.3623241E+3 -3.9758373E-1 1.3740107E+5 8.5707925E+2 -5.4934427E+6 #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 -6.2606699E+3 -9.6072689E-1 3.4399118E+5 2.270977E+3 -2.0768704E+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 -3.3021312E+3 -5.1053323E-1 1.8312356E+5 1.197834E+3 -1.08312E+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 1.859 delta_h -6.061 #kJ/mol #15bla/vie -analytic -1.2913768E+3 -2.1105467E-1 6.897738E+4 4.6834296E+2 -3.0289483E+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 36.994 delta_h -397.394 #kJ/mol #95rob/hem -analytic -2.9923592E+3 -4.5495579E-1 1.6325111E+5 1.0864375E+3 -6.2996903E+6 #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 0.359 delta_h 38.222 #kJ/mol #03maj/gre -analytic -4.5237594E+2 -7.4573572E-2 2.5358223E+4 1.6282127E+2 -1.1532226E+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 13.698 #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 16.840 delta_h -334.188 #kJ/mol #Internal calculation -analytic -2.9263008E+3 -4.5868866E-1 1.7030224E+5 1.052665E+3 -8.5380877E+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 21.762 delta_h -177.218 #kJ/mol #83miy/kle -analytic -1.0283665E+3 -1.6538517E-1 5.965835E+4 3.7468953E+2 -2.4713913E+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 -812.203 #kJ/mol #06deo/nav -analytic -9.3407344E+2 -1.4889994E-1 4.7625858E+4 3.3842378E+2 -2.9777133E+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 32.314 #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 45.318 #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 17.169 #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 89.151 #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 37.483 #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 -21.888 delta_h -3219.517 #kJ/mol #08bla -analytic -3.570201E+3 -5.6427322E-1 1.9194922E+5 1.2935617E+3 -1.1385836E+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 49.356 delta_h -449.383 #kJ/mol #95rob/hem -analytic -1.7898762E+3 -3.0785068E-1 1.0917507E+5 6.518296E+2 -4.2728457E+6 #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 48.006 delta_h -409.914 #kJ/mol #95rob/hem -analytic -2.6902892E+3 -4.4886859E-1 1.4998014E+5 9.8514049E+2 -6.0960086E+6 #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 19.677 #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 -4.607 delta_h -1.054 #kJ/mol #CODATA87 -analytic -1.5780732E+3 -2.5084443E-1 8.6902239E+4 5.7206662E+2 -5.2231969E+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 22.340 delta_h -122.848 #kJ/mol #10abla/bou -analytic -6.8755561E+2 -1.1318025E-1 3.8602432E+4 2.5449685E+2 -1.3839182E+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 -7.5224954E+2 -1.1904958E-1 4.1385703E+4 2.7417933E+2 -2.4809109E+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 10.322 delta_h -192.418 #kJ/mol #06bla/pia -analytic -1.0007791E+3 -1.6597303E-1 5.8190625E+4 3.6071492E+2 -2.4135956E+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 -8.268 delta_h -51.420 #kJ/mol #02hem/sea -analytic -6.5973401E+3 -9.5997803E-1 3.6022096E+5 2.3813523E+3 -2.0036447E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 90rob/cam; Hedenbergite CaFe(SiO3)2 + 4.000H+ + 2.000H2O = 1.000Ca+2 + 1.000Fe+2 + 2.000H4SiO4 log_k 19.962 delta_h -145.672 #kJ/mol #Internal calculation -analytic -7.0088314E+2 -1.1895508E-1 4.0925244E+4 2.573353E+2 -1.5744594E+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 2.811 delta_h -8.036 #kJ/mol #Internal calculation -analytic -7.2497477E+2 -1.1756105E-1 4.0155828E+4 2.6463372E+2 -2.3703872E+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 -0.048 delta_h 68.503 #kJ/mol #90hem -analytic -8.7606837E+2 -1.4278141E-1 5.020992E+4 3.1370037E+2 -2.3152594E+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 183.649 delta_h -1204.541 #kJ/mol #Internal calculation -analytic -4.0960967E+3 -6.33474E-1 2.7433851E+5 1.485131E+3 -1.1234344E+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 26.529 #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 2.461 delta_h -155.114 #kJ/mol #09bla -analytic -1.628558E+3 -2.8912394E-1 7.9875598E+4 5.9919633E+2 -2.9650422E+6 #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 2.801 delta_h -142.782 #kJ/mol #09bla -analytic -1.6826166E+3 -2.8483288E-1 8.32622E+4 6.1698675E+2 -3.1660021E+6 #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 -1.642 delta_h -4.625 #kJ/mol #Internal calculation -analytic -1.5635759E+3 -2.3958884E-1 8.6359372E+4 5.6613697E+2 -5.0804651E+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 -109.553 #kJ/mol #By convention -analytic 1.6301862E+2 2.9252808E-2 -1.3987911E+4 -5.8730822E+1 1.24437E+6 #References = S°: 89cox/wag; Cp: 98cha; V°: 95rob/hem; Hg2SO4 Hg2SO4 = 1.000Hg2+2 + 1.000SO4-2 log_k -6.192 delta_h -105.593 #kJ/mol #89cox/wag -analytic -1.5653551E+3 -2.5198692E-1 8.5552386E+4 5.6783708E+2 -5.1315194E+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 -2.189 #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 -0.871 #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 2.444 delta_h -24.830 #kJ/mol #89cox/wag -analytic -2.6918944E+2 -4.062154E-2 1.509946E+4 9.7449556E+1 -7.1398761E+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 23.593 #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 36.950 delta_h -219.135 #kJ/mol #56new -analytic -5.190987E+2 -8.4848571E-2 3.6710332E+4 1.9067891E+2 -1.2092747E+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 6.683 #References = LogK/DGf: 78ric/nri; #References = LogK/DGf: 78ric/nri; V°: 63wyc; Hopeite(alpha) Zn3(PO4)2:4H2O + 4.000H+ = 2.000H2PO4- + 3.000Zn+2 + 4.000H2O log_k -10.611 delta_h -106.828 #kJ/mol #84vie/tar, after 78yag -analytic -2.236721E+3 -3.2581228E-1 1.2372475E+5 8.0060834E+2 -6.4694289E+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 8.460 delta_h -117.328 #kJ/mol #79vol -analytic -2.2194893E+3 -3.2581228E-1 1.242732E+5 8.0060834E+2 -6.4694289E+6 #References = LogK/DGf: 84vie/tar; DHf/DHr: 79vol; S°: Internal calculation; V°: 63wyc; Huntite CaMg3(CO3)4 + 4.000H+ = 4.000HCO3- + 1.000Ca+2 + 3.000Mg+2 log_k 42.027 delta_h -351.140 #kJ/mol #73hem/rob -analytic -3.6441569E+3 -5.8648612E-1 2.1369929E+5 1.3223465E+3 -1.1357584E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 73hem/rob; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Hydrocalumnite(Cr) (CaCrO4)Al2O3(CaO)3:15H2O + 12.000H+ = 2.000Al+3 + 4.000Ca+2 + 1.000CrO4-2 + 21.000H2O log_k 71.313 delta_h -541.448 #kJ/mol #01per/pal -analytic -3.5783207E+3 -5.0255465E-1 2.139394E+5 1.2884901E+3 -9.4556278E+6 #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 2.747 delta_h -34.559 #kJ/mol #83san/bar -analytic -2.0958245E+3 -3.1542372E-1 1.1585472E+5 7.5875556E+2 -6.5296475E+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 30.992 delta_h -293.700 #kJ/mol #99kon/kon -analytic -3.9533154E+3 -6.2370002E-1 2.2665545E+5 1.4330902E+3 -1.2092221E+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 -1.5067301E+3 -2.4695275E-1 8.6378175E+4 5.4864605E+2 -4.9159323E+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 73.735 delta_h -584.221 #kJ/mol #Internal calculation -analytic -2.1319886E+3 -3.089556E-1 1.4017778E+5 7.6446731E+2 -5.6842725E+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 61.185 delta_h -557.469 #kJ/mol #Internal calculation -analytic -2.7259893E+3 -4.1336153E-1 1.7153982E+5 9.7916011E+2 -7.8046336E+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 13.193 delta_h -82.086 #kJ/mol #Internal calculation -analytic -9.0785233E+2 -1.4800871E-1 5.3456912E+4 3.3079406E+2 -2.9022986E+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 68.724 delta_h -271.930 #kJ/mol #82wag/eva -analytic -2.5144134E+3 -3.3619106E-1 1.4584355E+5 9.1581072E+2 -6.3916917E+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 11.350 delta_h -63.609 #kJ/mol #Internal calculation -analytic -9.0320997E+2 -1.463023E-1 5.2136315E+4 3.2952491E+2 -2.8511568E+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 26.028 delta_h -154.690 #kJ/mol #82wag/eva -analytic -1.3894413E+3 -1.917876E-1 8.1521697E+4 5.019129E+2 -3.7979984E+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 14.335 delta_h -178.395 #kJ/mol #Internal calculation -analytic -3.0691022E+3 -5.0928107E-1 1.7215888E+5 1.1170822E+3 -9.4486356E+6 #References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 71par/wag; Cp: 60kel; V°: 95rob/hem; Illite(Al) K0.85Al2.85Si3.15O10(OH)2 + 9.400H+ + 0.600H2O = 2.850Al+3 + 0.850K+ + 3.150H4SiO4 log_k 13.020 delta_h -266.373 #kJ/mol #15bla/vie -analytic -1.5387534E+3 -2.5698564E-1 8.8502308E+4 5.5542116E+2 -3.8044185E+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 9.455 delta_h -216.501 #kJ/mol #15bla/vie -analytic -1.4595683E+3 -2.4184666E-1 8.2260382E+4 5.2766954E+2 -3.5962958E+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 12.366 delta_h -237.562 #kJ/mol #15bla/vie -analytic -1.5384465E+3 -2.5637966E-1 8.82495E+4 5.5525367E+2 -3.7937089E+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 11.522 delta_h -201.933 #kJ/mol #12gai/bla -analytic -1.4826764E+3 -2.515287E-1 8.2740664E+4 5.3786616E+2 -3.4878725E+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 11.011 delta_h -225.651 #kJ/mol #15bla/vie -analytic -1.4676871E+3 -2.4262682E-1 8.3182692E+4 5.3052138E+2 -3.6178935E+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 1.817 delta_h -87.445 #kJ/mol #Internal calculation -analytic -8.0200194E+2 -8.5185125E-2 4.4828449E+4 2.8202101E+2 -1.6872918E+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 13.079 delta_h -205.884 #kJ/mol #82far/fra -analytic -9.9685396E+2 -1.5191817E-1 5.9250133E+4 3.5684713E+2 -2.355096E+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 15.737 delta_h -38.555 #kJ/mol #73bar/kna -analytic -1.1571204E+3 -1.8677406E-1 7.0158142E+4 4.1537986E+2 -3.0755137E+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 7.553 delta_h -100.168 #kJ/mol #95rob/hem -analytic -7.347264E+2 -1.230073E-1 4.0419614E+4 2.6777329E+2 -1.7069016E+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 114.057 delta_h -636.767 #kJ/mol #10abla/bou -analytic -1.5349618E+3 -2.439677E-1 1.0904909E+5 5.6451902E+2 -3.6321747E+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 -11.585 #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 -17.953 delta_h 187.025 #kJ/mol #96bbar/pal -analytic -4.3142513E+3 -6.6392259E-1 2.367507E+5 1.5553893E+3 -1.3203161E+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 -5.148 delta_h 100.355 #kJ/mol #04maj/ste -analytic -4.1136071E+3 -6.6032279E-1 2.3021634E+5 1.4862583E+3 -1.2841946E+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 -11.002 delta_h 193.445 #kJ/mol #03dro/nav -analytic -4.0725038E+3 -6.6132758E-1 2.2330981E+5 1.4763122E+3 -1.2742552E+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 6.730 delta_h 48.745 #kJ/mol #93sto -analytic -4.1386952E+3 -6.6780193E-1 2.3397518E+5 1.4972138E+3 -1.2888144E+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 -19.030 #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 -11.456 #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 147.327 delta_h -751.765 #kJ/mol #10abla/bou -analytic -2.6307573E+3 -4.0861633E-1 1.6862399E+5 9.7047348E+2 -5.9582818E+6 #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 -9.1374135E+1 -1.3192528E-2 2.6268854E+4 3.3391282E+1 -3.9402402E+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 -7.2554552E+2 -1.1522314E-1 4.2944444E+4 2.6627093E+2 -2.4243191E+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 84.105 delta_h -426.940 #kJ/mol #98cha -analytic -1.2949969E+2 -1.849469E-2 3.0142621E+4 4.9758117E+1 -4.5365715E+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 -4.612 delta_h 152.806 #kJ/mol #Internal calculation -analytic -3.3166296E+3 -4.9665326E-1 1.749773E+5 1.208945E+3 -1.0510546E+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 -0.191 delta_h -12.950 #kJ/mol #82wag/eva -analytic -2.4715831E+3 -3.750269E-1 1.3589053E+5 8.9538701E+2 -7.8359036E+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 -6.4282447E+2 -1.0327343E-1 3.4628329E+4 2.3515917E+2 -2.1465615E+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 11.202 delta_h -120.371 #kJ/mol #78hel/del -analytic -6.0320192E+2 -1.0110047E-1 3.5920601E+4 2.1876915E+2 -1.5343817E+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 10.633 #delta_h 0.000 #kJ/mol -analytic -5.8442108E+2 -9.9203495E-2 3.5030038E+4 2.1219208E+2 -1.5925147E+6 #References = LogK/DGf: Internal calculation; V°: Default value; Kaolinite Al2Si2O5(OH)4 + 6.000H+ = 2.000Al+3 + 2.000H4SiO4 + 1.000H2O log_k 6.471 delta_h -169.718 #kJ/mol #01fia/nav -analytic -9.8589763E+2 -1.6937521E-1 5.5087963E+4 3.5699227E+2 -2.2447679E+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 71.157 delta_h -545.767 #kJ/mol #Internal calculation -analytic -1.5900906E+3 -2.5746139E-1 1.073972E+5 5.7530205E+2 -4.0668066E+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 4.388 #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 -6.8356427E+2 -1.1018905E-1 3.6862491E+4 2.4991571E+2 -2.2527827E+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 -0.120 delta_h -51.464 #kJ/mol #Internal calculation -analytic -1.675392E+3 -2.6430477E-1 9.4859468E+4 6.0553128E+2 -5.5499544E+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 -7.878 delta_h 63.133 #kJ/mol #02hem/sea -analytic -5.0601867E+3 -7.7002704E-1 2.8197413E+5 1.8248979E+3 -1.5951453E+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 -19.391 delta_h 126.422 #kJ/mol #98bar/pal -analytic -3.0951955E+3 -5.1208975E-1 1.6928317E+5 1.1232185E+3 -1.0544992E+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 15.929 delta_h -242.655 #kJ/mol #Internal calculation -analytic -9.485757E+2 -1.6240697E-1 5.8492435E+4 3.4098741E+2 -2.4009295E+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 78.615 #References = LogK/DGf: 92plo/wic; #References = LogK/DGf: 92plo/wic; V°: Default value; Lanarkite Pb2SO5 + 2.000H+ = 2.000Pb+2 + 1.000SO4-2 + 1.000H2O log_k 2.630 delta_h -39.234 #kJ/mol #Internal calculation -analytic -1.9604686E+3 -3.0210769E-1 1.1025931E+5 7.0955048E+2 -6.4337692E+6 #References = LogK/DGf: 74nau/ryz; DHf/DHr: Internal calculation; S°: 74nau/ryz; V°: 74nau/ryz; Lansfordite MgCO3:5H2O + 1.000H+ = 1.000HCO3- + 1.000Mg+2 + 5.000H2O log_k 5.287 delta_h -11.810 #kJ/mol #99kon/kon -analytic -9.2863008E+2 -1.2359468E-1 4.9906125E+4 3.3602233E+2 -2.4965615E+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 39.038 delta_h -240.494 #kJ/mol #95rob/hem -analytic -5.3892335E+2 -9.1993849E-2 3.847885E+4 1.982105E+2 -1.25589E+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 39.317 #delta_h 0.000 #kJ/mol -analytic -5.4348923E+2 -9.2133718E-2 3.9158937E+4 1.9957422E+2 -1.3242947E+6 #References = LogK/DGf: Internal calculation; V°: Default value; Larnite(gamma) Ca2SiO4 + 4.000H+ = 2.000Ca+2 + 1.000H4SiO4 log_k 41.439 #delta_h 0.000 #kJ/mol -analytic -5.187959E+2 -9.0929534E-2 3.8574283E+4 1.9110002E+2 -1.3242947E+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 11.673 delta_h -213.577 #kJ/mol #96kis/nav -analytic -1.3452439E+3 -2.3274579E-1 7.3108028E+4 4.9030577E+2 -2.8556958E+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 -1.6567833E+3 -2.6527112E-1 9.0348537E+4 6.007234E+2 -5.4339956E+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 0.620 delta_h 6.285 #kJ/mol #Internal calculation -analytic -9.2015889E+2 -1.425926E-1 5.0121058E+4 3.3475251E+2 -2.9457123E+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 -70.816 delta_h -1168.171 #kJ/mol #Internal calculation -analytic -1.6080494E+3 -2.6004134E-1 6.8333168E+4 5.8390348E+2 -5.2675697E+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 -0.891 delta_h -24.030 #kJ/mol #74nau/ryz -analytic -1.7166655E+3 -2.5173008E-1 9.4720451E+4 6.1946915E+2 -5.3071504E+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 -3.981 delta_h 15.290 #kJ/mol #74nau/ryz -analytic -3.2370487E+3 -4.8641433E-1 1.7742068E+5 1.1719169E+3 -1.038381E+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 1.847 delta_h 27.622 #kJ/mol #03maj/gre -analytic -4.3383044E+2 -6.9925424E-2 2.5170237E+4 1.5548345E+2 -1.1227055E+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 6.871 #References = LogK/DGf: 84nri; #References = LogK/DGf: 84nri; V°: 63wyc; Lime CaO + 2.000H+ = 1.000Ca+2 + 1.000H2O log_k 32.699 delta_h -193.910 #kJ/mol #89cox/wag -analytic -2.2981557E+2 -3.8112701E-2 2.1667824E+4 8.4052037E+1 -6.0246011E+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 -49.968 delta_h -3058.828 #kJ/mol #95rob/hem -analytic -3.5384953E+3 -5.7069446E-1 1.8185875E+5 1.2839328E+3 -1.1403739E+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 12.631 delta_h -65.501 #kJ/mol #98cha -analytic -3.563847E+2 -5.7066663E-2 2.2379673E+4 1.3050539E+2 -1.0630718E+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 33.081 delta_h -247.218 #kJ/mol #04eva -analytic -1.117212E+3 -1.7478888E-1 6.7935984E+4 4.0603359E+2 -2.680649E+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 -119.076 delta_h -1215.463 #kJ/mol #Internal calculation -analytic 1.411125E+2 2.2260988E-2 -4.8195613E+4 -4.7832872E+1 1.1718775E+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 -879.578 #kJ/mol #Internal calculation -analytic -9.7649823E+2 -1.5351376E-1 5.3325403E+4 3.5340009E+2 -3.0749484E+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 2.836 delta_h 50.373 #kJ/mol #03maj/gre -analytic -8.8036566E+2 -1.4332938E-1 5.1397964E+4 3.1512919E+2 -2.3308743E+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 22.175 delta_h -137.370 #kJ/mol #95rob/hem -analytic -1.3008844E+3 -2.0539954E-1 8.2056835E+4 4.6453838E+2 -3.590453E+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 19.251 delta_h -72.516 #kJ/mol #73bar/kna -analytic -1.3050893E+3 -2.030592E-1 8.091508E+4 4.6655307E+2 -3.6413273E+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 -9.3271446E+2 -1.4911657E-1 5.2089668E+4 3.3809675E+2 -2.90857E+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 -9.3271499E+2 -1.4911657E-1 5.2332032E+4 3.3809675E+2 -2.90857E+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 10.356 delta_h -17.831 #kJ/mol #90hem -analytic -1.1631852E+3 -1.8861061E-1 6.9308057E+4 4.1714384E+2 -3.1005717E+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 14.589 delta_h -41.989 #kJ/mol #Internal calculation -analytic -1.1631852E+3 -1.8861061E-1 7.0569905E+4 4.1714384E+2 -3.1005717E+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 5.169 delta_h -65.926 #kJ/mol #Internal calculation -analytic -1.2433609E+3 -1.9656033E-1 6.8823291E+4 4.514828E+2 -3.6325842E+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 18.356 delta_h -121.934 #kJ/mol #Internal calculation -analytic -3.0659429E+2 -4.7374303E-2 2.2223817E+4 1.1078223E+2 -8.5224618E+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 -2.741 #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 -22.861 delta_h -1413.782 #kJ/mol #76gro/wes -analytic -1.6065259E+3 -2.5998313E-1 8.2303131E+4 5.8363906E+2 -5.2486093E+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 36.984 delta_h -518.308 #kJ/mol #95rob/hem -analytic -2.1229088E+3 -3.5998623E-1 1.3002189E+5 7.6440042E+2 -5.3630992E+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 12.742 delta_h -66.848 #kJ/mol #98cha -analytic -3.4244788E+2 -5.404025E-2 2.1867688E+4 1.2514125E+2 -1.0396973E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 97asho/sas; Melanterite FeSO4:7H2O = 1.000Fe+2 + 1.000SO4-2 + 7.000H2O log_k -2.321 delta_h 12.450 #kJ/mol #95par/kho -analytic -1.6552153E+3 -2.3204983E-1 8.905843E+4 5.9755167E+2 -4.9092281E+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 -1.3844563E+3 -2.2459138E-1 7.7602064E+4 5.0277535E+2 -4.8309273E+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 9.474 delta_h -105.628 #kJ/mol #09bla -analytic -6.5093001E+2 -1.0679723E-1 3.6895381E+4 2.3667889E+2 -1.524412E+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 10.290 delta_h -115.307 #kJ/mol #09bla -analytic -6.9150391E+2 -1.1117277E-1 3.9599453E+4 2.5078389E+2 -1.6379226E+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 69.275 delta_h -454.214 #kJ/mol #Internal calculation -analytic -1.2658462E+3 -2.0682686E-1 8.6359915E+4 4.6180063E+2 -3.161213E+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 -26.849 delta_h -665.454 #kJ/mol #Internal calculation -analytic -7.4895143E+2 -1.2091262E-1 3.3202511E+4 2.7243241E+2 -2.4290831E+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 -4.08313E+2 -6.2313851E-2 6.1313219E+4 1.4516509E+2 -1.3496343E+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 15.993 #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 8.587 #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 -1.6958776E+3 -2.6892365E-1 9.92454E+4 6.1255125E+2 -5.6382589E+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 0.004 delta_h -56.203 #kJ/mol #95rob/hem -analytic -7.3677713E+2 -1.2898219E-1 3.6861528E+4 2.703714E+2 -1.547971E+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 30.530 delta_h -142.109 #kJ/mol #98cha -analytic -7.3831714E+2 -1.1326585E-1 4.6892371E+4 2.7062221E+2 -2.1599093E+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 14.924 delta_h -148.467 #kJ/mol #83miy/kle -analytic -1.1632242E+3 -1.9560839E-1 6.2685869E+4 4.2632471E+2 -2.550644E+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 -1.233 delta_h 79.471 #kJ/mol #Internal calculation -analytic -1.3776661E+3 -1.9982533E-1 7.3063678E+4 5.0163355E+2 -4.4718258E+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 -8.7069886E+2 -1.4527619E-1 4.7592739E+4 3.1728734E+2 -2.7042006E+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 80.545 delta_h -530.628 #kJ/mol #61ber/new -analytic -2.3817751E+3 -3.6967084E-1 1.5167004E+5 8.6445012E+2 -6.6840807E+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 2.727 delta_h -20.470 #kJ/mol #73hul/tur -analytic -8.8143561E+2 -1.3428792E-1 4.8239049E+4 3.2006788E+2 -2.6295945E+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 66.044 delta_h -279.843 #kJ/mol #Internal calculation -analytic -3.0676685E+3 -4.7986154E-1 1.8792596E+5 1.1113267E+3 -9.1941407E+6 #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 73.064 delta_h -539.403 #kJ/mol #10bbla/bou -analytic -3.1633795E+3 -5.130326E-1 1.93277E+5 1.1496646E+3 -9.2111182E+6 #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 15.103 delta_h -103.400 #kJ/mol #89cox/wag -analytic -2.8999212E+2 -4.4122592E-2 2.0465536E+4 1.0456389E+2 -8.1139219E+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 30.086 delta_h -208.370 #kJ/mol #Internal calculation -analytic -6.6777556E+2 -1.0740318E-1 4.4094085E+4 2.4286258E+2 -1.6850827E+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 6.886 delta_h -163.897 #kJ/mol #15bla/vie -analytic -1.1987196E+3 -1.994055E-1 6.5477183E+4 4.3491916E+2 -2.731862E+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 4.433 delta_h -128.961 #kJ/mol #15bla/vie -analytic -1.1640022E+3 -1.9321886E-1 6.2206019E+4 4.2325721E+2 -2.6596285E+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 5.980 delta_h -166.297 #kJ/mol #15bla/vie -analytic -1.2259604E+3 -2.0260769E-1 6.7058294E+4 4.4417262E+2 -2.8128793E+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 5.455 delta_h -144.991 #kJ/mol #15bla/vie -analytic -1.1995138E+3 -1.9693447E-1 6.4864744E+4 4.3526999E+2 -2.7485531E+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 4.206 delta_h -156.001 #kJ/mol #15bla/vie -analytic -1.1681531E+3 -1.9703009E-1 6.3091915E+4 4.2391799E+2 -2.6192696E+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 2.814 delta_h -136.199 #kJ/mol #15bla/vie -analytic -1.1789485E+3 -1.9748246E-1 6.3047518E+4 4.2815749E+2 -2.690647E+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 3.692 delta_h -157.361 #kJ/mol #15bla/vie -analytic -1.2140639E+3 -2.0280334E-1 6.5797701E+4 4.4001162E+2 -2.7774984E+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 3.394 delta_h -145.287 #kJ/mol #15bla/vie -analytic -1.1990748E+3 -1.9958851E-1 6.4554512E+4 4.3496584E+2 -2.7410469E+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 -2.200 delta_h 1.570 #kJ/mol #74nau/ryz -analytic -1.6642975E+3 -2.3740234E-1 9.0199421E+4 6.0079534E+2 -5.0029128E+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 -2.918 delta_h -67.875 #kJ/mol #09bla -analytic -8.7298564E+2 -1.4943245E-1 4.2359887E+4 3.1948275E+2 -1.5995946E+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 -4.181 delta_h -41.249 #kJ/mol #92joh/tas -analytic -7.9185479E+2 -1.432055E-1 3.5546154E+4 2.9294945E+2 -1.2210443E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 92joh/tas; S°: 92joh/tas; Cp: 92joh/tas; V°: 92joh/tas; Mullite Al6Si2O13 + 18.000H+ = 6.000Al+3 + 2.000H4SiO4 + 5.000H2O log_k 50.493 delta_h -762.738 #kJ/mol #95rob/hem -analytic -2.7906089E+3 -4.7256381E-1 1.7601823E+5 9.9958525E+2 -7.269678E+6 #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 14.000 delta_h -276.123 #kJ/mol #95has/cyg -analytic -1.5948808E+3 -2.7315468E-1 9.0610119E+4 5.7769416E+2 -3.8271104E+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 11.337 delta_h -260.923 #kJ/mol #06bla/pia -analytic -1.5948808E+3 -2.7315468E-1 8.9816169E+4 5.7769416E+2 -3.8271104E+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 67.389 delta_h -380.222 #kJ/mol #By convention -analytic -1.6166581E+2 -2.1496048E-2 2.9333667E+4 5.802293E+1 -5.7739696E+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 -8.4894412E+2 -1.2888968E-1 4.9145083E+4 3.0909826E+2 -2.7428307E+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 9.865 delta_h 27.981 #kJ/mol #Internal calculation -analytic -9.4556051E+2 -1.1189443E-1 4.9158689E+4 3.4382997E+2 -2.3892135E+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 -8.4129375E+2 -1.2884853E-1 4.8346931E+4 3.0612801E+2 -2.7290688E+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 67.457 delta_h -351.710 #kJ/mol #95rob/hem -analytic -2.4603552E+2 -3.0789283E-2 3.2197702E+4 9.0081382E+1 -7.3070451E+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 -3.211 #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 -1.0220022E+3 -1.5431706E-1 6.20248E+4 3.7196974E+2 -3.2813874E+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 -1642.504 #kJ/mol #14las/pia -analytic -1.8526615E+3 -2.9429281E-1 1.0215613E+5 6.7264478E+2 -6.0333541E+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 -7.392466E+2 -1.1613447E-1 4.0935684E+4 2.6908589E+2 -2.3967257E+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 -7.113399E+2 -1.1020638E-1 3.8282295E+4 2.5918806E+2 -2.3075365E+6 #References = LogK/DGf: 84har/mol; DHf/DHr: 82van; S°: Internal calculation; Cp: 74nau/ryz; V°: 95rob/hem; Natrolite Na2(Al2Si3)O10:2H2O + 8.000H+ = 2.000Al+3 + 2.000Na+ + 3.000H4SiO4 log_k 19.310 delta_h -222.463 #kJ/mol #83joh/flo -analytic -1.3669751E+3 -2.2420689E-1 7.7495689E+4 4.9677472E+2 -3.2024942E+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 9.494 delta_h 50.170 #kJ/mol #Internal calculation -analytic -7.6609055E+2 -1.0254428E-1 3.9588496E+4 2.8214483E+2 -2.2020231E+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 14.072 delta_h -146.839 #kJ/mol #Internal calculation -analytic -6.5397549E+2 -1.0651874E-1 3.9974922E+4 2.3621216E+2 -1.6678377E+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 5.230 delta_h -37.120 #kJ/mol #73rob/hem -analytic -3.0437984E+3 -5.5905341E-1 1.4745539E+5 1.1325992E+3 -7.2359451E+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 5.234 #delta_h 0.000 #kJ/mol -analytic -8.9925534E+2 -1.4295598E-1 4.9951389E+4 3.2742572E+2 -2.7218608E+6 #References = LogK/DGf: Internal calculation; V°: Default value; Newberyite MgHPO4:3H2O + 1.000H+ = 1.000Mg+2 + 1.000H2PO4- + 3.000H2O log_k 1.409 #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 50.943 delta_h -339.263 #kJ/mol #By convention -analytic -4.1473001E+2 -6.4641772E-2 4.0484895E+4 1.4748648E+2 -1.4033541E+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 11.669 delta_h -82.100 #kJ/mol #10pal/gam -analytic -2.8702469E+2 -4.4717475E-2 1.9465037E+4 1.0360242E+2 -8.5488125E+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 -6714.795 #kJ/mol #05gam/bug -analytic -2.4255831E+3 -3.8274391E-1 6.7141507E+4 8.7082278E+2 -5.3836935E+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 19.539 delta_h -184.194 #kJ/mol #05gam/bug -analytic -6.9873606E+2 -1.1255584E-1 4.4446169E+4 2.518723E+2 -1.8206855E+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 8.469 delta_h -105.439 #kJ/mol #05gam/bug -analytic -2.2446255E+3 -3.1866456E-1 1.2358522E+5 8.0957576E+2 -6.1910121E+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 25.555 delta_h -2011.209 #kJ/mol #05gam/bug -analytic -2.3504102E+3 -3.7511244E-1 1.4187564E+5 8.4774022E+2 -7.6205178E+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 49.270 delta_h -2383.191 #kJ/mol #05gam/bug -analytic -1.5496486E+3 -2.4367911E-1 1.0569359E+5 5.5318165E+2 -4.5992316E+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 -1.648 delta_h -7135.846 #kJ/mol #05gam/bug -analytic -8.3823657E+3 -1.3426882E+0 4.7476695E+5 3.028456E+3 -2.7117226E+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 -42.628 delta_h -734.181 #kJ/mol #05gam/bug -analytic -1.4944256E+2 -2.3326378E-2 -5.4186675E+3 5.407394E+1 -1.6526547E+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 -1.5673252E+3 -2.5504315E-1 9.0038911E+4 5.6886531E+2 -5.1247117E+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 4.854 delta_h -51.950 #kJ/mol #05gam/bug -analytic -1.5470522E+3 -2.526637E-1 8.7238394E+4 5.6248998E+2 -5.0852286E+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 3.752 delta_h -22.930 #kJ/mol #05gam/bug -analytic -1.6345803E+3 -2.4643027E-1 8.9410607E+4 5.9315464E+2 -4.960435E+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 2.973 delta_h -3.940 #kJ/mol #05gam/bug -analytic -1.6430787E+3 -2.4019684E-1 8.8524833E+4 5.9615668E+2 -4.8356414E+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 -9.0950143E+2 -1.4698566E-1 5.0789886E+4 3.2922265E+2 -2.8802076E+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 -1.6994674E+3 -2.7223057E-1 9.5943543E+4 6.1436795E+2 -5.4783313E+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 10.775 delta_h -32.557 #kJ/mol #95rob/hem -analytic -1.2929494E+3 -2.0482446E-1 7.7838533E+4 4.6240384E+2 -3.5972475E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 04roi; NiS(alpha) NiS + 1.000H+ = 1.000Ni+2 + 1.000HS- log_k -9.577 delta_h -856.473 #kJ/mol #05gam/bug -analytic -9.6861471E+2 -1.5550177E-1 5.1788758E+4 3.502687E+2 -3.1127422E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi; NiS2 NiS2 + 0.750H2O = 1.000Ni+2 + 1.500HS- + 0.250S2O3-2 log_k -25.240 delta_h -1421.882 #kJ/mol #05gam/bug -analytic -1.6261379E+3 -2.6362351E-1 8.3925229E+4 5.8937261E+2 -5.3650359E+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 -1.6659996E+3 -2.682593E-1 9.6195258E+4 6.0221288E+2 -5.5221017E+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 -2.324 #delta_h 0.000 #kJ/mol #05gam/bug -analytic -1.5559677E+3 -2.3857695E-1 8.565653E+4 5.6347689E+2 -5.0495434E+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 -2.340 delta_h 7.680 #kJ/mol #05gam/bug -analytic -1.5364265E+3 -2.3369079E-1 8.4172504E+4 5.5657337E+2 -4.9566292E+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 -2.823 delta_h 19.205 #kJ/mol #15bla/vie -analytic -1.3317176E+3 -2.2163408E-1 7.0818391E+4 4.8167577E+2 -3.0603286E+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 -3.993 delta_h 37.737 #kJ/mol #15bla/vie -analytic -1.3151921E+3 -2.1853713E-1 6.9217702E+4 4.7618789E+2 -3.0309959E+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 -3.369 delta_h 18.025 #kJ/mol #15bla/vie -analytic -1.3483125E+3 -2.2359928E-1 7.177371E+4 4.8733175E+2 -3.1105062E+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 -3.494 delta_h 29.119 #kJ/mol #15bla/vie -analytic -1.3348437E+3 -2.2058158E-1 7.0671984E+4 4.828274E+2 -3.0796478E+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 1.333 delta_h -20.610 #kJ/mol #13gai/bla -analytic -1.4070522E+3 -2.4147754E-1 7.5390615E+4 5.1030382E+2 -3.1284309E+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 9.180 delta_h -43.858 #kJ/mol #10abla/bou -analytic -3.6163465E+2 -5.9241274E-2 1.8698583E+4 1.3453134E+2 -6.3352334E+5 #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 2.390 #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 -65.102 delta_h -2660.246 #kJ/mol #Internal calculation -analytic -2.6864123E+3 -4.4185309E-1 1.2663353E+5 9.7924806E+2 -8.424208E+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 -8.8925809E+2 -1.4348726E-1 4.8437856E+4 3.2294406E+2 -2.7823266E+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 -68.934 delta_h -858.688 #kJ/mol #89cox/wag -analytic 2.9803538E+2 4.5927419E-2 -4.0364308E+4 -1.0553155E+2 1.4090701E+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 16.788 delta_h -301.623 #kJ/mol #96rou/hov -analytic -1.7189083E+3 -2.8796471E-1 9.88627E+4 6.2129445E+2 -4.2123891E+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 104.525 delta_h -954.614 #kJ/mol #Internal calculation -analytic -3.7898861E+3 -6.1724725E-1 2.3589446E+5 1.3713915E+3 -9.4377388E+6 #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 47.241 delta_h -278.843 #kJ/mol #By convention -analytic -3.4851073E+2 -5.4260243E-2 3.4467602E+4 1.2550095E+2 -1.2640441E+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 13.512 delta_h -56.140 #kJ/mol #52lat -analytic -3.1323007E+2 -4.1680642E-2 1.987237E+4 1.1410949E+2 -8.7469124E+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 15.890 delta_h -81.473 #kJ/mol #98cha -analytic -6.1988421E+2 -9.8786517E-2 3.6726559E+4 2.2708664E+2 -1.7659193E+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 -2.0146304E+3 -3.2440995E-1 1.1078819E+5 7.3123239E+2 -6.6758142E+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 4.487 #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 -9.3895881E+2 -1.4495725E-1 5.0201844E+4 3.4060483E+2 -2.9538797E+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 12.061 delta_h -101.834 #kJ/mol #By convention -analytic -4.0254437E+2 -6.3293533E-2 2.7215174E+4 1.4428338E+2 -1.3176827E+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 -0.619 delta_h -8.148 #kJ/mol #Internal calculation -analytic -2.9836756E+2 -4.5415203E-2 1.5670217E+4 1.0813703E+2 -7.8648826E+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 -8.841 delta_h -943.649 #kJ/mol #Internal calculation -analytic -2.1800032E+3 -3.4582882E-1 1.2200829E+5 7.8564141E+2 -7.0194654E+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 0.108 delta_h -22.551 #kJ/mol #Internal calculation -analytic -3.1519711E+2 -4.9219882E-2 1.7411899E+4 1.1373825E+2 -8.7627206E+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 -55.401 delta_h -1234.203 #kJ/mol #Internal calculation -analytic -1.6072739E+3 -2.6032605E-1 7.2743482E+4 5.8368459E+2 -5.2254574E+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 -1.282 delta_h -14.187 #kJ/mol #Internal calculation -analytic -1.7010546E+3 -2.4539809E-1 9.3233829E+4 6.1371887E+2 -5.1892999E+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 21.584 delta_h -151.230 #kJ/mol #89cox/wag -analytic -3.4024528E+2 -5.1189336E-2 2.5596794E+4 1.2206444E+2 -9.6015047E+5 #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 8.935 #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 2.320 delta_h -83.633 #kJ/mol #Internal calculation -analytic -7.1271357E+2 -1.1918398E-1 3.7005583E+4 2.5968106E+2 -1.4323028E+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 0.040 delta_h -46.436 #kJ/mol #Internal calculation -analytic -6.6986016E+2 -1.115838E-1 3.3550705E+4 2.4501332E+2 -1.3893971E+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 1.450 delta_h -64.833 #kJ/mol #Internal calculation -analytic -7.3533029E+2 -1.1744576E-1 3.7864057E+4 2.6754934E+2 -1.5319008E+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 41.082 delta_h -360.123 #kJ/mol #92cir/nav -analytic -1.737548E+3 -2.7905657E-1 1.0458653E+5 6.3029339E+2 -4.317962E+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 44.180 delta_h -391.183 #kJ/mol #98hol/pow -analytic -1.7916703E+3 -2.8509243E-1 1.0894649E+5 6.4882848E+2 -4.448331E+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 -2.4536545E+3 -3.8655339E-1 1.3191468E+5 8.9165001E+2 -7.950751E+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 -4.332 delta_h 33.490 #kJ/mol #74nau/ryz -analytic -3.2232732E+3 -4.7661095E-1 1.7543746E+5 1.1668677E+3 -1.0197446E+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 11.743 delta_h -19.823 #kJ/mol #Internal calculation -analytic -1.7610201E+3 -2.5863522E-1 9.6514317E+4 6.4080213E+2 -5.28544E+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 6.559 delta_h -16.236 #kJ/mol #98cha -analytic -1.6824063E+2 -2.5792997E-2 9.0502903E+3 6.306036E+1 -3.4699132E+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 9.643 #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 19.869 #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 -13.741 #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 22.809 delta_h -130.107 #kJ/mol #Internal calculation -analytic -2.0860029E+2 -3.3878824E-2 1.7101262E+4 7.6713764E+1 -5.0406986E+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 32.580 delta_h -346.617 #kJ/mol #98cha/kru -analytic -1.544913E+3 -2.6559065E-1 9.1401453E+4 5.6198408E+2 -3.5980949E+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 22.032 #References = LogK/DGf: 84nri; #References = LogK/DGf: 84nri; V°: 63wyc; Pt(element) Pt + 0.500O2 + 2.000H+ = 1.000Pt+2 + 1.000H2O log_k -2.159 delta_h -24.919 #kJ/mol #By convention -analytic -4.0433584E+2 -6.3684693E-2 2.3285215E+4 1.4468282E+2 -1.3282862E+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 -74.386 delta_h -1125.026 #kJ/mol #Internal calculation -analytic -1.6095798E+3 -2.6094168E-1 6.7194472E+4 5.8460093E+2 -5.238904E+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 -23.590 delta_h -1409.332 #kJ/mol #05wal/pel -analytic -1.6076974E+3 -2.6014632E-1 8.2137475E+4 5.8407864E+2 -5.2522406E+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 -18.120 #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 58.914 delta_h -576.383 #kJ/mol #95rob/hem -analytic -2.1679284E+3 -3.5264264E-1 1.3716134E+5 7.8170939E+2 -5.5422373E+6 #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 -0.453 delta_h -138.257 #kJ/mol #95rob/hem -analytic -1.1628481E+3 -2.049586E-1 6.032886E+4 4.2383278E+2 -2.4523429E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 76rob/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 36.226 delta_h -373.125 #kJ/mol #Internal calculation -analytic -1.1777159E+3 -2.0014945E-1 7.6772081E+4 4.2429487E+2 -3.0017509E+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 -878.782 #kJ/mol #05wal/pel -analytic -1.1321875E+3 -1.8235847E-1 6.1305101E+4 4.1103816E+2 -3.5403698E+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 -3.737 delta_h 21.166 #kJ/mol #82ric/bot -analytic -7.5895338E+1 -1.5422139E-2 1.5615589E+3 2.9087273E+1 -4.0514987E+4 #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 -3.505 #delta_h 0.000 #kJ/mol -analytic -6.8943854E+1 -1.453455E-2 1.2544854E+3 2.6568692E+1 -1.5788328E+4 #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 -7.796 delta_h -1038.630 #kJ/mol #Internal calculation -analytic -1.0561353E+3 -1.7430394E-1 5.555984E+4 3.8460823E+2 -3.3538562E+6 #References = LogK/DGf: 11bla/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 22.693 delta_h -169.367 #kJ/mol #98sas/sho -analytic -4.00915E+2 -6.26122E-2 3.0841492E+4 1.4305812E+2 -1.3471779E+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 32.167 delta_h -249.665 #kJ/mol #Internal calculation -analytic -8.796417E+2 -1.3844947E-1 6.2594662E+4 3.1309903E+2 -2.808935E+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 12.338 delta_h -71.137 #kJ/mol #Internal calculation -analytic -9.8681214E+2 -1.5763916E-1 6.2099093E+4 3.5176997E+2 -2.8946162E+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 -8.9448498E+2 -1.447547E-1 4.9048099E+4 3.251749E+2 -2.7786486E+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 9.166 delta_h -18.281 #kJ/mol #98hol/pow -analytic -2.6589261E+3 -4.3918913E-1 1.3789391E+5 9.7129313E+2 -5.9436999E+6 #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 1.839 #References = LogK/DGf: 84nri; #References = LogK/DGf: 84nri; V°: Default value; Romarchite SnO + 2.000H+ = 1.000Sn+2 + 1.000H2O log_k 2.227 delta_h -13.896 #kJ/mol #89cox/wag -analytic -2.8999155E+2 -4.4343041E-2 1.6701032E+4 1.0507711E+2 -9.4067746E+5 #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 -11.647 delta_h 100.783 #kJ/mol #02hem/sea -analytic -6.7194301E+3 -1.0032128E+0 3.7007859E+5 2.4250113E+3 -2.0880272E+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 -1.701 delta_h -14.960 #kJ/mol #02cho/sea -analytic -1.6785167E+3 -2.4719535E-1 9.2179494E+4 6.0611872E+2 -5.1963711E+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 16.680 delta_h -157.113 #kJ/mol #Internal calculation -analytic -4.0063587E+2 -6.2340836E-2 2.8922728E+4 1.4307729E+2 -1.3458802E+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 -13.123 delta_h 137.924 #kJ/mol #Internal calculation -analytic -4.0222737E+2 -6.5437289E-2 1.886713E+4 1.4401895E+2 -9.8061537E+5 #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 -8.858 delta_h 0.300 #kJ/mol #89cox/wag -analytic -5.1540942E+2 -3.9727872E-2 2.5679554E+4 1.7881056E+2 -9.0572332E+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 -45.139 delta_h -605.310 #kJ/mol #By convention -analytic -5.602288E+2 -9.1663496E-2 1.6254771E+4 2.0503514E+2 -1.7286101E+6 #References = S°: 89cox/wag; Cp: 11par/cor; V°: 11par/cor; S(beta) S + 1.000H2O = 1.000HS- + 0.500O2 + 1.000H+ log_k -45.127 #delta_h 0.000 #kJ/mol -analytic -5.5963535E+2 -9.1584791E-2 1.6243004E+4 2.0480187E+2 -1.727504E+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 -45.088 #delta_h 0.000 #kJ/mol -analytic -5.4308374E+2 -9.0096285E-2 1.5209283E+4 1.9901195E+2 -1.6530806E+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 0.609 delta_h -65.203 #kJ/mol #95rob/hem -analytic -7.3894518E+2 -1.2927442E-1 3.7405984E+4 2.7081817E+2 -1.5543047E+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 29.339 delta_h -271.306 #kJ/mol #15bla/vie -analytic -1.4679336E+3 -2.3033044E-1 8.6526936E+4 5.3180788E+2 -3.5727334E+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 26.553 delta_h -259.176 #kJ/mol #15bla/vie -analytic -1.4361908E+3 -2.2719356E-1 8.4109896E+4 5.2035792E+2 -3.4860626E+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 25.382 delta_h -240.633 #kJ/mol #15bla/vie -analytic -1.4165116E+3 -2.2368667E-1 8.2321435E+4 5.1374712E+2 -3.445111E+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 26.005 delta_h -260.346 #kJ/mol #15bla/vie -analytic -1.451627E+3 -2.2900755E-1 8.4995879E+4 5.2560124E+2 -3.5319625E+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 25.707 delta_h -248.261 #kJ/mol #15bla/vie -analytic -1.4366339E+3 -2.2579273E-1 8.3752012E+4 5.2055425E+2 -3.4955109E+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 27.414 delta_h -248.047 #kJ/mol #15bla/vie -analytic -1.4433778E+3 -2.2608265E-1 8.4228204E+4 5.2345354E+2 -3.5162809E+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 28.794 delta_h -272.486 #kJ/mol #15bla/vie -analytic -1.4833657E+3 -2.3214443E-1 8.7413286E+4 5.3705E+2 -3.6186332E+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 27.955 delta_h -256.783 #kJ/mol #15bla/vie -analytic -1.4629424E+3 -2.2812926E-1 8.5687579E+4 5.3006983E+2 -3.5652414E+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 31.457 delta_h -282.138 #kJ/mol #13gai/bla -analytic -1.4992947E+3 -2.4230547E-1 8.7573079E+4 5.4512257E+2 -3.5199312E+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 52.747 delta_h -316.199 #kJ/mol #Internal calculation -analytic -7.3243948E+1 -1.7339271E-2 1.9544135E+4 2.7218361E+1 -1.5472902E+5 #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 7.440 #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 8.953 #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 16.630 delta_h -240.213 #kJ/mol #83joh/flo -analytic -1.3509071E+3 -2.3333788E-1 7.5509884E+4 4.9198629E+2 -2.9817448E+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 -7.371 delta_h 77.472 #kJ/mol #11maj/dra -analytic -9.9439678E+2 -1.59003E-1 5.357269E+4 3.5903799E+2 -2.9927664E+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 -4.541 #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 -1.7205813E+3 -2.7422602E-1 9.3941364E+4 6.2239264E+2 -5.5140069E+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 -9.831 delta_h 67.343 #kJ/mol #Internal calculation -analytic 1.180315E+2 7.2977432E-3 -1.4458072E+4 -3.7531885E+1 1.0066432E+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 31.420 delta_h -239.969 #kJ/mol #Internal calculation -analytic -1.6080804E+3 -2.5767279E-1 8.7642508E+4 5.8951884E+2 -3.231673E+6 #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 -9.0291123E+2 -1.4586221E-1 4.9931005E+4 3.2756219E+2 -2.8333834E+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 40.554 delta_h -484.778 #kJ/mol #90hol/pow -analytic -2.2116482E+3 -3.6267321E-1 1.3526136E+5 7.9696059E+2 -5.8103141E+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 -2.241 delta_h -4.190 #kJ/mol #02hem/sea -analytic -1.673414E+3 -2.4257184E-1 9.1189385E+4 6.0422151E+2 -5.1079866E+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 16.563 delta_h -250.179 #kJ/mol #Internal calculation -analytic -9.4796973E+2 -1.6189265E-1 5.8886872E+4 3.4042178E+2 -2.4052505E+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 5.261 delta_h -166.924 #kJ/mol #12gai/bla -analytic -1.331561E+3 -2.2877809E-1 7.1937629E+4 4.8387027E+2 -2.9826428E+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 4.233 delta_h -154.300 #kJ/mol #17gai/vie -analytic -1.1999669E+3 -2.0062374E-1 6.5971455E+4 4.3404757E+2 -2.780222E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 17gai/vie; 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 4.637 delta_h -150.456 #kJ/mol #17gai/vie -analytic -1.1600134E+3 -1.9437034E-1 6.3696005E+4 4.1985759E+2 -2.6619985E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 17gai/vie; S°: 12gai/bla; Cp: 12gai/bla; V°: 12gai/bla; Smithsonite ZnCO3 + 1.000H+ = 1.000HCO3- + 1.000Zn+2 log_k 0.447 delta_h -30.470 #kJ/mol #Internal calculation -analytic -9.3357478E+2 -1.495946E-1 5.1744281E+4 3.3862817E+2 -2.9193866E+6 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Sn(alpha) Sn + 0.500O2 + 2.000H+ = 1.000Sn+2 + 1.000H2O log_k 47.809 delta_h -288.539 #kJ/mol #By convention -analytic -3.6836533E+2 -5.7511144E-2 3.6049952E+4 1.3232735E+2 -1.3357743E+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 48.307 #delta_h 0.000 #kJ/mol -analytic -3.6524038E+2 -5.6822726E-2 3.6274824E+4 1.3087808E+2 -1.3357743E+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 16.829 #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 49.871 delta_h -478.069 #kJ/mol #98hol/pow -analytic -2.0606927E+3 -3.4119401E-1 1.2616001E+5 7.4665482E+2 -5.1914285E+6 #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 -9.0849323E+2 -1.4524623E-1 5.0273155E+4 3.2921944E+2 -2.8733576E+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 -11.488 delta_h -833.392 #kJ/mol #Internal calculation -analytic -9.7146192E+2 -1.5443722E-1 5.0803214E+4 3.518045E+2 -3.1017775E+6 #References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del; Spinel MgAl2O4 + 8.000H+ = 2.000Al+3 + 1.000Mg+2 + 4.000H2O log_k 37.851 delta_h -399.057 #kJ/mol #Internal calculation -analytic -1.1927622E+3 -1.9510765E-1 8.055579E+4 4.2645175E+2 -3.2559531E+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 7.600 #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 141.779 delta_h -830.663 #kJ/mol #By convention -analytic -3.5819719E+2 -5.4886853E-2 6.3679171E+4 1.2816679E+2 -1.2783043E+6 #References = S°: 98cha; Cp: 98cha; V°: 95rob/hem; Sr(OH)2 Sr(OH)2 + 2.000H+ = 1.000Sr+2 + 2.000H2O log_k 27.513 delta_h -153.670 #kJ/mol #98cha -analytic -2.6896563E+2 -3.8367288E-2 2.2533353E+4 9.7483067E+1 -7.8892335E+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 24.317 delta_h -57.000 #kJ/mol #82wag/eva -analytic -3.4955952E+2 -1.7322262E-2 2.0315171E+4 1.2726848E+2 -3.5681706E+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 43.248 #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 -2.2048079E+3 -3.3955459E-1 1.2658484E+5 7.9576955E+2 -6.8511451E+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 7.170 delta_h -261.630 #kJ/mol #95jem/che -analytic -3.482658E+3 -5.3045989E-1 2.0041177E+5 1.2512845E+3 -1.0704713E+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 -1.5278184E+3 -2.477959E-1 8.7032834E+4 5.5583554E+2 -5.0621232E+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 3.467 delta_h -18.720 #kJ/mol #82wag/eva -analytic -1.4930799E+3 -2.3924548E-1 8.2967318E+4 5.4343592E+2 -4.8973686E+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 1.613 delta_h 23.760 #kJ/mol #82wag/eva -analytic -1.5222606E+3 -2.1973607E-1 8.1209221E+4 5.5282481E+2 -4.5263191E+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 4.909 delta_h -34.090 #kJ/mol #82wag/eva -analytic -1.5110371E+3 -2.4369397E-1 8.476637E+4 5.4976132E+2 -4.9827345E+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 -1.6564001E+3 -2.6000314E-1 9.1561629E+4 5.9947533E+2 -5.4395446E+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 -9.4351907E+2 -1.4553259E-1 5.2044061E+4 3.4175565E+2 -2.93518E+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 41.976 delta_h -244.690 #kJ/mol #98cha -analytic -2.8441784E+2 -4.2974575E-2 2.8169134E+4 1.028893E+2 -8.7702795E+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 -962.343 #kJ/mol #74nau/ryz -analytic -9.4569983E+2 -1.4806553E-1 5.6587913E+4 3.4309765E+2 -3.0436461E+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 13.159 delta_h -80.274 #kJ/mol #82wag/eva -analytic -3.5235891E+2 -5.6201995E-2 2.1983027E+4 1.2882838E+2 -9.0980501E+5 #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 216.308 delta_h -1965.817 #kJ/mol #87woo/gar -analytic -4.7865816E+3 -8.1014799E-1 3.360154E+5 1.7200057E+3 -1.2321298E+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 6.921 delta_h -325.102 #kJ/mol #01fri/neu -analytic -2.8517509E+3 -5.1354039E-1 1.3919701E+5 1.0501014E+3 -4.7551267E+6 #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 7.417 #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 -56.199 delta_h -2297.063 #kJ/mol #Internal calculation -analytic -1.8531572E+3 -3.15948E-1 8.2416735E+4 6.787817E+2 -5.7665143E+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 22.973 delta_h -434.156 #kJ/mol #01fri/neu -analytic -3.4126235E+3 -5.9615306E-1 1.7540966E+5 1.2520542E+3 -6.4993021E+6 #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 49.657 delta_h -408.377 #kJ/mol #Internal calculation -analytic -1.2612895E+3 -1.984287E-1 8.3082512E+4 4.5496862E+2 -3.0528318E+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 -5.254 delta_h 64.083 #kJ/mol #Internal calculation -analytic -1.0334682E+3 -1.6548356E-1 5.6600781E+4 3.7309523E+2 -3.1545409E+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 -8.6448542E+2 -1.3949671E-1 4.8173953E+4 3.1423417E+2 -2.8441316E+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 37.933 delta_h -530.893 #kJ/mol #05vid/par -analytic -2.6760736E+3 -4.3984416E-1 1.5858955E+5 9.65323E+2 -6.7021024E+6 #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 36.145 delta_h -519.393 #kJ/mol #98hol/pow -analytic -2.4324526E+3 -4.153796E-1 1.4388972E+5 8.7962252E+2 -5.9322517E+6 #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 7.739 delta_h -301.843 #kJ/mol #Internal calculation -analytic -3.6907889E+3 -5.7946183E-1 2.1161452E+5 1.3286868E+3 -1.1219514E+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 -6.8750815E+2 -1.1145992E-1 3.7309655E+4 2.5158377E+2 -2.3159598E+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 -1.573 #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 -7.452 #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 -1.658 delta_h -41.470 #kJ/mol #02hem/sea -analytic -1.6955273E+3 -2.6125135E-1 9.490602E+4 6.1222859E+2 -5.4647229E+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 17.376 #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 24.916 delta_h -210.357 #kJ/mol #01kal/mar -analytic -1.2497443E+3 -2.0462605E-1 7.0220532E+4 4.5697454E+2 -2.7205664E+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 8.256 #References = LogK/DGf: 84nri; #References = LogK/DGf: 84nri; V°: 63wyc; Tenorite CuO + 2.000H+ = 1.000Cu+2 + 1.000H2O log_k 7.640 delta_h -64.396 #kJ/mol #Internal calculation -analytic -3.1549585E+2 -4.8140447E-2 1.9607705E+4 1.1373828E+2 -8.6350264E+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 10.296 delta_h -9.040 #kJ/mol #Internal calculation -analytic -2.4736517E+3 -3.9242372E-1 1.3324475E+5 9.047091E+2 -7.5204153E+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 -1.6163303E+3 -2.5323968E-1 8.9803215E+4 5.8641469E+2 -5.4004941E+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 10.807 delta_h -26.740 #kJ/mol #82van -analytic -8.2978986E+2 -1.2422097E-1 4.7349571E+4 3.0256364E+2 -2.6536666E+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 1.759 delta_h -113.777 #kJ/mol #89cox/wag -analytic -5.2134077E+2 -8.5708486E-2 2.9799614E+4 1.8631453E+2 -1.0949333E+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 0.986 delta_h -63.035 #kJ/mol #Internal calculation -analytic -8.3409218E+2 -9.5034928E-2 4.3928881E+4 2.9662305E+2 -1.5911643E+6 #References = LogK/DGf: 78rob/hem,92cjoh; DHf/DHr: Internal calculation; S°: 78rob/hem,92cjoh; Cp: 78rob/hem,92cjoh; V°: 78rob/hem,92cjoh; Tobermorite(11A) Ca5Si6H11O22.5 + 10.000H+ + 1.500H2O = 5.000Ca+2 + 6.000H4SiO4 log_k 65.580 delta_h -372.500 #kJ/mol #00zue/feh -analytic -1.6243549E+3 -2.6787181E-1 9.6822379E+4 5.9990347E+2 -3.4992477E+6 #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 62.939 delta_h -307.420 #kJ/mol #10abla/bou -analytic -1.5237542E+3 -2.447415E-1 8.8032255E+4 5.6529749E+2 -3.0571055E+6 #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 67.249 delta_h -520.914 #kJ/mol #95rob/hem -analytic -2.7390654E+3 -4.5144381E-1 1.5810894E+5 1.0021641E+3 -6.1494397E+6 #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 -874.952 #kJ/mol #05wal/pel -analytic -1.1310906E+3 -1.822577E-1 6.1072903E+4 4.1081089E+2 -3.5386318E+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 11.553 #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 9.273 delta_h 9.560 #kJ/mol #82van -analytic -1.5229698E+3 -2.2969604E-1 8.3727672E+4 5.5556062E+2 -4.8709595E+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 77.088 delta_h -479.092 #kJ/mol #10abla/bou -analytic -2.573506E+3 -4.3832078E-1 1.450533E+5 9.5161333E+2 -5.3280247E+6 #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 -66.025 #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 -3.599 delta_h -333.921 #kJ/mol #89cox/wag -analytic -5.9578031E+2 -1.0007877E-1 3.5429929E+4 2.1240963E+2 -1.9917555E+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 -1.119804E+3 -1.335895E-1 6.8782959E+4 3.9491641E+2 -2.8317374E+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 7.711 delta_h -81.129 #kJ/mol #89cox/wag -analytic -2.0467744E+2 -3.6004832E-2 1.3267577E+4 7.3980565E+1 -3.9440265E+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 -4.842 delta_h -213.866 #kJ/mol #Internal calculation -analytic -5.2469868E+2 -8.6296615E-2 2.8066957E+4 1.8745581E+2 -1.1020781E+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 -8.512 delta_h 57.242 #kJ/mol #Internal calculation -analytic 1.1956057E+2 7.278992E-3 -1.3997644E+4 -3.8222275E+1 1.0030841E+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 -2.160 delta_h -59.250 #kJ/mol #Internal calculation -analytic -1.0269597E+3 -1.6683393E-1 5.7502935E+4 3.7069509E+2 -3.1633237E+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 -8.8571848E+2 -1.3868773E-1 4.9073707E+4 3.2146058E+2 -2.7141208E+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 45.888 delta_h -441.531 #kJ/mol #13gai/bla -analytic -1.9223485E+3 -3.1254347E-1 1.1864607E+5 6.9416321E+2 -4.8163495E+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 39.547 delta_h -377.539 #kJ/mol #15bla/vie -analytic -1.7433973E+3 -2.7353854E-1 1.0659164E+5 6.2916221E+2 -4.4296492E+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 37.445 delta_h -335.540 #kJ/mol #15bla/vie -analytic -1.6936279E+3 -2.6466982E-1 1.0232437E+5 6.1244388E+2 -4.3260939E+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 38.042 delta_h -379.809 #kJ/mol #15bla/vie -analytic -1.7824468E+3 -2.7812893E-1 1.08797E+5 6.4242701E+2 -4.5457841E+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 38.389 delta_h -355.542 #kJ/mol #15bla/vie -analytic -1.7445392E+3 -2.6999731E-1 1.0598044E+5 6.2966633E+2 -4.4535832E+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 -3.283 #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 -38.258 delta_h 48.226 #kJ/mol #02hem/sea -analytic -2.0701974E+4 -3.1805283E+0 1.147179E+6 7.4793303E+3 -6.6028469E+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 -636.207 #kJ/mol #Internal calculation -analytic -9.6499267E+2 -1.5521681E-1 3.9896865E+4 3.5036381E+2 -3.049251E+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 14.425 delta_h -246.217 #kJ/mol #96kis/nav -analytic -1.4045591E+3 -2.446591E-1 7.782647E+4 5.1134281E+2 -3.0567161E+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 12.147 #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 10.919 #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 -30.679 delta_h -791.989 #kJ/mol #Internal calculation -analytic -1.4444745E+2 -2.2174141E-2 -2.6539329E+3 5.2861713E+1 -1.3528589E+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 -1.9939263E+3 -3.2962076E-1 1.1275229E+5 7.2498498E+2 -6.2028438E+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 -1.9877501E+3 -3.2533291E-1 1.1250393E+5 7.2186031E+2 -6.2576891E+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 14.043 delta_h -88.320 #kJ/mol #78hel/del,92ajoh -analytic -3.2608155E+2 -5.6196709E-2 2.0008233E+4 1.2035952E+2 -7.1562503E+5 #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 8.885 #References = LogK/DGf: 04gab/vie; #References = LogK/DGf: 04gab/vie; V°: Default value; Wurtzite ZnS + 1.000H+ = 1.000HS- + 1.000Zn+2 log_k -9.189 delta_h -846.573 #kJ/mol #Internal calculation -analytic -9.7140841E+2 -1.5442444E-1 5.149764E+4 3.5177515E+2 -3.1030568E+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 12.238 delta_h -89.963 #kJ/mol #98cha -analytic -3.1290545E+2 -4.8807168E-2 2.1464713E+4 1.1226518E+2 -8.9695966E+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 91.342 delta_h -573.865 #kJ/mol #56new -analytic -1.9705197E+3 -3.2969573E-1 1.2545995E+5 7.2395722E+2 -4.6242043E+6 #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 21.862 #kJ/mol #05for/dro -analytic -3.3189879E+3 -5.2021513E-1 1.8590243E+5 1.1990955E+3 -1.0852329E+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 -3.689 #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 45.147 delta_h -527.740 #kJ/mol #10bbla/bou -analytic -2.3199815E+3 -3.836539E-1 1.3966093E+5 8.3827025E+2 -5.6140691E+6 #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 11.206 delta_h -88.806 #kJ/mol #89cox/wag -analytic -3.2526377E+2 -4.911508E-2 2.1606424E+4 1.168152E+2 -9.2509648E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 95rob/hem; V°: 95rob/hem; Zn3(PO4)2 Zn3(PO4)2 + 4.000H+ = 2.000H2PO4- + 3.000Zn+2 log_k 14.495 delta_h -165.908 #kJ/mol #84vie/tar, after 74avol/yag -analytic -2.304674E+3 -3.5529749E-1 1.3202677E+5 8.3298516E+2 -7.0125306E+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 8.254 delta_h -120.868 #kJ/mol #84vie/tar, after 78yag -analytic -2.3140709E+3 -3.4906406E-1 1.2978032E+5 8.359872E+2 -6.887737E+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 10.927 delta_h -139.638 #kJ/mol #84vie/tar, after 78yag -analytic -2.3091622E+3 -3.5218077E-1 1.3070767E+5 8.3448618E+2 -6.9501338E+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 24.888 #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 13.220 #References = LogK/DGf: 84nri; #References = LogK/DGf: 84nri; V°: Default value; ZnHPO4 ZnHPO4 + 1.000H+ = 1.000H2PO4- + 1.000Zn+2 log_k -2.324 delta_h -80.083 #kJ/mol #Internal calculation -analytic -9.9029785E+2 -1.5078022E-1 5.6709636E+4 3.5416085E+2 -2.9889752E+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 1.760 delta_h -91.675 #kJ/mol #Internal calculation -analytic -4.6229816E+2 -6.6648079E-2 2.7115855E+4 1.6360517E+2 -1.0532576E+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 43.830 delta_h -492.113 #kJ/mol #01sme/fra -analytic -2.0153884E+3 -3.4381262E-1 1.2267663E+5 7.29736E+2 -4.9262375E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 01sme/fra; S°: 04got; Cp: 04got; V°: 04got; Tl2O Tl2O + 2.000H+ = 2.000Tl+ + 1.000H2O log_k 27.770 delta_h -106.097 #kJ/mol #84pan/stu -analytic -1.3779969E+2 -1.8256508E-2 1.4686438E+4 5.1948012E+1 -6.0337941E+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 -5.208 delta_h 107.287 #kJ/mol #84pan/stu -analytic -7.7868005E+2 -1.2475717E-1 4.0987774E+4 2.80279E+2 -1.8078453E+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 -782.325 #kJ/mol #84pan/stu -analytic -7.7799341E+2 -1.2228162E-1 3.9977829E+4 2.8460894E+2 -2.7580346E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu; Doralcharite TlFe3(SO4)2(OH)6 + 6.000H+ = 3.000Fe+3 + 2.000SO4-2 + 1.000Tl+ + 6.000H2O log_k -2.229 delta_h 65.735 #kJ/mol #09xio -analytic -4.1086384E+3 -6.5737596E-1 2.3484562E+5 1.4809988E+3 -1.332554E+7 #References = LogK/DGf: Internal calculation; DHf/DHr: 09xio; S°: 09xio; Cp: 84pan/stu; V°: 84pan/stu; Lammuchangite TlAl(SO4)2:12H2O = 1.000Al+3 + 2.000SO4-2 + 1.000Tl+ + 12.000H2O log_k -16.502 delta_h 37.510 #kJ/mol #09xio -analytic -2.9379292E+3 -4.6277286E-1 1.6058528E+5 1.0634207E+3 -9.828777E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 09xio; S°: 09xio; Cp: 84pan/stu; V°: 84pan/stu; TlOH TlOH + 1.000H+ = 1.000Tl+ + 1.000H2O log_k 12.898 delta_h -41.580 #kJ/mol #82wag/eva -analytic -6.5037615E+1 -6.465787E-3 6.5645382E+3 2.4588317E+1 -2.6637801E+5 #References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; Cp: 82wag/eva; V°: 17abla; Tl2SO4 Tl2SO4 = 1.000SO4-2 + 2.000Tl+ log_k -3.841 delta_h 33.555 #kJ/mol #84pan/stu -analytic -1.4949834E+3 -2.3643404E-1 8.2536057E+4 5.429417E+2 -5.215045E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu; Tl2CO3 Tl2CO3 + 1.000H+ = 1.000HCO3- + 2.000Tl+ log_k 6.531 delta_h 20.627 #kJ/mol #84pan/stu -analytic -7.2446132E+2 -1.1510594E-1 3.9839149E+4 2.665531E+2 -2.4782164E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu; Tl(OH)3 Tl(OH)3 + 3.000H+ = 1.000Tl+3 + 3.000H2O log_k -1.821 #References = LogK/DGf: 52lat; #References = LogK/DGf: 52lat; V°: Default value; MSH06 Mg0.82SiO2.385(OH)0.87 + 1.640H+ + 0.745H2O = 0.820Mg+2 + 1.000H4SiO4 log_k 9.120 delta_h -71.083 #kJ/mol #Internal calculation -analytic -3.5739156E+2 -5.4264042E-2 2.1203118E+4 1.2966146E+2 -8.2349206E+5 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; MSH12 Mg1.07SiO2.075(OH)1.99 + 2.140H+ = 1.070Mg+2 + 1.000H4SiO4 + 0.065H2O log_k 12.730 delta_h -83.582 #kJ/mol #Internal calculation -analytic -4.4363918E+2 -6.5039211E-2 2.6374842E+4 1.6120704E+2 -1.0309293E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C0.7SH Ca1.4Si2O5.9496H1.0992:1.378H2O + 2.800H+ + 0.6724H2O = 1.400Ca+2 + 2.000H4SiO4 log_k 17.730 delta_h -102.902 #kJ/mol #Internal calculation -analytic -4.5480973E+2 -7.5079405E-2 2.6613555E+4 1.6810221E+2 -9.1522423E+5 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C0.8SH Ca1.6Si2O6.1698H1.1396:1.6122H2O + 3.200H+ + 0.218H2O = 1.600Ca+2 + 2.000H4SiO4 log_k 21.800 delta_h -126.127 #kJ/mol #Internal calculation -analytic -5.0535129E+2 -8.2688453E-2 3.042881E+4 1.8652259E+2 -1.0482162E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C0.9SH Ca1.8Si2O6.4048H1.2096:1.7014H2O + 3.600H+ = 1.800Ca+2 + 2.000H4SiO4 + 0.1062H2O log_k 25.448 delta_h -147.603 #kJ/mol #Internal calculation -analytic -5.5886361E+2 -9.0915164E-2 3.4314441E+4 2.0600546E+2 -1.1929862E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1SH Ca2Si2O6.6436H1.2872:1.7542H2O + 4.000H+ = 2.000Ca+2 + 2.000H4SiO4 + 0.3978H2O log_k 29.464 delta_h -171.346 #kJ/mol #Internal calculation -analytic -6.1312207E+2 -9.9296646E-2 3.8359056E+4 2.2575524E+2 -1.3407073E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1.1SH Ca2.2Si2O6.8821H1.3642:1.867H2O + 4.400H+ = 2.200Ca+2 + 2.000H4SiO4 + 0.7491H2O log_k 33.727 delta_h -196.114 #kJ/mol #Internal calculation -analytic -6.6617853E+2 -1.0740309E-1 4.2391199E+4 2.450789E+2 -1.4831689E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1.2SH Ca2.4Si2O7.1203H1.4406:2.0692H2O + 4.800H+ = 2.400Ca+2 + 2.000H4SiO4 + 1.1895H2O log_k 37.938 delta_h -220.008 #kJ/mol #Internal calculation -analytic -7.1744469E+2 -1.1509923E-1 4.6279348E+4 2.6376796E+2 -1.6177839E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1.3SH Ca2.6Si2O7.3957H1.5914:2.1702H2O + 5.200H+ = 2.600Ca+2 + 2.000H4SiO4 + 1.5659H2O log_k 42.397 delta_h -245.273 #kJ/mol #Internal calculation -analytic -7.7091003E+2 -1.2313669E-1 5.0356075E+4 2.8326094E+2 -1.7588389E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1.4SH Ca2.8Si2O7.687H1.774:2.2274H2O + 5.600H+ = 2.800Ca+2 + 2.000H4SiO4 + 1.9144H2O log_k 46.925 delta_h -270.917 #kJ/mol #Internal calculation -analytic -8.2532625E+2 -1.3132256E-1 5.4503203E+4 3.0310139E+2 -1.9026944E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1.5SH Ca3Si2O7.9783H1.9566:2.2848H2O + 6.000H+ = 3.000Ca+2 + 2.000H4SiO4 + 2.2631H2O log_k 51.447 delta_h -296.525 #kJ/mol #Internal calculation -analytic -8.7973847E+2 -1.395075E-1 5.8648226E+4 3.2294042E+2 -2.0465323E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1.6SH Ca3.2Si2O8.2682H2.1364:2.3446H2O + 6.400H+ = 3.200Ca+2 + 2.000H4SiO4 + 2.6128H2O log_k 55.941 delta_h -321.982 #kJ/mol #Internal calculation -analytic -8.3735546E+2 -1.3511831E-1 5.7036948E+4 3.0831552E+2 -1.8336474E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/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 17.999 delta_h -108.203 #kJ/mol #Internal calculation -analytic -4.699089E+2 -7.7782293E-2 2.7654279E+4 1.7344013E+2 -9.6187107E+5 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/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 21.633 delta_h -129.042 #kJ/mol #Internal calculation -analytic -5.2085275E+2 -8.5478093E-2 3.1366908E+4 1.9200393E+2 -1.0965191E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C0.9A0.01SH Ca1.8Al0.04Si2O6.4696H1.2192:1.708H2O + 3.720H+ = 0.040Al+3 + 1.800Ca+2 + 2.000H4SiO4 + 0.1776H2O log_k 25.654 delta_h -152.713 #kJ/mol #Internal calculation -analytic -5.7459058E+2 -9.3755329E-2 3.537949E+4 2.1156691E+2 -1.2422548E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1A0.01SH Ca2Al0.04Si2O6.7077H1.2954:1.7598H2O + 4.120H+ = 0.040Al+3 + 2.000Ca+2 + 2.000H4SiO4 + 0.4675H2O log_k 29.973 delta_h -178.207 #kJ/mol #Internal calculation -analytic -6.2886578E+2 -1.0214375E-1 3.9516599E+4 2.3132216E+2 -1.3901103E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/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 34.274 delta_h -203.124 #kJ/mol #Internal calculation -analytic -6.8167084E+2 -1.1019548E-1 4.3542779E+4 2.5055626E+2 -1.5315271E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/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 38.465 delta_h -226.944 #kJ/mol #Internal calculation -analytic -7.3309682E+2 -1.1792484E-1 4.7435764E+4 2.6930249E+2 -1.6667755E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/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 42.832 delta_h -251.718 #kJ/mol #Internal calculation -analytic -7.8670951E+2 -1.2599309E-1 5.1494849E+4 2.8884814E+2 -1.8084176E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/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 47.252 delta_h -276.779 #kJ/mol #Internal calculation -analytic -8.4113778E+2 -1.3418923E-1 5.5612366E+4 3.0869174E+2 -1.9524737E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1.5A0.01SH Ca3Al0.04Si2O8.0399H1.9598:2.2858H2O + 6.120H+ = 0.040Al+3 + 3.000Ca+2 + 2.000H4SiO4 + 2.3257H2O log_k 51.685 delta_h -301.918 #kJ/mol #Internal calculation -analytic -8.0522772E+2 -1.3064855E-1 5.4368643E+4 2.9637122E+2 -1.7635145E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/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 18.465 delta_h -116.266 #kJ/mol #Internal calculation -analytic -4.9181375E+2 -8.1665145E-2 2.9180312E+4 1.8118348E+2 -1.0285614E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/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 22.347 delta_h -138.807 #kJ/mol #Internal calculation -analytic -5.4374652E+2 -8.9580366E-2 3.3035982E+4 2.0009889E+2 -1.1674018E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C0.9A0.025SH Ca1.8Al0.1Si2O6.5669H1.2338:1.7244H2O + 3.900H+ = 0.100Al+3 + 1.800Ca+2 + 2.000H4SiO4 + 0.2913H2O log_k 26.541 delta_h -163.639 #kJ/mol #Internal calculation -analytic -5.9805145E+2 -9.7985338E-2 3.7140315E+4 2.1986322E+2 -1.315579E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1A0.025SH Ca2Al0.1Si2O6.8039H1.3078:1.774H2O + 4.300H+ = 0.100Al+3 + 2.000Ca+2 + 2.000H4SiO4 + 0.5779H2O log_k 30.922 delta_h -189.516 #kJ/mol #Internal calculation -analytic -6.5236552E+2 -1.0638756E-1 4.1299671E+4 2.3963151E+2 -1.463701E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1.1A0.025SH Ca2.2Al0.1Si2O7.0406H1.3812:1.93H2O + 4.700H+ = 0.100Al+3 + 2.200Ca+2 + 2.000H4SiO4 + 0.9706H2O log_k 35.178 delta_h -213.999 #kJ/mol #Internal calculation -analytic -7.0454912E+2 -1.1430126E-1 4.5269142E+4 2.5864468E+2 -1.6024806E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1.2A0.025SH Ca2.4Al0.1Si2O7.2809H1.4618:2.1052H2O + 5.100H+ = 0.100Al+3 + 2.400Ca+2 + 2.000H4SiO4 + 1.3861H2O log_k 39.460 delta_h -238.434 #kJ/mol #Internal calculation -analytic -7.5636538E+2 -1.2211461E-1 4.9215567E+4 2.7753006E+2 -1.7393322E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1.3A0.025SH Ca2.6Al0.1Si2O7.5579H1.6158:2.1808H2O + 5.500H+ = 0.100Al+3 + 2.600Ca+2 + 2.000H4SiO4 + 1.7387H2O log_k 43.944 delta_h -263.978 #kJ/mol #Internal calculation -analytic -8.1034646E+2 -1.3026358E-1 5.3335066E+4 2.9720685E+2 -1.8825162E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1.4A0.025SH Ca2.8Al0.1Si2O7.8451H1.7902:2.2346H2O + 5.900H+ = 0.100Al+3 + 2.800Ca+2 + 2.000H4SiO4 + 2.0797H2O log_k 48.414 delta_h -289.389 #kJ/mol #Internal calculation -analytic -7.8042196E+2 -1.2751558E-1 5.2461083E+4 2.8701572E+2 -1.7158666E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1.5A0.025SH Ca3Al0.1Si2O8.1324H1.9648:2.2886H2O + 6.300H+ = 0.100Al+3 + 3.000Ca+2 + 2.000H4SiO4 + 2.421H2O log_k 52.886 delta_h -314.809 #kJ/mol #Internal calculation -analytic -8.2758634E+2 -1.3478154E-1 5.6166021E+4 3.0427149E+2 -1.83337E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/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 19.900 delta_h -133.257 #kJ/mol #Internal calculation -analytic -5.2768921E+2 -8.7991406E-2 3.187456E+4 1.9386485E+2 -1.136936E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/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 23.764 delta_h -156.278 #kJ/mol #Internal calculation -analytic -5.8160902E+2 -9.6350235E-2 3.5864147E+4 2.1348635E+2 -1.2842534E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C0.9A0.05SH Ca1.8Al0.2Si2O6.7289H1.2578:1.7572H2O + 4.200H+ = 0.200Al+3 + 1.800Ca+2 + 2.000H4SiO4 + 0.4861H2O log_k 28.379 delta_h -183.860 #kJ/mol #Internal calculation -analytic -6.3704272E+2 -1.0501076E-1 4.0174046E+4 2.3365125E+2 -1.4373162E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1A0.05SH Ca2Al0.2Si2O6.9642H1.3284:1.8024H2O + 4.600H+ = 0.200Al+3 + 2.000Ca+2 + 2.000H4SiO4 + 0.7666H2O log_k 33.085 delta_h -211.659 #kJ/mol #Internal calculation -analytic -6.9143688E+2 -1.134389E-1 4.443832E+4 2.534468E+2 -1.5859379E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1.1A0.05SH Ca2.2Al0.2Si2O7.1991H1.3982:2.02H2O + 5.000H+ = 0.200Al+3 + 2.200Ca+2 + 2.000H4SiO4 + 1.2191H2O log_k 37.610 delta_h -237.307 #kJ/mol #Internal calculation -analytic -6.7753942E+2 -1.1265172E-1 4.4549741E+4 2.4893329E+2 -1.480404E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1.2A0.05SH Ca2.4Al0.2Si2O7.4415H1.483:2.1564H2O + 5.400H+ = 0.200Al+3 + 2.400Ca+2 + 2.000H4SiO4 + 1.5979H2O log_k 42.303 delta_h -264.305 #kJ/mol #Internal calculation -analytic -7.2288188E+2 -1.196934E-1 4.8241853E+4 2.6551379E+2 -1.5937687E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1.3A0.05SH Ca2.6Al0.2Si2O7.7201H1.6402:2.1962H2O + 5.800H+ = 0.200Al+3 + 2.600Ca+2 + 2.000H4SiO4 + 1.9163H2O log_k 47.278 delta_h -292.853 #kJ/mol #Internal calculation -analytic -7.7031714E+2 -1.2705732E-1 5.2126066E+4 2.8285983E+2 -1.7131993E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1.4A0.05SH Ca2.8Al0.2Si2O8.0032H1.8064:2.2448H2O + 6.200H+ = 0.200Al+3 + 2.800Ca+2 + 2.000H4SiO4 + 2.248H2O log_k 52.187 delta_h -320.883 #kJ/mol #Internal calculation -analytic -8.1758219E+2 -1.3436375E-1 5.5973338E+4 3.0014851E+2 -1.8315015E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; C1.5A0.05SH Ca3Al0.2Si2O8.2864H1.9728:2.2938H2O + 6.600H+ = 0.200Al+3 + 3.000Ca+2 + 2.000H4SiO4 + 2.5802H2O log_k 57.105 delta_h -348.954 #kJ/mol #Internal calculation -analytic -8.6483923E+2 -1.4166794E-1 5.9822317E+4 3.1743442E+2 -1.94976E+6 #References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie; Cu(OH)2 Cu(OH)2 + 2.000H+ = 1.000Cu+2 + 2.000H2O log_k 8.669 delta_h -62.657 #kJ/mol #Internal calculation -analytic -2.9452318E+2 -4.3540153E-2 1.845324E+4 1.0634043E+2 -7.8678568E+5 #References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 98cha; Cp: 98cha; V°: 84pan/stu; CuF CuF = 1.000Cu+ + 1.000F- log_k -4.712 delta_h -129.724 #kJ/mol #84pan/stu -analytic -7.9465376E+2 -1.2605647E-1 4.2205101E+4 2.8862866E+2 -2.5089325E+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 -1.6993413E+3 -2.7172468E-1 9.5415187E+4 6.1527699E+2 -5.4239787E+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 -4.551 delta_h -15.030 #kJ/mol #Internal calculation -analytic -1.6573332E+3 -2.6149983E-1 9.063817E+4 6.0052159E+2 -5.262911E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 07gre/per; Nantokite CuCl = 1.000Cl- + 1.000Cu+ log_k -6.800 delta_h -103.430 #kJ/mol #Internal calculation -analytic -7.2286759E+2 -1.1683599E-1 3.6968263E+4 2.6376791E+2 -2.2904645E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu; Melanothallite CuCl2 = 1.000Cu+2 + 2.000Cl- log_k 3.730 delta_h -48.708 #kJ/mol #Internal calculation -analytic -1.5643025E+3 -2.5355698E-1 8.7639994E+4 5.6848485E+2 -5.066404E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 98cha; Cp: 98cha; V°: 84pan/stu; Atacamite Cu4Cl2(OH)6 + 6.000H+ = 2.000Cl- + 4.000Cu+2 + 6.000H2O log_k 14.918 delta_h -142.094 #kJ/mol #Internal calculation -analytic -2.4620526E+3 -3.8707733E-1 1.3878896E+5 8.9345209E+2 -7.4591846E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 90rob/cam; Anilite Cu1.75S + 1.000H+ = 1.500Cu+ + 0.250Cu+2 + 1.000HS- log_k -31.220 delta_h -910.262 #kJ/mol #Internal calculation -analytic -8.87995E+2 -1.392376E-1 3.877071E+4 3.2302246E+2 -2.759868E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 95rob/hem; Cp: 00pui; V°: 95rob/hem; Djurleite Cu1.934S + 1.000H+ = 1.868Cu+ + 0.066Cu+2 + 1.000HS- log_k -33.330 delta_h -943.325 #kJ/mol #Internal calculation -analytic -8.6915799E+2 -1.3576826E-1 3.6698016E+4 3.1661844E+2 -2.6872612E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 95rob/hem; Cp: 00pui; V°: 95rob/hem; Cu2SO4 Cu2SO4 = 2.000Cu+ + 1.000SO4-2 log_k -1.387 delta_h -307.302 #kJ/mol #00pui -analytic -1.5682312E+3 -2.4863215E-1 8.6686198E+4 5.6886229E+2 -5.1011765E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 00pui; S°: 00pui; Cp: 84pan/stu; V°: 84pan/stu; Chalcanthite CuSO4:5H2O = 1.000Cu+2 + 1.000SO4-2 + 5.000H2O log_k -2.688 delta_h 6.384 #kJ/mol #Internal calculation -analytic -1.6525922E+3 -2.4199862E-1 8.9694992E+4 5.9749946E+2 -5.0896659E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 95rob/hem; V°: 95rob/hem; Brochantite Cu4SO4(OH)6 + 6.000H+ = 4.000Cu+2 + 1.000SO4-2 + 6.000H2O log_k 15.535 delta_h -175.083 #kJ/mol #Internal calculation -analytic -2.5944891E+3 -4.0655611E-1 1.4781572E+5 9.3942886E+2 -7.9197585E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 95rob/hem; V°: 95rob/hem; Langite Cu4SO4(OH)6:H2O + 6.000H+ = 4.000Cu+2 + 1.000SO4-2 + 7.000H2O log_k 17.487 delta_h -163.966 #kJ/mol #Internal calculation -analytic -2.5330455E+3 -3.9031759E-1 1.4504863E+5 9.1671363E+2 -7.8171334E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 90rob/cam; Antlerite Cu3SO4(OH)4 + 4.000H+ = 3.000Cu+2 + 1.000SO4-2 + 4.000H2O log_k 8.907 delta_h -128.158 #kJ/mol #Internal calculation -analytic -2.2359098E+3 -3.5291038E-1 1.2793027E+5 8.0874917E+2 -7.1328777E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 90rob/cam; Cu2SO5 Cu2SO5 + 2.000H+ = 2.000Cu+2 + 1.000SO4-2 + 1.000H2O log_k 10.303 delta_h -137.222 #kJ/mol #00pui -analytic -1.9763415E+3 -3.1468292E-1 1.146949E+5 7.1443294E+2 -6.403795E+6 #References = LogK/DGf: Internal calculation; DHf/DHr: 00pui; S°: 00pui; Cp: 98cha; V°: 98cha; Cu4(NO3)2(OH)6 Cu4(NO3)2(OH)6 + 6.000H+ = 4.000Cu+2 + 2.000NO3- + 6.000H2O log_k 14.498 delta_h 668.973 #kJ/mol #Internal calculation -analytic -2.4055117E+3 -3.7174769E-1 1.349721E+5 8.7333888E+2 -7.3668105E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: Default value; Connellite Cu37Cl8(SO4)2(OH)62:8H2O + 62.000H+ = 8.000Cl- + 37.000Cu+2 + 2.000SO4-2 + 70.000H2O log_k 187.978 delta_h -1554.394 #kJ/mol #Internal calculation -analytic -1.8625944E+4 -2.8480997E+0 1.0723675E+6 6.7442025E+3 -5.5269055E+7 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 90rob/cam; CuCO3 CuCO3 + 1.000H+ = 1.000HCO3- + 1.000Cu+2 log_k -1.120 delta_h -19.418 #kJ/mol #Internal calculation -analytic -9.2673067E+2 -1.49069E-1 5.083938E+4 3.3633843E+2 -2.9075306E+6 #References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: Default value; # PMATCH GASES Ar(g) Ar = 1.000Ar log_k -2.853 delta_h -12.011 #kJ/mol #Internal calculation -analytic 1.0247191E+2 2.1560262E-2 -6.095971E+3 -3.9305313E+1 5.2903324E+5 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig; Br2(g) Br2 + 2.500O2 + 1.000H2O = 2.000BrO3- + 2.000H+ log_k -40.271 delta_h 5.797 #kJ/mol #89cox/wag -analytic -1.5145706E+3 -2.465034E-1 8.0920616E+4 5.4319619E+2 -6.0196789E+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 -876.620 #kJ/mol #98cha -analytic 2.1637571E+2 3.7708515E-2 -1.3407146E+4 -7.9788351E+1 1.0603261E+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 -43.201 delta_h -54.397 #kJ/mol #By convention -analytic -1.4812619E+3 -2.3817595E-1 7.5490338E+4 5.3237005E+2 -5.4614111E+6 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: Default value; CO(g) CO = 1.000CO log_k -3.028 delta_h -287.503 #kJ/mol #89cox/wag -analytic 2.039238E+2 3.3602959E-2 -1.3511309E+4 -7.4398533E+1 1.1059207E+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 -7.819 delta_h -10.590 #kJ/mol #89cox/wag -analytic -5.9614375E+2 -9.6336782E-2 3.2735447E+4 2.1383481E+2 -1.9439521E+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 55.653 delta_h -390.937 #kJ/mol #By convention -analytic -1.3156268E+3 -2.1051755E-1 9.1021366E+4 4.7499188E+2 -4.1405003E+6 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: Default value; H2(g) H2 + 0.500O2 = 1.000H2O log_k 43.000 delta_h -279.763 #kJ/mol #By convention -analytic -7.299061E+1 -9.6878407E-3 1.9260027E+4 2.3600172E+1 -3.6591724E+5 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig; H2O(g) H2O = 1.000H2O log_k 1.505 delta_h -44.004 #kJ/mol #89cox/wag -analytic 1.1010218E-1 3.0216325E-3 1.8000225E+3 -2.5376E+0 6.5365932E+4 #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 -864.473 #kJ/mol #89cox/wag -analytic -7.7128067E+2 -1.2255574E-1 4.1398045E+4 2.7827883E+2 -2.4543487E+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 -6.3720544E+2 -1.0269616E-1 3.8570831E+4 2.2966743E+2 -2.0926558E+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 1.0815677E+2 2.2564966E-2 -6.7332064E+3 -4.102242E+1 5.153555E+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 -1827.166 #kJ/mol #82wag/eva -analytic 1.186317E+2 2.4722556E-2 -6.5145222E+3 -4.4108205E+1 1.227984E+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 -170.933 #kJ/mol #89cox/wag -analytic 1.4728151E+2 2.7804284E-2 -1.0282302E+4 -5.4875078E+1 1.2251434E+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 13.954 delta_h 103.527 #kJ/mol #89cox/wag -analytic -1.5955227E+3 -2.5854904E-1 1.0217236E+5 5.7111378E+2 -6.1610666E+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 1.5418728E+2 2.7181776E-2 -1.0136035E+4 -5.695289E+1 8.9175512E+5 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: Default value; N2(g) N2 = 1.000N2 log_k -3.181 delta_h 676.156 #kJ/mol #By convention -analytic 1.912961E+2 3.2724035E-2 -1.2195929E+4 -7.0432479E+1 9.7360502E+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 1.0930257E+2 2.2478035E-2 -6.8539596E+3 -4.1431936E+1 5.4794524E+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 -1.0678754E+2 -7.888845E-3 8.4083629E+3 3.5264317E+1 -4.0102718E+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 1.7801864E+2 3.029253E-2 -1.1471782E+4 -6.5497358E+1 9.4241768E+5 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig; S2(g) S2 + 2.000H2O = 2.000HS- + 1.000O2 + 2.000H+ log_k -76.313 delta_h -1339.219 #kJ/mol #89cox/wag -analytic -1.1526864E+3 -1.8611104E-1 4.0487117E+4 4.1853952E+2 -3.5184361E+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 -8.935 delta_h -320.633 #kJ/mol #89cox/wag -analytic -9.7001743E+2 -1.5605541E-1 5.6939963E+4 3.4593396E+2 -3.4986818E+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 2.4653608E+2 3.823462E-2 -1.6842529E+4 -8.8954045E+1 1.4495983E+6 #References = S°: 89cox/wag; Cp: 89cox/wag; V°: Default value; References # 00bru/dur Bruno J. and Duro L. (2000) Reply to W. Hummel's comment on and correction to 'On the influence of carbonate in mineral dissolution: 1. The thermodynamics and kinetics of hematite dissolution in bicarbonate solutions at T = 25 C' by J. Bruno, W. Stumm, P. Wersin, and F. Brandberg. Geochimica et Cosmochimica Acta 64(12), 2173-2176. # 00bla/bid Bladh K.W., Bideaux R.A., Anthony-Morton E., Nichols B.G. (2000) The Handbook of Mineralogy Volume IV, Mineralogical Society of America. # 00cou Courault, A. C., 2000, Simulation experimentale des C-S-H dans les betons modernes : etude de la composition et des proprietes a l'equilibre dans des milieux complexes : Ph.D. thesis, Universite de Bourgogne, Dijon, 201 p. # 00cra/eig Crannell B.S., Eighmy T.T., Krzanowski J.E., Eusden J.D. Jr., Shaw E.L., Francis C.A., 2000, Heavy metal stabilization in municipal solid waste combustion bottom ash using soluble phosphate. Waste Manag., 20, 135-148 # 00deb/cas Deberdt S., Castet S., Dandurand J.L. and Harrichoury J.C., 2000. Potentiometric study of Gd- and Yb-acetate complexing in the temperature range 25-80 C. Chemical Geology, Volume 167, Issues 1-2, 5 June 2000, Pages 75-88 # 00gun/arn Gunnarson I., and Arnorsson S., 2000. Amorphous silica solubility and the thermodynamic properties of H4SiO4 in the range of 0 to 350 C at Psat. Geochimica et Cosmochimica Acta, 64, p. 2295-2307. # 00lyd Lyde D.R., 2000. CRC Handbook of Chemistry and Physics, 2000-200. CRC Press # 00mer/bon Merlino, S., Bonaccorsi, E., and Armbruster, T., 2000, The real structure of clinotobermorite and tobermorite 9 A: OD character, polytypes, and structural relationships: European Journal of Mineralogy, v. 12, p. 411-429. # 00per/pal Perkins R.B. and Palmer C.D., 2000. Solubility of Ca6[Al(OH)6]2(CrO4)3.26 H2O, the chromate analog of ettringite; 5-75 C. Applied Geochem., 15, p. 1203-1218. # 00rea/fag Reardon E.J., and Fagan R., 2000. The calcite/portlandite phase boundary: enhanced calcite solubility at high pH. 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Thermodynamic Description of Chloride, Hydrosulfide, and Hydroxo Complexes of Ag(I), Cu(I), and Au(I) at Temperatures of 25-500oC and Pressures of 1-2000 bar. Geochem. Intern., v. 39, No 10, p. 990-1006. Abstract # 01aya/mad Ayati M., and Madsen H.E.L., 2001. Solubility Product of the Cadmium Phosphate Cd5H2(PO4)4.4H2O at 37 C. J. Chem. Eng. Data, 46, p. 113 116. # 01ben/jem Ben Cherifa A., and Jemal M., 2001. Synthese et thermochimie de phosphates au cadmium: Partie I: Cas du phosphate tricadmique et de la chlorapatite cadmiee. Thermochimica Acta, 366, p. 1 6. # 01ben/pal Benezeth P., Palmer D.A., and Wesolowski D.J., 2001. Aqueous high-temperature solubility studies. II. The solubility of boehmite at 0.03 m ionic strength as a function of temperature and pH as determined by in situ measurements. Geochimica et Cosmochimica Acta, 65, p. 2097-2111 # 01fel/cho Felmy A. R., Cho H., Rustad J. R., and Mason M. J. (2001) An aqueous thermodynamic model for polymerized silica species to high ionic strength. Journal of Solution Chemistry 30(6), 509-525. # 01fia/nav Fialips C.-I., Navrotsky A. and Petit S. (2001) - Crystal properties and energetics of synthetic kaolinite. American Mineralogist, 86, p. 304.311. # 01fri/neu Fridriksson, T., Neuhoff, P. S., Arnorsson, S., and Bird, D. K., 2001, Geological constraints on the thermodynamic properties of the stilbite-stellerite solid solution in low-grade metabasalts. Geochimica Cosochimica Acta, v. 65, p. 3993-4008. # 01gas/aza Gaskova O., Azaroual M., Piantone, P., Lassin A. (2001) - Arsenic behaviour in subsurface hydrogeochemical systems - A critical review of thermodynamic data forarsenic minerals and aqueous species - A compilation of arsenic surface complexation reactions. BRGM Report RP-51356-FR, 78 p. # 01kal/mar Kahl W.A. and Maresch W.V., 2001. Enthalpies of formation of tremolite and talc by high-temperature solution calorimetry-a consistent picture. American Mineralogist, 86, p. 1345-1357 # 01mer/vie Lionel Mercury, Philippe Vieillard, Yves Tardy, 2001. Thermodynamics of ice polymorphs and 'ice-like' water in hydrates and hydroxides. Applied Geochemistry, Volume 16, Issue 2, February 2001, Pages 161-181 # 01per/hef Pererra N.W., Hefter G., and Sipos P.M., 2001. An Investigation of the Lead(II)-Hydroxide System. Inorg. Chem., 40, p. 3974-3978. # 01per/pal Perkins R.B. and Palmer C.D., 2001. Solubility of chromate hydrocalumite (3CaO.Al2O3.CaCrO4.nH2O) at 5-75 C. Cement and Concrete Research, 31, pp. 983-992. # 01pre/gam Preis W., and Gamsjager H., 2001. Invited Review Thermodynamic Investigation of Phase Equilibria in Metal Carbonate Water Carbon Dioxide Systems. Monatshefte fur Chemie, 132, p. 1327 1346. # 01sch/sho Schulte M.D., Shock E.L. and Wood R.H., 2001. The temperature dependence of the standard-state thermodynamic properties of aqueous nonelectrolytes. Geochimica et Cosmochimica Acta, 65, 3919-3930 # 01ste A. Stefansson, 2001Dissolution of primary minerals of basalt in natural waters: I. Calculation of mineral solubilities from 0 C to 350 C. Chemical Geology, Volume 172, Issues 3-4, 225-250 # 01tag/sch Tagirov B., and Schott J., 2001. Aluminum speciation in crustal fluids revisited Geochim. Cosmochim. Acta (Helgeson's special issue), 65, p. 3965 3992. # 01vid/par Vidal, O., Parra, T. and Trotet, F (2001): A thermodynamic model for Fe-Mg aluminous chlorite using data from phase equilibrium experiments and natural pelitic assemblages in the 100-600 C, 1-25 kbar P-T range. Am. J. Sci., 301, 557-592. # 01wen/mus Wentzel M.C., Musvoto E.V. and Ekama G.A., 2001. Application of integrated chemical - physical processes modelling to aeration treatment of anaerobic digester liquors. Environmental Technology, 22, 1287-1293 # 02cho/sea Chou, I.M., Seal, R.R., Hemingway, B.S. (2002) Determination of melanterite-rozenite and chalcanthite-bonattite equilibria by humidity measurements at 0.1 MPa, Am. Mineral. 87, 108-114. # 02dut Dutrizac J.E., 2002. Calcium sulphate solubilities in simulated zinc processing solutions. Hydrometallurgy, 65, p. 109-135. # 02hem/sea Hemingway, B.S., Seal, R.R., II, and Chou, I-M. (2002) Thermodynamic data for modeling acid mine drainage problems. Part I. Selected soluble iron-sulfate minerals. U.S. Geological Survey Open File Report 02 - 161, 13 p. # 02hum/ber NAGRA Hummel W., Berner U., Curti E., Pearson F.J., and Thoenen T., 2002. Nagra/PSI Chemical Thermodynamic Data Base 01/01. Universal Publishers (uPUBL.com), 600 pp. # 02mig/will Migdisov Art A. and Williams-Jones A. E. 2002. A spectrophotometric study of neodymium(III) complexation in chloride solutions. Geochimica et Cosmochimica Acta, 66, 4311-4323 # 02ogo/mel Ogorodova L.P., Melchakova L.V., Kiseleva I.A. 2002 Enthalpies of formation of formation of natural zeolites - gismondine, garronite and amicite. Experimental mineralogy, petrology and geochemistry annual seminar 2002, April 16-17, 2002, Moscow # 02par/vid Parra, T., Vidal, O., and Agard, P., 2002, A thermodynamic model for fe-mg dioctahedral k white micas using data from phase-equilibrium experiments and natural pelitic assemblages: Contribution to Mineralogy and Petrology, v. 143, p. 706-732. # 03alt/met Altamaier M., Metz V., Neck V., Muller R.and Fanghanel Th., 2003. Solid liquid equilibria of Mg(OH)2(cr) and Mg2(OH)3Cl.4H2O(cr) in the system Mg Na H OH Cl H2O at 25 C. Geochimica et Cosmochimica Acta, 67, p. 3595-3601. # 03bou Bourbon X., 2003. Chemical conceptual model for cement based materials ~ mineral phases and thermodynamic data. Technical report C.NT.ASCM.03.026, 14 p. # 03chr Christov C., 2003. Thermodynamic study of the aqueous sodium, potassium, and chromium chloride systems at the temperature 298.15K. J. Chem. Thermodynamics, 35, p. 909-917. # 03dea Dean J.A. 2003. Lange's Handbook of chemistry, 2nd edition. Science and technology press: Beijing (in Chinese). # 03dro/bar Drouet C. , Baron D. , Navrotsky A. (2003) On the thermochemistry of the solid solution between jarosite and its chromate analog. American Mineralogist, 88, 1949-1954 # 03dro/nav Drouet C, Navrotsky A (2003) Synthesis, characterization and thermochemistry of K-Na-H3O jarosites. Geochim Cosmochim Acta 67:2063-2076 # 03fre/voi Freyer D., and Voigt W., 2003. Invited Review : Crystallization and Phase Stability of CaSO4 and CaSO4 - Based Salts. Monatshefte fur Chemie, 134, p. 693-719. # 03maj/gre Majzlan., J., Grevel, K.-D., Navrotsky, A., (2003) Thermodynamics of iron oxides. H. Enthalpies of formation and relative stability of goethite (a-FeOOH), lepidocrocite (y-FeOOH), and maghemite (y-Fe2O3). American Mineralogist 88, 855-859. # 03web/hun Weber C.F., and Hunt R.D., 2003. Modeling Alkaline Silicate Solutions at 25 C. Ind. Eng. Chem. Res., 42, p. 6970 6976. # 03wil/wal Wilkin, R. T., D. Wallschlager, and R. G. Ford. 2003. Speciation of arsenic in sulfidic waters. Geochem. Trans. 4:1-7. # 03zot/shi Zotov A. V., Shikina N. D. and Akinfiev N. N., 2003. Thermodynamic properties of the Sb(III) hydroxide complex Sb(OH)3(aq) at hydrothermal conditions. Geochimica et Cosmochimica Acta, Volume 67, 1821-1836 # 04chi Chivot J., 2004. Thermodynamique des produits de corrosion. Fonctions thermodynamiques de solubilite, diagrammes E-pH des systemes Fe-H2O, Fe-CO2-H2O, Fe-S-H2O, Cr-H2O et Ni-H2O en fonction de la temperature. Document ANDRA, Collection Sciences et Techniques. # 04chr Christov C., 2004. 'Pitzer ion-interaction parameters for Fe(II) and Fe(III) in the quinary {Na + K + Mg + Cl + SO4 + H2O} system at T = 298.15 K.' J. Chem. Thermod. 36: 223-235. # 04ess/fos Essington M.E., Foss J.E. and Roh Y., 2004. The soil mineralogy of lead at Horace's Villa. Soil Sci. Soc. Am. J., 68, p. 979 993. # 04eva Evans B. (2004) The serpentine multisystem revisited: Chrysotile is metastable, International Geology Review, 46, 479-506 # 04fab/sax Fabrichnaya O., Saxena S.K., Richet P. and Westrum E.F. (Eds), 2004. Thermodynamic data, models, and phase diagrams in multicomponent oxide systems. ISBN 3-540-14018-2 Springer Verlag Berlin Heidelberg New York, 198 p. # 04gab/vie Gaboreau S. and Vieillard Ph. (2004). Prediction of Gibbs free energies of formation of minerals of the alunite supergroup. Geochimica and Cosmochimica Acta, 68, 3307-3316 # 04gar/muc Alain Garand, Alfonso Mucci. The solubility of fluorite as a function of ionic strength and solution composition at 25 C and 1 atm total pressure. Marine Chemistry, Volume 91, Issues 1-4, 15 November 2004, Pages 27-35 # 04loo/pas Loos D., Pasel C., Luckas M., Schmidt Klaus G., and Herbell J.D., 2004. Experimental investigation and modelling of the solubility of calcite and gypsum in aqueous systems at higher ionic strength. Fluid Phase Equilibria, 219, p. 219-229. # 04maj/nav Majzlan, J., Navrotsky, A., Schwertmann, U. (2004) Thermodynamics of iron oxides: Part III. Enthalpies of formation and stability of ferrihydrite (~Fe(OH)3), schwertmannite (~FeO(OH)3/4(SO4)1/8), and e-Fe2O3. Geochimica et Cosmochimica Acta 68, 1049-1059 # 04maj/ste Majzlan, J., Stevens, R., Boerio-Goates, J., Woodfield, B.F., Navrotsky, A., Burns, P.C., Crawford, M.K., Amos, T.G. (2004) Thermodynamic properties, low-temperature heat capacity anomalies, and single crystal X-ray refinement of hydronium jarosite, (H3O)Fe3(SO4)2(OH)6. Physics and Chemistry of Minerals 31, 518-531 # 04neu/hov Neuhoff, P.S., Hovis, G.L., Balassone, G., and Stebbins, J.F., 2004, Thermodynamic properties of analcime solid solutions. American Journal of Science, v. 304, p. 21-66. # 04roi Roine A., 2004. HSC Chemistry: v5.0, Outokompu Research Oy: Pori. # 04smi/mar Smith R.M., and Martell A.E., 2004. NIST Critically Selected Stability Constants of Metals Complexes Database, V 8.0. National Institute of Standards and Technology (NIST); Texas A and M University. # 04wan/li Wang T. and Li Z., 2004. Some thermodynamic properties of calcium chromate. J. Chem. Eng. Data, 49, p. 1300-1302. # 04xu/app Xu, T, J. A. Apps, and K. Pruess, Numerical simulation of CO2 disposal by mineral trapping in deep aquifers, Applied Geochemistry, 19, 917-936, 2004 # 05bes/app Bessinger, B. and Apps, J.A., 2005. The Hydrothermal Chemistry of Gold, Arsenic, Antimony, Mercury and Silver. Report LBNL-57395, 52 p. # 05for/dro Forray, F.L., Drouet, C, Navrotsky, A. (2005) Thermochemistry of yavapaiite KFe(SO4)2: Formation and decomposition. Geochimica et Cosmochimica Acta 69(8), 2133-2140 # 05kin/par Kim T.G. and Park B., 2005. Synthesis and Growth Mechanisms of One-Dimensional Strontium Hydroxyapatite Nanostructures. Inorganic chemistry, 44, p. 9895-9901 # 05las/aza Lassin A., Azaroual M., Mercury L. (2005) 'Geochemistry of Unsaturated Soil Systems: Aqueous Speciation and Solubility of Minerals and Gases in Capillary Solutions'. Geochim. Cosmochim. Acta 69, 5187-5201. # 05liu/mcp Liu W. and McPhail D.C., 2005. Thermodynamic properties of copper chloride complexes and copper transport in magmatic-hydrothermal solutions. Chemical Geology, 221, 21-39 # 05maj/nav Majzlan, J., Navrotsky, A., Stevens, R., Donaldson, M., Woodfield, B.F., Boerio-Goates, J. (2005) Thermodynamics of monoclinic Fe2(SO4)3. Journal of Chemical Thermodynamics 37, 802-809 # 05pok/rou Pokrovski G.S., Roux J., Hazemann J.L. and Testemale D. , 2005. An X-ray absorption spectroscopy study of argutite solubility and aqueous Ge(IV) speciation in hydrothermal fluids to 500 C and 400 bar. Chemical Geology, 217, 127-145 # 05vid/par Vidal O., Parra T., Vieillard, P., 2005. Thermodynamic properties of the Tschermak solid solution in Fe-chlorite: Application to natural examples and possible role of oxidation. American Mineralogist 90, 347-358. # 05wal/pel Waldner, P., Pelton, A.D. (2005) Thermodynamic modeling of the Fe-S system. Journal of Phase Equilibria and Diffusion 26, 23-38. # 06bla/ign Blanc P., Ignatadis I., Lassin A. et Burnol A., 2006. Thermochimie : Selection de constantes thermodynamiques pour le chrome, le cobalt et le strontium. Rapport final. Rapport BRGM 55083-FR. # 06bla/las Blanc P., Lassin A., Gaucher E.C. et Jacquot E., 2006. Un modele thermodynamique et mineralogique de beton : prise en compte de l'influence de la temperature. Rapport final. Rapport BRGM 55084-FR. # 06bla/pia Blanc P., Piantone P., Lassin A. et Burnol A., 2006. Thermochimie : Selection de constantes thermodynamiques pour les elements majeurs, le plomb et le cadmium. Rapport final. Rapport BRGM 54902-FR # 06bod/las Bodenan F., Lassin A., Hottier M., Filippov L. et Piantone P., 2006. Projet Decalco - Piegeage et valorisation de dechet alcalin par passivation au CO2 industriel. Rapport BRGM/RP-55015-FR, 140 p. # 06deo/nav Deore S., and Navrotsky A., 2006. Oxide melt solution calorimetry of sulfides: Enthalpy of formation of sphalerite, galena, greenockite, and hawleyite. American Mineralogist, 91, p. 400 403. # 06gai/bla Gailhanou H., et Blanc P., 2006. Thermochimie - Estimation des entropies, capacites calorifiques et volumes molaires des phyllosilicates 2 :1 deshydrates. BRGM/RP-55095-FR # 06gau/bla Gaucher E. C., Blanc P., Bardot F., Braibant G., Buschaert S., Crouzet C., Gautier A., Girard J.-P., Jacquot E., Lassin A., Negrel G., Tournassat C., Vinsot A., Altmann S. (2006) Modelling the porewater chemistry of the Callovian-Oxfordian formation at a at a regional scale, C. R. Geoscience 338 (2006). # 06lan/mah Langmuir D, Mahoney J, Rowson J (2006) Solubility products of amorphous ferric arsenate and crystalline scorodite (Fe- AsO4_2H2O) and their application to arsenic behavior in buried mine tailings. Geochim Cosmochim Acta 70:2942-2956 # 06las/bla Lassin A. et Blanc P., 2006. Considerations sur les contraintes liees a la gestion des donnees thermodynamiques en vue de la creation de la base de donnees THERMODDEM. Rapport BRGM/RP-55118-FR, 120 p. # 06mes/bou Messnaoui B., and Bounahmidi T., 2006. On the modeling of calcium sulfate solubility in aqueous solutions. Fluid Phase Equilibria, 244, p. 117-127. # 06pia/bod Piantone P., Bodenan F. et Lassin A., 2006. Projet NOVOSOL - Evaluation environnementale de sediments phosphates et calcines. Rapport BRGM/RP-54845-FR, 133 p. # 06pia/now Piantone P., Nowak C., Blanc P., Lassin A. et Burnol A., 2006. Themoddem : THERmodynamique et MOdelisation de la Degradation DEchets Mineraux. Rapport d'avancement. Rapport BRGM n BRGM/RP- 54547-FR, 52 p. # 07avie Vieillard P., 2007. Estimation des entropies et capacites calorifiques des zeolithes. Rapport CNRS-Hydrasa 2007-2, 30 p. # 07bla/bou Blanc P., Bourbon X. et Lassin A. (2007) Un modele thermodynamique et mineralogique de beton : selection de constantes thermodynamiques. Rapport final. Rapport BRGM/RP-55967-FR # 07bla/gai Blanc P. et Gailhanou H. (2007) Thermochimie : Estimation des entropies, capacites calorifiques et volumes molaires des phyllosilicates deshydrates et hydrates. Rapport final. Rapport BRGM/RP-55966-FR. # 07gai/bla Gailhanou H. et Blanc P., 2007. Thermochimie : Acquisition des proprietes thermodynamiques sur une saponite et revision des donnees sur les mineraux argileux. Rapport final BRGM/RP-55925-FR # 07las brgm report in progress # 07mar/acc Marini L, Accornero M (2007) Prediction of the thermodynamic properties of metal-arsenate and metal-arsenite aqueous complexes to high temperatures and pressures and some geological consequences. Environ Geol 52:1343-1363 # 07neu/wan Neuhoff P. S. and Wang J. (2007) Heat capacity of hydration. American Mineralogist 92, 1358-1367 # 07ste Stefansson A. (2007) Iron(III) hydrolysis at 25 C. Environ. Sci. Technol. 2007, 41, 6117-6123 # 07vie Vieillard P., 2007. THERMOCHIMIE : Estimation des enthalpies de formation des Phyllosilicates (7, 10 et 14A) anhydres. Rapport final. CNRS-Hydrasa 2007-1, 21 p. # 08aza/and Azaroual M., Andre L., Blanc Ph., Jacquemet N., Crouzet C. (2008) Modelisation thermocinetique des phenomenes d'interaction eaux riches en gaz acides - ciment du casing des forages petroliers. Rapport BRGM/RC-56584-FR, 48 fig., 14 tabl., 124 p # 08bas/pet Basciano L.C., Peterson R.C. (2008) Amer. Mineral., 93, 853-862 # 08bla Blanc P. (2008) : Thermoddem - Selection de proprietes thermodynamiques pour les principales especes aqueuses et minerales porteuses de fer. Rapport final. Rapport BRGM/RP-56587-FR, 70p. # 08gai Gailhanou H. (2008) : Thermochimie : Acquisition des proprietes thermodynamiques sur une berthierine et revision des donnees sur les mineraux argileux. Rapport final BRGM/RP-56838-FR # 08las Lassin A., 2008, personal calculations. # 08per/pok Perfetti E., Pokrovski G., Ballerat-Busserolles K., Majer V., Gibert F. (2008) Densities and heat capacities of aqueous arsenious and arsenic acid solutions to 350 C and 300 bar, and revised thermodynamic properties of As(OH)3(aq), AsO(OH)3(aq) and iron sulfarsenide minerals. Geochimica et Cosmochimica Acta 72, 713-731 # 08sch/lot Schmidt, T., Lothenbach, B., Romer, M., Scrivener, K.L., Rentsch, D., Figi, R. (2008), A thermodynamic and experimental study of the conditions of thaumasite formation, Cement and Concrete Research, 38(3), 337-349. # 08vie Vieillard P., 2008. Estimation des entropies et capacites calorifiques des zeolithes. Rapport CNRS-Hydrasa 2008, 29 p. # 09bla Blanc P. (2009) - Thermochimie - Selection de constantes thermodynamiques pour les zeolites : version 2. Rapport final. Rapport BRGM/RP-57796-FR. 55 p. # 09gai Gailhanou H. (2009) : Thermochimie : Acquisition des proprietes thermodynamiques d'une nontronite, d'une beidellite et revision des donnees de la saponite Sap-Ca-1. Rapport final BRGM/RP-57797-FR # 09gai/rog Gailhanou, H., Rogez, J., van Miltenburg, J.C., van Genderen, A.C.G., Greneche, J.M., Gilles, C., Jalabert, D., Michau, N., Gaucher, E.C., Blanc, P., 2009. Thermodynamic properties of chlorite CCa-2. Heat capacities, heat contents and entropies. Geochimica et Cosmochimica Acta 73, 4738-4749. # 10abla/bou Blanc, Ph.; Bourbon, X.; Lassin, A.; Gaucher, E.C. 2010 - Chemical model for cement-based materials: Temperature dependence of thermodynamic functions for nanocrystalline and crystalline C-S-H phases. Cement and Concrete Research, 40, p. 851-867 # 10bbla/bou Blanc, Ph.; Bourbon, X.; Lassin, A.; Gaucher, E.C. 2010 - Chemical model for cement-based materials: Thermodynamic data assessment for phases other than C-S-H. Cement and Concrete Research, 40, p. 1360-1374. # 10bla/vie Blanc P. and Vieillard P. (2010) - Thermochimie: Estimation of the thermodynamic properties of dehydrated phyllosilicates. Final Report. BRGM/RP-57798-FR. # 10vie Vieillard P., 2010 - A predictive model for the entropies and heat capacities of zeolites. Eur. J. Mineral. 22, 823-836 # 11bla/las Blanc P., Lassin A. 2011. 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