# PSI/Nagra Thermochemical Database Version 12/07 LAST MOD. 11-JUN-2015 # PSINA_110615_DAV_s.dat # # The documentation for this database is available on http://www.psi.ch/les/database. # # Change history ----------------------------------------------------------------------------------- # PSINA_120110_DAV_s.dat # 12-JAN-2010 : Added Becquerelite and Compreignacite to PSINA_060110_DAV_s.dat # PSINA_050710_DAV_s.dat # 05-JULY-2010: Added CmSCN+2 to PSINA_120110_DAV_s.dat # 05-JULY-2010: Added NpO2SCN to PSINA_120110_DAV_s.dat # PSINA_050710_rev_DAV_s.dat # 14-FEB-2011 : Sn: Changed incorrect formula (for conversion from mass to mole units) and # incorrect elemental gfw in PSINA_050710_DAV.dat and PSINA_050710_DAV_s.dat # 14-FEB-2011 : Added NpSiO(OH)3+2 to PSINA_050710_DAV_s.dat # 14-FEB-2011 : Added USiO4(s) to PSINA_050710_DAV_s.dat # 20-FEB-2011 : corrected log_k for UO2(am,hyd) (from -1.5 to 1.5) in PSINA_050710_DAV.dat # and PSINA_050710_DAV_s.dat # PSINA_290714_DAV_s.dat # 29-JUL-2014 : Added I(+5) to the SOLUTION_MASTER_SPECIES # corrected log_k for I2 (wrong sign) # corrected log_k for IO3- (from -122.0400 to -101.0900) # changed some comments # PSINA_110615_DAV_s.dat # 11-JUN-2015: Changed references to PSI reports and added comment concerning documentation, # deleted warning concerning use of database at temperatures other than 25ūC #--------------------------------------------------------------------------------------------------- # # ACTIVITY COEFFICIENTS: # # This version of the database uses the Davies equation for the calculation of activity coefficients. # -gamma 0.00 0.00 for neutral species ensures that the activity coefficients # are equal to one. # # TEMPERATURE: # # This version of the database only contains logK-data for 25ūC # # DOCUMENTATION: # # NAGRA NTB 91-17: Pearson F.J., Berner U. (1992): Nagra Thermochemical Data Base I. Core Data, # Nagra NTB 91-17. # available for download at http://www.nagra.ch/de/downloadcenter.htm # NAGRA NTB 91-18: Pearson F.J., Berner U., Hummel W. (1992): Nagra Thermochemical Data Base # II. Supplemental Data, Nagra NTB 91-18. # available for download at http://www.nagra.ch/de/downloadcenter.htm # NAGRA NTB 02-16: Hummel W., Berner U., Curti E., Pearson F.J., Thoenen T. (2002): Nagra/PSI # Chemical Thermodynamic Database 01/01, Nagra NTB 02-16. # available for download at http://www.nagra.ch/de/downloadcenter.htm # PSI Report 14-04: Thoenen T., Hummel W., Berner U., Curti E. (2014): The PSI/Nagra Chemical # Thermodynamic Database 12/07, PSI Report 14-04. # available for download at http://www.psi.ch/les/database # #--------------------------------------------------------------------------------------------------- # SOLUTION_MASTER_SPECIES # # ATOMIC WEIGHTS # Naturally occurring elements: IUPAC 1993 Table 1 rounded to 0.001 # Radioelements: Mass number of longest-lived isotope # # # # elemen species alk gfw_formula element_gfw atomic Disposition Source of data # number PMATCHC # H H+ -1.0 H 1.008 # 1 Ele NAGRA NTB 91-17 H(0) H2 0.0 H # Ma(S) NAGRA NTB 91-17 H(1) H+ -1.0 H # Ma(P) NAGRA NTB 91-17 E e- 0.0 0.0 0.0 # Ma(P) NAGRA NTB 91-17 O H2O 0.0 O 15.999 # 8 Ele NAGRA NTB 91-17 O(0) O2 0.0 O # Ma(S) NAGRA NTB 91-17 O(-2) H2O 0.0 O # Ma(P) NAGRA NTB 91-17 Al Al+3 0.0 Al 26.982 # 13 Ele, Ma(P) NAGRA NTB 02-16 Am Am+3 0.0 Am 243 # 95 Ele, Ma(P) PSI Report 14-04 Am(3) Am+3 0.0 Am # PSI Report 14-04 Am(5) AmO2+ 0.0 Am # PSI Report 14-04 As HAsO4-2 0.0 As 74.922 # 33 Ele NAGRA NTB 91-17 As(3) As(OH)3 0.0 As # Ma(S) NAGRA NTB 91-17 As(5) HAsO4-2 1.0 As # Ma(P) NAGRA NTB 91-17 B B(OH)3 0.0 B 10.812 # 5 Ma(P) NAGRA NTB 91-18 Ba Ba+2 0.0 Ba 137.328 # 56 Ma(P) NAGRA NTB 91-17 Br Br- 0.0 Br 79.904 # 35 Ma(P) NAGRA NTB 91-17 C HCO3- 1.0 C 12.011 # 6 Ele NAGRA NTB 91-17 C(+4) HCO3- 1.0 HCO3- # Ma(P) NAGRA NTB 91-17 C(-4) CH4 0.0 CH4 # Ma(S) NAGRA NTB 91-17 Alkalinity HCO3- 1.0 HCO3- 61.016 # NAGRA NTB 91-17 Ca Ca+2 0.0 Ca 40.078 # 20 Ma(P) NAGRA NTB 91-17 Cl Cl- 0.0 Cl 35.453 # 17 Ma(P) NAGRA NTB 91-17 Cm Cm+3 0.0 Cm 247 # PSI Report 14-04 Cs Cs+ 0.0 Cs 132.905 # 55 Ma(P) Master Species only Eu Eu+3 0.0 Eu 151.966 # 63 Ele NAGRA NTB 02-16 Eu(2) Eu+2 0.0 Eu # Ma(S) NAGRA NTB 02-16 Eu(3) Eu+3 0.0 Eu # Ma(P) NAGRA NTB 02-16 F F- 0.0 F 18.998 # 9 Ma(P) NAGRA NTB 91-17 Fe Fe+2 0.0 Fe 55.845 # 26 Ele NAGRA NTB 91-18 Fe(2) Fe+2 0.0 Fe # Ma(P) NAGRA NTB 91-18 Fe(3) Fe+3 0.0 Fe # Ma(S) NAGRA NTB 91-18 I I- 0.0 I 126.904 # 53 Ele NAGRA NTB 91-18 I(-1) I- 0.0 I # Ma(P) NAGRA NTB 91-18 I(0) I2 0.0 I # Ma(S) NAGRA NTB 91-18 I(+5) IO3- 0.0 I # PSI Report 14-04 K K+ 0.0 K 39.098 # 19 Ma(P) NAGRA NTB 91-17 Li Li+ 0.0 Li 6.941 # 6 Ma(P) NAGRA NTB 91-17 Mg Mg+2 0.0 Mg 24.305 # 12 Ma(P) NAGRA NTB 91-17 Mn Mn+2 0.0 Mn 54.938 # 25 Ma(P) NAGRA NTB 91-18 Mo MoO4-2 0.0 Mo 95.941 # 42 Ma(P) NAGRA NTB 91-18 N NO3- 0.0 N 14.007 # 7 Ele NAGRA NTB 91-17 N(-5) HCN 0.0 HCN # PSI Report 14-04 N(-3) NH4+ 0.0 NH4 # Ma(S) NAGRA NTB 91-17 N(-1) SCN- 0.0 SCN- # PSI Report 14-04 N(0) N2 0.0 N2 # Ma(S) NAGRA NTB 91-17 N(5) NO3- 0.0 NO3 # Ma(P) NAGRA NTB 91-17 Na Na+ 0.0 Na 22.99 # 11 Ma(P) NAGRA NTB 91-17 Nb NbO3- 0.0 Nb 92.906 # 41 Ma(P) NAGRA NTB 91-18 Ni Ni+2 0.0 Ni 58.693 # 28 Ele, Ma(P) PSI Report 14-04 Np NpO2+2 0.0 Np 237 # 93 Ele PSI Report 14-04 Np(3) Np+3 0.0 Np # Ma(S) PSI Report 14-04 Np(4) Np+4 0.0 Np # Ma(S) PSI Report 14-04 Np(5) NpO2+ 0.0 Np # Ma(S) PSI Report 14-04 Np(6) NpO2+2 0.0 Np # Ma(P) PSI Report 14-04 P HPO4-2 1.0 P 30.974 # 15 Ma(P) NAGRA NTB 91-17 Pd Pd+2 0.0 Pd 106.421 # 46 Ele, Ma(P) NAGRA NTB 02-16 Pu PuO2+2 0.0 Pu 242 # 94 Ele PSI Report 14-04 Pu(3) Pu+3 0.0 Pu # Ma(S) PSI Report 14-04 Pu(4) Pu+4 0.0 Pu # Ma(S) PSI Report 14-04 Pu(5) PuO2+ 0.0 Pu # Ma(S) PSI Report 14-04 Pu(6) PuO2+2 0.0 Pu # Ma(P) PSI Report 14-04 Ra Ra+2 0.0 Ra 226 # 88 Ele, Ma(P) NAGRA NTB 02-16 S SO4-2 0.0 S 32.067 # 16 Ele NAGRA NTB 91-17 S(-2) HS- 1.0 HS # Ma(S) NAGRA NTB 02-16 S(2) S2O3-2 0.0 S2O3 # Ma(S) NAGRA NTB 91-18 S(4) SO3-2 0.0 SO3 # Ma(S) NAGRA NTB 91-18 S(6) SO4-2 0.0 SO4 # Ma(P) NAGRA NTB 91-18 Se SeO3-2 0.0 Se 78.963 # 34 Ele PSI Report 14-04 Se(4) SeO3-2 0.0 Se # Ma(P) PSI Report 14-04 Se(-2) H2Se 0.0 Se # Ma(S) PSI Report 14-04 Se(6) HSeO4- 0.0 Se # Ma(S) PSI Report 14-04 Si Si(OH)4 0.0 Si 28.086 # 14 Ele, Ma(P) PSI Report 14-04 Tn Tn+2 0.0 Tn 118.711 # 50 Ele, Ma(P) NAGRA NTB 02-16 Sn Sn(OH)4 0.0 Sn 118.711 # Ma(P) NAGRA NTB 02-16 Sr Sr+2 0.0 Sr 87.621 # 38 Ma(P) NAGRA NTB 91-17 Tc TcO4- 0.0 Tc 98 # 43 Ele PSI Report 14-04 Tc(7) TcO4- 0.0 TcO4 # Ma(P) PSI Report 14-04 Tc(4) TcO(OH)2 -1.0 TcO(OH)2 # Ma(S) PSI Report 14-04 Th Th+4 0.0 Th 232.038 # 90 Ele, Ma(P) PSI Report 14-04 U UO2+2 0.0 U 238.029 # 92 Ele PSI Report 14-04 U(4) U+4 0.0 U # Ma(S) PSI Report 14-04 U(5) UO2+ 0.0 U # Ma(S) PSI Report 14-04 U(6) UO2+2 0.0 UO2 # Ma(P) PSI Report 14-04 Zr Zr+4 0.0 Zr 91.224 # 40 Ele, Ma(P) PSI Report 14-04 SOLUTION_SPECIES # PMATCH MASTER SPECIES H+ = H+ log_k 0.0 e- = e- log_k 0.0 -gamma 0.00 0.00 H2O = H2O log_k 0.0 -gamma 0.00 0.00 Al+3 = Al+3 log_k 0.0 Am+3 = Am+3 log_k 0.0 HAsO4-2 = HAsO4-2 log_k 0.0 B(OH)3 = B(OH)3 log_k 0.0 -gamma 0.00 0.00 Ba+2 = Ba+2 log_k 0.0 Br- = Br- log_k 0.0 HCO3- = HCO3- log_k 0.0 Ca+2 = Ca+2 log_k 0.0 Cl- = Cl- log_k 0.0 Cm+3 = Cm+3 log_k 0.0 Cs+ = Cs+ log_k 0.0 Eu+3 = Eu+3 log_k 0.0 F- = F- log_k 0.0 Fe+2 = Fe+2 log_k 0.0 I- = I- log_k 0.0 K+ = K+ log_k 0.0 Li+ = Li+ log_k 0.0 Mg+2 = Mg+2 log_k 0.0 Mn+2 = Mn+2 log_k 0.0 MoO4-2 = MoO4-2 log_k 0.0 NO3- = NO3- log_k 0.0 Na+ = Na+ log_k 0.0 NbO3- = NbO3- log_k 0.0 Ni+2 = Ni+2 log_k 0.0 NpO2+2 = NpO2+2 log_k 0.0 HPO4-2 = HPO4-2 log_k 0.0 Pd+2 = Pd+2 log_k 0.0 PuO2+2 = PuO2+2 log_k 0.0 Ra+2 = Ra+2 log_k 0.0 SO4-2 = SO4-2 log_k 0.0 SeO3-2 = SeO3-2 log_k 0.0 Si(OH)4 = Si(OH)4 log_k 0.0 -gamma 0.00 0.00 Tn+2 = Tn+2 log_k 0.0 Sn(OH)4 = Sn(OH)4 log_k 0.0 -gamma 0.00 0.00 Sr+2 = Sr+2 log_k 0.0 TcO4- = TcO4- log_k 0.0 Th+4 = Th+4 log_k 0.0 UO2+2 = UO2+2 log_k 0.0 Zr+4 = Zr+4 log_k 0.0 # PMATCH SECONDARY MASTER SPECIES # Se Redox ############## +1.000SeO3-2 +1.000H2O -1.000H+ -2.000e- = HSeO4- log_k -26.3000 +1.000SeO3-2 +8.000H+ +6.000e- -3.000H2O = H2Se log_k 57.4000 -gamma 0.00 0.00 +1.000HCN +1.000SeO3-2 +5.000H+ +4.000e- -3.000H2O = SeCN- log_k 57.3000 # Tc Redox ############## +1.000TcO4- +4.000H+ +3.000e- -1.000H2O = TcO(OH)2 log_k 29.4000 -gamma 0.00 0.00 # Eu Redox ############## +1.000Eu+3 +1.000e- = Eu+2 log_k -5.9200 # U Redox ############## +1.000UO2+2 +4.000H+ +2.000e- -2.000H2O = U+4 log_k 9.0380 +1.000UO2+2 +1.000e- = UO2+ log_k 1.4840 # Np Redox ############## +1.000NpO2+2 +4.000H+ +3.000e- -2.000H2O = Np+3 log_k 33.5000 +1.000NpO2+2 +4.000H+ +2.000e- -2.000H2O = Np+4 log_k 29.8000 +1.000NpO2+2 +1.000e- = NpO2+ log_k 19.5900 # Pu Redox ############## +1.000PuO2+2 +4.000H+ +3.000e- -2.000H2O = Pu+3 log_k 50.9700 +1.000PuO2+2 +4.000H+ +2.000e- -2.000H2O = Pu+4 log_k 33.2800 +1.000PuO2+2 +1.000e- = PuO2+ log_k 15.8200 # Am Redox ############## +1.000Am+3 +2.000H2O -4.000H+ -2.000e- = AmO2+ log_k -59.7000 # Rest Redox ############## +2.000H+ +2.000e- = H2 log_k -3.1054 -gamma 0.00 0.00 +2.000H2O -4.000H+ -4.000e- = O2 log_k -85.9841 -gamma 0.00 0.00 +1.000HAsO4-2 +4.000H+ +2.000e- -1.000H2O = As(OH)3 log_k 28.4412 -gamma 0.00 0.00 +1.000HCO3- +9.000H+ +8.000e- -3.000H2O = CH4 log_k 27.8486 -gamma 0.00 0.00 +2.000NO3- +12.000H+ +10.000e- -6.000H2O = N2 log_k 207.2627 -gamma 0.00 0.00 +1.000NO3- +10.000H+ +8.000e- -3.000H2O = NH4+ log_k 119.1344 +2.000SO4-2 +10.000H+ +8.000e- -5.000H2O = S2O3-2 log_k 38.0140 # bug: log_k entered manually +1.000SO4-2 +2.000H+ +2.000e- -1.000H2O = SO3-2 log_k -3.3970 # bug: log_k entered manually +1.000SO4-2 +9.000H+ +8.000e- -4.000H2O = HS- log_k 33.6900 +1.000Fe+2 -1.000e- = Fe+3 log_k -13.0200 +2.000I- -2.000e- = I2 log_k -20.9500 -gamma 0.00 0.00 +0.500I2 +3.000H2O -6.000H+ -5.000e- = IO3- log_k -101.0900 +13.000H+ +1.000CO3-2 +1.000NO3- +10.000e- -6.000H2O = HCN log_k 117.3360 -gamma 0.00 0.00 +1.000HCN +1.000HS- -2.000e- -2.000H+ = SCN- log_k 5.9410 # Convenience ############# +1.000H2O -1.000H+ = OH- log_k -13.9995 +1.000H+ -1.000H2O +1.000HCO3- = CO2 log_k 6.3519 -gamma 0.00 0.00 -1.000H+ +1.000HCO3- = CO3-2 log_k -10.3289 +1.000HPO4-2 +2.000H+ = H3PO4 log_k 9.3520 -gamma 0.00 0.00 +1.000HPO4-2 +1.000H+ = H2PO4- log_k 7.2120 +1.000HPO4-2 -1.000H+ = PO4-3 log_k -12.3500 +1.000Si(OH)4 -1.000H+ = SiO(OH)3- log_k -9.8100 +1.000Si(OH)4 -2.000H+ = SiO2(OH)2-2 log_k -23.1400 +1.000Al+3 +4.000H2O -4.000H+ = Al(OH)4- log_k -22.8791 +1.000NH4+ -1.000H+ = NH3 log_k -9.2370 -gamma 0.00 0.00 +1.000HCN -1.000H+ = CN- log_k -9.2100 +1.000HAsO4-2 -1.000H+ = AsO4-3 log_k -11.6030 +1.000HAsO4-2 +2.000H+ = H3AsO4 log_k 9.0270 -gamma 0.00 0.00 # bug: log_k entered manually # Se(VI) RECOMMENDED DATA Convenience ######################################## +1.000HSeO4- -1.000H+ = SeO4-2 log_k -1.7500 # Se(IV) RECOMMENDED DATA Convenience ######################################## +1.000SeO3-2 +1.000H+ = HSeO3- log_k 8.3600 # Se(-II) RECOMMENDED DATA Convenience ######################################## +1.000H2Se -1.000H+ = HSe- log_k -3.8500 +1.000HSe- -1.000H+ = Se-2 log_k -14.9100 # PMATCH PRODUCT SPECIES # General RECOMMENDED DATA ############################ +1.000I- +1.000I2 = I3- log_k 2.8700 +1.000H+ +1.000IO3- = HIO3 log_k 0.7880 -gamma 0.00 0.00 +1.000Al+3 +1.000F- = AlF+2 log_k 7.0800 +1.000Al+3 +2.000F- = AlF2+ log_k 12.7300 +1.000Al+3 +3.000F- = AlF3 log_k 16.7800 -gamma 0.00 0.00 +1.000Al+3 +4.000F- = AlF4- log_k 19.2900 +1.000Al+3 +5.000F- = AlF5-2 log_k 20.3000 +1.000Al+3 +6.000F- = AlF6-3 log_k 20.3000 +1.000Al+3 +1.000H2O -1.000H+ = AlOH+2 log_k -4.9572 +1.000Al+3 +2.000H2O -2.000H+ = Al(OH)2+ log_k -10.5940 +1.000Al+3 +3.000H2O -3.000H+ = Al(OH)3 log_k -16.4324 -gamma 0.00 0.00 +1.000Al+3 +1.000SO4-2 = AlSO4+ log_k 3.9000 +1.000Al+3 +2.000SO4-2 = Al(SO4)2- log_k 5.9000 +1.000As(OH)3 +1.000H2O -1.000H+ = As(OH)4- log_k -9.2320 # bug: log_k entered manually +1.000B(OH)3 +1.000H2O -1.000H+ = B(OH)4- log_k -9.2352 +1.000Ba+2 -1.000H+ +1.000HCO3- = BaCO3 log_k -7.6157 -gamma 0.00 0.00 +1.000Ba+2 +1.000HCO3- = BaHCO3+ log_k 0.9816 +1.000Ba+2 +1.000H2O -1.000H+ = BaOH+ log_k -13.4700 +1.000Ba+2 +1.000SO4-2 = BaSO4 log_k 2.7000 -gamma 0.00 0.00 +1.000Ca+2 -1.000H+ +1.000HCO3- = CaCO3 log_k -7.1047 -gamma 0.00 0.00 +1.000Ca+2 +1.000F- = CaF+ log_k 0.9400 +1.000Ca+2 +1.000HCO3- = CaHCO3+ log_k 1.1057 +1.000Ca+2 +1.000H2O -1.000H+ = CaOH+ log_k -12.7800 +1.000Ca+2 +1.000SO4-2 = CaSO4 log_k 2.3000 -gamma 0.00 0.00 +2.000H2O -2.000H+ +1.000Fe+3 = Fe(OH)2+ log_k -5.6700 +3.000H2O -3.000H+ +1.000Fe+3 = Fe(OH)3 log_k -12.5600 -gamma 0.00 0.00 +4.000H2O -4.000H+ +1.000Fe+3 = Fe(OH)4- log_k -21.6000 +2.000SO4-2 +1.000Fe+3 = Fe(SO4)2- log_k 5.3800 +2.000H2O -2.000H+ +2.000Fe+3 = Fe2(OH)2+4 log_k -2.9500 +4.000H2O -4.000H+ +3.000Fe+3 = Fe3(OH)4+5 log_k -6.3000 +1.000Fe+2 +1.000Cl- = FeCl+ log_k 0.1400 +1.000Cl- +1.000Fe+3 = FeCl+2 log_k 1.4800 +2.000Cl- +1.000Fe+3 = FeCl2+ log_k 2.1300 +3.000Cl- +1.000Fe+3 = FeCl3 log_k 1.1300 -gamma 0.00 0.00 +1.000Fe+2 +1.000HCO3- -1.000H+ = FeCO3 log_k -5.9490 -gamma 0.00 0.00 +1.000Fe+2 +1.000F- = FeF+ log_k 1.0000 +1.000F- +1.000Fe+3 = FeF+2 log_k 6.2000 +2.000F- +1.000Fe+3 = FeF2+ log_k 10.8000 +3.000F- +1.000Fe+3 = FeF3 log_k 14.0000 -gamma 0.00 0.00 +1.000Fe+2 +1.000HCO3- = FeHCO3+ log_k 2.0000 +1.000Fe+2 +1.000H+ +1.000SO4-2 = FeHSO4+ log_k 3.0680 +1.000H+ +1.000SO4-2 +1.000Fe+3 = FeHSO4+2 log_k 4.4680 +1.000Fe+2 +1.000H2O -1.000H+ = FeOH+ log_k -9.5000 +1.000H2O -1.000H+ +1.000Fe+3 = FeOH+2 log_k -2.1900 +1.000SO4-2 +1.000Fe+3 = FeSO4+ log_k 4.0400 +1.000Fe+2 +1.000SO4-2 = FeSO4 log_k 2.2500 -gamma 0.00 0.00 +1.000HAsO4-2 +1.000H+ = H2AsO4- log_k 6.7640 # bug: log_k entered manually +1.000H+ +1.000F- = HF log_k 3.1760 -gamma 0.00 0.00 +1.000H+ +2.000F- = HF2- log_k 3.6200 +1.000H+ +1.000SO3-2 = HSO3- log_k 7.2200 # bug: log_k entered manually +1.000H+ +1.000SO4-2 = HSO4- log_k 1.9878 +1.000K+ +1.000H2O -1.000H+ = KOH log_k -14.4600 -gamma 0.00 0.00 +1.000K+ +1.000SO4-2 = KSO4- log_k 0.8500 +1.000Li+ +1.000H2O -1.000H+ = LiOH log_k -13.6400 -gamma 0.00 0.00 +1.000Li+ +1.000SO4-2 = LiSO4- log_k 0.6400 +1.000HS- -1.000H+ = S-2 log_k -19.0000 +1.000HS- +1.000H+ = H2S log_k 6.9900 -gamma 0.00 0.00 +1.000Mg+2 -1.000H+ +1.000HCO3- = MgCO3 log_k -7.3492 -gamma 0.00 0.00 +1.000Mg+2 +1.000F- = MgF+ log_k 1.8200 +1.000Mg+2 +1.000HCO3- = MgHCO3+ log_k 1.0682 +1.000Mg+2 +1.000H2O -1.000H+ = MgOH+ log_k -11.4400 +1.000Mg+2 +1.000SO4-2 = MgSO4 log_k 2.3700 -gamma 0.00 0.00 +1.000Mn+2 +1.000Cl- = MnCl+ log_k 0.6100 +1.000Mn+2 +2.000Cl- = MnCl2 log_k 0.2500 -gamma 0.00 0.00 +1.000Mn+2 +3.000Cl- = MnCl3- log_k -0.3100 +1.000Mn+2 +1.000HCO3- -1.000H+ = MnCO3 log_k -5.4290 -gamma 0.00 0.00 +1.000Mn+2 +1.000F- = MnF+ log_k 0.8400 +1.000Mn+2 +1.000HCO3- = MnHCO3+ log_k 1.9500 +1.000Mn+2 +1.000H2O -1.000H+ = MnOH+ log_k -10.5900 +1.000Mn+2 +1.000SO4-2 = MnSO4 log_k 2.2500 -gamma 0.00 0.00 +1.000Na+ -1.000H+ +1.000HCO3- = NaCO3- log_k -9.0590 +1.000Na+ +1.000F- = NaF log_k -0.2400 -gamma 0.00 0.00 +1.000Na+ +1.000HCO3- = NaHCO3 log_k -0.2500 -gamma 0.00 0.00 +1.000Na+ +1.000H2O -1.000H+ = NaOH log_k -14.1800 -gamma 0.00 0.00 +1.000Na+ +1.000SO4-2 = NaSO4- log_k 0.7000 +1.000NbO3- +2.000H+ +1.000H2O = Nb(OH)4+ log_k 6.8955 +1.000NbO3- +1.000H+ +2.000H2O = Nb(OH)5 log_k 7.3440 -gamma 0.00 0.00 +1.000Sr+2 -1.000H+ +1.000HCO3- = SrCO3 log_k -7.5238 -gamma 0.00 0.00 +1.000Sr+2 +1.000HCO3- = SrHCO3+ log_k 1.1846 +1.000Sr+2 +1.000H2O -1.000H+ = SrOH+ log_k -13.2900 +1.000Sr+2 +1.000SO4-2 = SrSO4 log_k 2.2900 -gamma 0.00 0.00 # Si(IV) RECOMMENDED DATA ############################ +1.000Ca+2 +1.000SiO(OH)3- = CaSiO(OH)3+ log_k 1.2000 +1.000Ca+2 +1.000SiO2(OH)2-2 = CaSiO2(OH)2 log_k 4.6000 -gamma 0.00 0.00 +1.000Mg+2 +1.000SiO(OH)3- = MgSiO(OH)3+ log_k 1.5000 +1.000Mg+2 +1.000SiO2(OH)2-2 = MgSiO2(OH)2 log_k 5.7000 -gamma 0.00 0.00 +1.000Al+3 +1.000SiO(OH)3- = AlSiO(OH)3+2 log_k 7.4000 +1.000Fe+3 +1.000SiO(OH)3- = FeSiO(OH)3+2 log_k 9.7000 +4.000Si(OH)4 -4.000H+ -4.000H2O = Si4O8(OH)4-4 log_k -36.3000 # Si(IV) SUPPLEMENTAL DATA # ========================== +1.000Al(OH)4- +1.000SiO2(OH)2-2 -1.000H2O = AlSiO3(OH)4-3 log_k 0.5300 # Ni(II) RECOMMENDED DATA ############################ +1.000Ni+2 +1.000H2O -1.000H+ = NiOH+ log_k -9.5400 +1.000Ni+2 +3.000H2O -3.000H+ = Ni(OH)3- log_k -29.2000 +2.000Ni+2 +1.000H2O -1.000H+ = Ni2OH+3 log_k -10.6000 +4.000Ni+2 +4.000H2O -4.000H+ = Ni4(OH)4+4 log_k -27.5200 +1.000Ni+2 +1.000F- = NiF+ log_k 1.4300 +1.000Ni+2 +1.000Cl- = NiCl+ log_k 0.0800 +1.000Ni+2 +1.000SO4-2 = NiSO4 log_k 2.3500 -gamma 0.00 0.00 +1.000Ni+2 +1.000NO3- = NiNO3+ log_k 0.5000 +1.000Ni+2 +1.000HPO4-2 = NiHPO4 log_k 3.0500 -gamma 0.00 0.00 +1.000Ni+2 +1.000CO3-2 = NiCO3 log_k 4.2000 -gamma 0.00 0.00 +1.000Ni+2 +1.000HS- = NiHS+ log_k 5.5000 +1.000Ni+2 +2.000HS- = Ni(HS)2 log_k 11.1000 -gamma 0.00 0.00 +1.000Ni+2 +1.000HAsO4-2 = NiHAsO4 log_k 2.9000 -gamma 0.00 0.00 +1.000Ni+2 +4.000CN- = Ni(CN)4-2 log_k 30.2000 +1.000Ni+2 +5.000CN- = Ni(CN)5-3 log_k 28.5000 +1.000Ni+2 +1.000SCN- = NiSCN+ log_k 1.8100 +1.000Ni+2 +2.000SCN- = Ni(SCN)2 log_k 2.6900 -gamma 0.00 0.00 +1.000Ni+2 +3.000SCN- = Ni(SCN)3- log_k 3.0200 # Ni(II) SUPPLEMENTAL DATA # ========================== +1.000Ni+2 +2.000H2O -2.000H+ = Ni(OH)2 log_k -18.0000 -gamma 0.00 0.00 +1.000Ni+2 +1.000NH3 = NiNH3+2 log_k 2.7000 +1.000Ni+2 +2.000NH3 = Ni(NH3)2+2 log_k 4.9000 +1.000Ni+2 +3.000NH3 = Ni(NH3)3+2 log_k 6.5000 +1.000Ni+2 +4.000NH3 = Ni(NH3)4+2 log_k 7.6000 +1.000Ni+2 +5.000NH3 = Ni(NH3)5+2 log_k 8.3000 +1.000Ni+2 +6.000NH3 = Ni(NH3)6+2 log_k 8.2000 +1.000Ni+2 +2.000CO3-2 = Ni(CO3)2-2 log_k 6.0000 +1.000Ni+2 +1.000HCO3- = NiHCO3+ log_k 1.0000 +1.000Ni+2 +1.000SiO(OH)3- = NiSiO(OH)3+ log_k 6.3000 # Se(0|-II) RECOMMENDED DATA ############################ +2.000Se-2 -2.000e- = Se2-2 log_k 25.3200 +3.000Se-2 -4.000e- = Se3-2 log_k 49.9700 +4.000Se-2 -6.000e- = Se4-2 log_k 73.0200 # Se(0) RECOMMENDED DATA ############################ +1.000Ni+2 +1.000SeCN- = NiSeCN+ log_k 1.7700 +1.000Ni+2 +2.000SeCN- = Ni(SeCN)2 log_k 2.2400 -gamma 0.00 0.00 # Se(IV) RECOMMENDED DATA ############################ +1.000HSeO3- +1.000H+ = H2SeO3 log_k 2.6400 -gamma 0.00 0.00 +1.000Fe+3 +1.000SeO3-2 = FeSeO3+ log_k 11.1500 # Se(VI) RECOMMENDED DATA ############################ +1.000Ni+2 +1.000SeO4-2 = NiSeO4 log_k 2.6700 -gamma 0.00 0.00 +1.000Mn+2 +1.000SeO4-2 = MnSeO4 log_k 2.4300 -gamma 0.00 0.00 +1.000UO2+2 +1.000SeO4-2 = UO2SeO4 log_k 2.7400 -gamma 0.00 0.00 +1.000Ca+2 +1.000SeO4-2 = CaSeO4 log_k 2.0000 -gamma 0.00 0.00 # Se(VI) SUPPLEMENTAL DATA # ========================== +1.000UO2+2 +2.000SeO4-2 = UO2(SeO4)2-2 log_k 3.1000 +1.000Mg+2 +1.000SeO4-2 = MgSeO4 log_k 2.2000 -gamma 0.00 0.00 # Zr(IV) RECOMMENDED DATA ############################ +1.000Zr+4 +1.000H2O -1.000H+ = ZrOH+3 log_k 0.3200 +1.000Zr+4 +4.000H2O -4.000H+ = Zr(OH)4 log_k -2.1900 -gamma 0.00 0.00 +1.000Zr+4 +2.000F- = ZrF2+2 log_k 18.5500 +1.000Zr+4 +3.000F- = ZrF3+ log_k 24.7200 +1.000Zr+4 +4.000F- = ZrF4 log_k 30.1100 -gamma 0.00 0.00 +1.000Zr+4 +1.000SO4-2 = ZrSO4+2 log_k 7.0400 +1.000Zr+4 +6.000F- = ZrF6-2 log_k 38.1100 +1.000Zr+4 +1.000F- = ZrF+3 log_k 10.1200 +1.000Zr+4 +5.000F- = ZrF5- log_k 34.6000 +1.000Zr+4 +1.000Cl- = ZrCl+3 log_k 1.5900 +1.000Zr+4 +2.000Cl- = ZrCl2+2 log_k 2.1700 +1.000Zr+4 +2.000SO4-2 = Zr(SO4)2 log_k 11.5400 -gamma 0.00 0.00 +1.000Zr+4 +3.000SO4-2 = Zr(SO4)3-2 log_k 14.3000 +1.000Zr+4 +1.000NO3- = ZrNO3+3 log_k 1.5900 +1.000Zr+4 +2.000NO3- = Zr(NO3)2+2 log_k 2.6400 +1.000Zr+4 +4.000CO3-2 = Zr(CO3)4-4 log_k 42.9000 +1.000Zr+4 +2.000H2O -2.000H+ = Zr(OH)2+2 log_k 0.9800 +1.000Zr+4 +6.000H2O -6.000H+ = Zr(OH)6-2 log_k -29.0000 +3.000Zr+4 +4.000H2O -4.000H+ = Zr3(OH)4+8 log_k 0.4000 +3.000Zr+4 +9.000H2O -9.000H+ = Zr3(OH)9+3 log_k 12.1900 +4.000Zr+4 +15.000H2O -15.000H+ = Zr4(OH)15+ log_k 12.5800 +4.000Zr+4 +16.000H2O -16.000H+ = Zr4(OH)16 log_k 8.3900 -gamma 0.00 0.00 +4.000Zr+4 +8.000H2O -8.000H+ = Zr4(OH)8+8 log_k 6.5200 +2.000Ca+2 +1.000Zr+4 +6.000H2O -6.000H+ = Ca2Zr(OH)6+2 log_k -22.6000 +3.000Ca+2 +1.000Zr+4 +6.000H2O -6.000H+ = Ca3Zr(OH)6+4 log_k -23.2000 # Zr(IV) SUPPLEMENTAL DATA # ========================== +1.000Ca+2 +1.000Zr+4 +6.000H2O -6.000H+ = CaZr(OH)6 log_k -24.6000 -gamma 0.00 0.00 # Tc(IV) RECOMMENDED DATA ############################ +1.000TcO(OH)2 +2.000H+ -2.000H2O = TcO+2 log_k 4.0000 +1.000TcO(OH)2 +1.000H+ -1.000H2O = TcO(OH)+ log_k 2.5000 +1.000TcO(OH)2 +1.000H2O -1.000H+ = TcO(OH)3- log_k -10.9000 +1.000TcO(OH)2 +1.000CO3-2 +2.000H+ -1.000H2O = TcCO3(OH)2 log_k 19.3000 -gamma 0.00 0.00 +1.000TcO(OH)2 +1.000H+ +1.000CO3-2 = TcCO3(OH)3- log_k 11.0000 # Pd(II) RECOMMENDED DATA ############################ +1.000Pd+2 +1.000Cl- = PdCl+ log_k 5.1000 +1.000Pd+2 +2.000Cl- = PdCl2 log_k 8.3000 -gamma 0.00 0.00 +1.000Pd+2 +3.000Cl- = PdCl3- log_k 10.9000 +1.000Pd+2 +4.000Cl- = PdCl4-2 log_k 11.7000 +1.000Pd+2 +1.000NH3 = PdNH3+2 log_k 9.6000 +1.000Pd+2 +2.000NH3 = Pd(NH3)2+2 log_k 18.5000 +1.000Pd+2 +3.000NH3 = Pd(NH3)3+2 log_k 26.0000 +1.000Pd+2 +4.000NH3 = Pd(NH3)4+2 log_k 32.8000 +1.000Pd+2 -2.000H+ +2.000H2O = Pd(OH)2 log_k -4.0000 -gamma 0.00 0.00 +1.000Pd+2 -3.000H+ +3.000H2O = Pd(OH)3- log_k -15.5000 +1.000Pd+2 +3.000Cl- +1.000H2O -1.000H+ = PdCl3OH-2 log_k 2.5000 +1.000Pd+2 +2.000Cl- +2.000H2O -2.000H+ = PdCl2(OH)2-2 log_k -7.0000 # Tn(II) RECOMMENDED DATA ############################ +1.000Tn+2 +1.000H2O -1.000H+ = TnOH+ log_k -3.8000 +1.000Tn+2 +3.000H2O -3.000H+ = Tn(OH)3- log_k -17.5000 +3.000Tn+2 +4.000H2O -4.000H+ = Tn3(OH)4+2 log_k -5.6000 +1.000Tn+2 +1.000Cl- = TnCl+ log_k 1.7000 +1.000Tn+2 +3.000Cl- = TnCl3- log_k 2.1000 +1.000Tn+2 +1.000F- = TnF+ log_k 5.0000 +1.000Tn+2 +2.000H2O -2.000H+ = Tn(OH)2 log_k -7.7000 -gamma 0.00 0.00 +1.000Tn+2 +1.000SO4-2 = TnSO4 log_k 2.6000 -gamma 0.00 0.00 +1.000Tn+2 +1.000H2O +1.000Cl- -1.000H+ = TnOHCl log_k -3.1000 -gamma 0.00 0.00 +1.000Tn+2 +2.000Cl- = TnCl2 log_k 2.3600 -gamma 0.00 0.00 # Sn(IV) RECOMMENDED DATA ############################ +1.000Sn(OH)4 +1.000H2O -1.000H+ = Sn(OH)5- log_k -8.0000 +1.000Sn(OH)4 +2.000H2O -2.000H+ = Sn(OH)6-2 log_k -18.4000 # Ra(II) RECOMMENDED DATA ############################ +1.000Ra+2 +1.000OH- = RaOH+ log_k 0.5000 +1.000Ra+2 +1.000Cl- = RaCl+ log_k -0.1000 +1.000Ra+2 +1.000CO3-2 = RaCO3 log_k 2.5000 -gamma 0.00 0.00 +1.000Ra+2 +1.000SO4-2 = RaSO4 log_k 2.7500 -gamma 0.00 0.00 # Eu(III) RECOMMENDED DATA ############################ +1.000Eu+3 +1.000H2O -1.000H+ = EuOH+2 log_k -7.6400 +1.000Eu+3 +2.000H2O -2.000H+ = Eu(OH)2+ log_k -15.1000 +1.000Eu+3 +3.000H2O -3.000H+ = Eu(OH)3 log_k -23.7000 -gamma 0.00 0.00 +1.000Eu+3 +4.000H2O -4.000H+ = Eu(OH)4- log_k -36.2000 +1.000Eu+3 +1.000CO3-2 = EuCO3+ log_k 8.1000 +1.000Eu+3 +2.000CO3-2 = Eu(CO3)2- log_k 12.1000 +1.000Eu+3 +1.000SO4-2 = EuSO4+ log_k 3.9500 +1.000Eu+3 +2.000SO4-2 = Eu(SO4)2- log_k 5.7000 +1.000Eu+3 +1.000F- = EuF+2 log_k 3.8000 +1.000Eu+3 +2.000F- = EuF2+ log_k 6.5000 +1.000Eu+3 +1.000Cl- = EuCl+2 log_k 1.1000 +1.000Eu+3 +2.000Cl- = EuCl2+ log_k 1.5000 +1.000Eu+3 +1.000SiO(OH)3- = EuSiO(OH)3+2 log_k 8.1000 # Th(IV) RECOMMENDED DATA ############################ +1.000Th+4 +1.000H2O -1.000H+ = ThOH+3 log_k -2.5000 +1.000Th+4 +4.000H2O -4.000H+ = Th(OH)4 log_k -17.4000 -gamma 0.00 0.00 +1.000Th+4 +1.000F- = ThF+3 log_k 8.8700 +1.000Th+4 +2.000F- = ThF2+2 log_k 15.6300 +1.000Th+4 +3.000F- = ThF3+ log_k 20.6700 +1.000Th+4 +4.000F- = ThF4 log_k 25.5800 -gamma 0.00 0.00 +1.000Th+4 +5.000CO3-2 = Th(CO3)5-6 log_k 31.0000 +1.000Th+4 +2.000SO4-2 = Th(SO4)2 log_k 9.6900 -gamma 0.00 0.00 +1.000Th+4 +3.000SO4-2 = Th(SO4)3-2 log_k 10.7480 +1.000Th+4 +2.000H2O -2.000H+ = Th(OH)2+2 log_k -6.2000 +2.000Th+4 +2.000H2O -2.000H+ = Th2(OH)2+6 log_k -5.9000 +2.000Th+4 +3.000H2O -3.000H+ = Th2(OH)3+5 log_k -6.8000 +4.000Th+4 +8.000H2O -8.000H+ = Th4(OH)8+8 log_k -20.4000 +4.000Th+4 +12.000H2O -12.000H+ = Th4(OH)12+4 log_k -26.6000 +6.000Th+4 +14.000H2O -14.000H+ = Th6(OH)14+10 log_k -36.8000 +6.000Th+4 +15.000H2O -15.000H+ = Th6(OH)15+9 log_k -36.8000 +1.000Th+4 +1.000Cl- = ThCl+3 log_k 1.7000 +1.000Th+4 +1.000IO3- = ThIO3+3 log_k 4.1400 +1.000Th+4 +2.000IO3- = Th(IO3)2+2 log_k 6.9700 +1.000Th+4 +3.000IO3- = Th(IO3)3+ log_k 9.8700 +1.000Th+4 +1.000SO4-2 = ThSO4+2 log_k 6.1700 +1.000Th+4 +1.000NO3- = ThNO3+3 log_k 1.3000 +1.000Th+4 +2.000NO3- = Th(NO3)2+2 log_k 2.3000 +1.000Th+4 +1.000H3PO4 -1.000H+ = ThH2PO4+3 log_k 3.4500 +1.000Th+4 +1.000H3PO4 = ThH3PO4+4 log_k 1.8900 +1.000Th+4 +2.000H3PO4 -2.000H+ = Th(H2PO4)2+2 log_k 6.2000 +1.000Th+4 +2.000H3PO4 -1.000H+ = Th(H3PO4)(H2PO4)+3 log_k 5.4200 +1.000Th+4 +1.000OH- +4.000CO3-2 = ThOH(CO3)4-5 log_k 35.6000 +1.000Th+4 +2.000OH- +2.000CO3-2 = Th(OH)2(CO3)2-2 log_k 36.8000 +1.000Th+4 +4.000OH- +1.000CO3-2 = Th(OH)4CO3-2 log_k 40.4000 +1.000Th+4 +1.000SCN- = ThSCN+3 log_k 2.0000 +1.000Th+4 +2.000SCN- = Th(SCN)2+2 log_k 3.4000 +4.000Ca+2 +1.000Th+4 +8.000H2O -8.000H+ = Ca4Th(OH)8+4 log_k -62.4000 # Th(IV) SUPPLEMENTAL DATA # ========================== +1.000Th+4 +6.000F- = ThF6-2 log_k 29.2300 +1.000Th+4 +2.000OH- +1.000CO3-2 = Th(OH)2CO3 log_k 30.5000 -gamma 0.00 0.00 +1.000Th+4 +3.000OH- +1.000CO3-2 = Th(OH)3CO3- log_k 38.3000 +1.000Th+4 +3.000Si(OH)4 +3.000H2O -6.000H+ = Th(OH)3(SiO(OH)3)3-2 log_k -27.8000 # U(IV) RECOMMENDED DATA ############################ +1.000U+4 +1.000H2O -1.000H+ = UOH+3 log_k -0.5400 +1.000U+4 +4.000H2O -4.000H+ = U(OH)4 log_k -10.0000 -gamma 0.00 0.00 +1.000U+4 +1.000F- = UF+3 log_k 9.4200 +1.000U+4 +2.000F- = UF2+2 log_k 16.5600 +1.000U+4 +3.000F- = UF3+ log_k 21.8900 +1.000U+4 +4.000F- = UF4 log_k 26.3400 -gamma 0.00 0.00 +1.000U+4 +5.000F- = UF5- log_k 27.7300 +1.000U+4 +6.000F- = UF6-2 log_k 29.8000 +1.000U+4 +1.000Cl- = UCl+3 log_k 1.7200 +1.000U+4 +1.000SO4-2 = USO4+2 log_k 6.5800 +1.000U+4 +2.000SO4-2 = U(SO4)2 log_k 10.5100 -gamma 0.00 0.00 +1.000U+4 +1.000NO3- = UNO3+3 log_k 1.4700 +1.000U+4 +2.000NO3- = U(NO3)2+2 log_k 2.3000 +1.000U+4 +4.000CO3-2 = U(CO3)4-4 log_k 35.2200 +1.000U+4 +5.000CO3-2 = U(CO3)5-6 log_k 34.1000 +1.000U+4 +1.000I- = UI+3 log_k 1.2500 +1.000U+4 +1.000SCN- = USCN+3 log_k 2.9700 +1.000U+4 +2.000SCN- = U(SCN)2+2 log_k 4.2600 # U(IV) SUPPLEMENTAL DATA # ========================== +1.000U+4 +2.000H2O -2.000H+ = U(OH)2+2 log_k -1.1000 +1.000U+4 +3.000H2O -3.000H+ = U(OH)3+ log_k -4.7000 +1.000U+4 +1.000CO3-2 +3.000H2O -3.000H+ = UCO3(OH)3- log_k 4.0000 # U(V) RECOMMENDED DATA ############################ +1.000UO2+ +3.000CO3-2 = UO2(CO3)3-5 log_k 6.9500 # U(VI) RECOMMENDED DATA ############################ +1.000UO2+2 +1.000H2O -1.000H+ = UO2OH+ log_k -5.2500 +1.000UO2+2 +2.000H2O -2.000H+ = UO2(OH)2 log_k -12.1500 -gamma 0.00 0.00 +1.000UO2+2 +3.000H2O -3.000H+ = UO2(OH)3- log_k -20.2500 +1.000UO2+2 +4.000H2O -4.000H+ = UO2(OH)4-2 log_k -32.4000 +2.000UO2+2 +1.000H2O -1.000H+ = (UO2)2OH+3 log_k -2.7000 +2.000UO2+2 +2.000H2O -2.000H+ = (UO2)2(OH)2+2 log_k -5.6200 +3.000UO2+2 +4.000H2O -4.000H+ = (UO2)3(OH)4+2 log_k -11.9000 +3.000UO2+2 +5.000H2O -5.000H+ = (UO2)3(OH)5+ log_k -15.5500 +3.000UO2+2 +7.000H2O -7.000H+ = (UO2)3(OH)7- log_k -32.2000 +4.000UO2+2 +7.000H2O -7.000H+ = (UO2)4(OH)7+ log_k -21.9000 +1.000UO2+2 +1.000F- = UO2F+ log_k 5.1600 +1.000UO2+2 +2.000F- = UO2F2 log_k 8.8300 -gamma 0.00 0.00 +1.000UO2+2 +3.000F- = UO2F3- log_k 10.9000 +1.000UO2+2 +4.000F- = UO2F4-2 log_k 11.8400 +1.000UO2+2 +1.000Cl- = UO2Cl+ log_k 0.1700 +1.000UO2+2 +2.000Cl- = UO2Cl2 log_k -1.1000 -gamma 0.00 0.00 +1.000UO2+2 +1.000SO4-2 = UO2SO4 log_k 3.1500 -gamma 0.00 0.00 +1.000UO2+2 +2.000SO4-2 = UO2(SO4)2-2 log_k 4.1400 +1.000UO2+2 +1.000NO3- = UO2NO3+ log_k 0.3000 +1.000UO2+2 +1.000PO4-3 = UO2PO4- log_k 13.2300 +1.000UO2+2 +1.000HPO4-2 = UO2HPO4 log_k 7.2400 -gamma 0.00 0.00 +1.000UO2+2 +1.000H3PO4 -1.000H+ = UO2H2PO4+ log_k 1.1200 +1.000UO2+2 +1.000H3PO4 = UO2H3PO4+2 log_k 0.7600 +1.000UO2+2 +2.000H3PO4 -2.000H+ = UO2(H2PO4)2 log_k 0.6400 -gamma 0.00 0.00 +1.000UO2+2 +1.000CO3-2 = UO2CO3 log_k 9.9400 -gamma 0.00 0.00 +1.000UO2+2 +2.000CO3-2 = UO2(CO3)2-2 log_k 16.6100 +1.000UO2+2 +3.000CO3-2 = UO2(CO3)3-4 log_k 21.8400 +3.000UO2+2 +6.000CO3-2 = (UO2)3(CO3)6-6 log_k 54.0000 +2.000UO2+2 +3.000H2O -3.000H+ +1.000CO3-2 = (UO2)2CO3(OH)3- log_k -0.8600 +1.000UO2+2 +2.000H3PO4 -1.000H+ = UO2H2PO4H3PO4+ log_k 1.6500 +3.000UO2+2 +1.000CO3-2 +3.000H2O -3.000H+ = (UO2)3O(OH)2HCO3+ log_k 0.6600 +1.000UO2+2 +1.000IO3- = UO2IO3+ log_k 2.0000 +1.000UO2+2 +2.000IO3- = UO2(IO3)2 log_k 3.5900 -gamma 0.00 0.00 +1.000UO2+2 +3.000SO4-2 = UO2(SO4)3-4 log_k 3.0200 +1.000UO2+2 +1.000HAsO4-2 = UO2HAsO4 log_k 7.1600 -gamma 0.00 0.00 +1.000UO2+2 +1.000H3AsO4 -1.000H+ = UO2H2AsO4+ log_k 1.3400 +1.000UO2+2 +2.000H3AsO4 -2.000H+ = UO2(H2AsO4)2 log_k 0.2900 -gamma 0.00 0.00 +1.000UO2+2 +1.000CO3-2 +1.000F- = UO2CO3F- log_k 13.7500 +1.000UO2+2 +1.000CO3-2 +2.000F- = UO2CO3F2-2 log_k 15.5700 +1.000UO2+2 +1.000CO3-2 +3.000F- = UO2CO3F3-3 log_k 16.3800 +1.000UO2+2 +1.000SiO(OH)3- = UO2SiO(OH)3+ log_k 7.8000 +1.000UO2+2 +1.000SCN- = UO2SCN+ log_k 1.4000 +1.000UO2+2 +2.000SCN- = UO2(SCN)2 log_k 1.2400 -gamma 0.00 0.00 +1.000UO2+2 +3.000SCN- = UO2(SCN)3- log_k 2.1000 # U(VI) SUPPLEMENTAL DATA # ========================== +1.000Mg+2 +1.000UO2+2 +3.000CO3-2 = MgUO2(CO3)3-2 log_k 26.1100 +1.000Ca+2 +1.000UO2+2 +3.000CO3-2 = CaUO2(CO3)3-2 log_k 27.1800 +2.000Ca+2 +1.000UO2+2 +3.000CO3-2 = Ca2UO2(CO3)3 log_k 29.2200 -gamma 0.00 0.00 +1.000Sr+2 +1.000UO2+2 +3.000CO3-2 = SrUO2(CO3)3-2 log_k 26.8600 +1.000Ba+2 +1.000UO2+2 +3.000CO3-2 = BaUO2(CO3)3-2 log_k 26.6800 +2.000Ba+2 +1.000UO2+2 +3.000CO3-2 = Ba2UO2(CO3)3 log_k 29.7500 -gamma 0.00 0.00 # Np(III) RECOMMENDED DATA ############################ +1.000Np+3 +1.000H2O -1.000H+ = NpOH+2 log_k -6.8000 # Np(III) SUPPLEMENTAL DATA # ========================== +1.000Np+3 +2.000H2O -2.000H+ = Np(OH)2+ log_k -14.7000 +1.000Np+3 +3.000H2O -3.000H+ = Np(OH)3 log_k -25.8000 -gamma 0.00 0.00 +1.000Np+3 +1.000F- = NpF+2 log_k 3.4000 +1.000Np+3 +2.000F- = NpF2+ log_k 5.8000 +1.000Np+3 +1.000Cl- = NpCl+2 log_k 0.2400 +1.000Np+3 +2.000Cl- = NpCl2+ log_k -0.7400 +1.000Np+3 +1.000SO4-2 = NpSO4+ log_k 3.3000 +1.000Np+3 +2.000SO4-2 = Np(SO4)2- log_k 3.7000 +1.000Np+3 +1.000CO3-2 = NpCO3+ log_k 8.0000 +1.000Np+3 +2.000CO3-2 = Np(CO3)2- log_k 12.9000 +1.000Np+3 +3.000CO3-2 = Np(CO3)3-3 log_k 15.0000 +1.000Np+3 +1.000SiO(OH)3- = NpSiO(OH)3+2 log_k 8.1000 # Np(IV) RECOMMENDED DATA ############################ +1.000Np+4 +1.000H2O -1.000H+ = NpOH+3 log_k 0.5500 +1.000Np+4 +4.000H2O -4.000H+ = Np(OH)4 log_k -8.3000 -gamma 0.00 0.00 +1.000Np+4 +1.000F- = NpF+3 log_k 8.9600 +1.000Np+4 +2.000F- = NpF2+2 log_k 15.7000 +1.000Np+4 +1.000Cl- = NpCl+3 log_k 1.5000 +1.000Np+4 +1.000SO4-2 = NpSO4+2 log_k 6.8500 +1.000Np+4 +2.000SO4-2 = Np(SO4)2 log_k 11.0500 -gamma 0.00 0.00 +1.000Np+4 +1.000NO3- = NpNO3+3 log_k 1.9000 +1.000Np+4 +4.000CO3-2 = Np(CO3)4-4 log_k 38.9000 +1.000Np+4 +5.000CO3-2 = Np(CO3)5-6 log_k 37.8000 +1.000Np+4 +2.000H2O -2.000H+ = Np(OH)2+2 log_k 0.3500 +1.000Np+4 +1.000I- = NpI+3 log_k 1.5000 +1.000Np+4 +1.000SCN- = NpSCN+3 log_k 3.0000 +1.000Np+4 +2.000SCN- = Np(SCN)2+2 log_k 4.1000 +1.000Np+4 +3.000SCN- = Np(SCN)3+ log_k 4.8000 # Np(IV) SUPPLEMENTAL DATA # ========================== +1.000Np+4 +3.000H2O -3.000H+ = Np(OH)3+ log_k -2.8000 +1.000Np+4 +1.000CO3-2 +3.000H2O -3.000H+ = NpCO3(OH)3- log_k 2.0000 +1.000Np+4 +1.000SiO(OH)3- = NpSiO(OH)3+3 log_k 11.2000 # Np(V) RECOMMENDED DATA ############################ +1.000NpO2+ +1.000H2O -1.000H+ = NpO2(OH) log_k -11.3000 -gamma 0.00 0.00 +1.000NpO2+ +2.000H2O -2.000H+ = NpO2(OH)2- log_k -23.6000 +1.000NpO2+ +1.000F- = NpO2F log_k 1.2000 -gamma 0.00 0.00 +1.000NpO2+ +1.000SO4-2 = NpO2SO4- log_k 0.4400 +1.000NpO2+ +1.000HPO4-2 = NpO2HPO4- log_k 2.9500 +1.000NpO2+ +1.000CO3-2 = NpO2CO3- log_k 4.9600 +1.000NpO2+ +2.000CO3-2 = NpO2(CO3)2-3 log_k 6.5300 +1.000NpO2+ +3.000CO3-2 = NpO2(CO3)3-5 log_k 5.5000 +1.000NpO2+ +2.000CO3-2 +1.000H2O -1.000H+ = NpO2(CO3)2OH-4 log_k -5.3000 +1.000NpO2+ +1.000IO3- = NpO2IO3 log_k 0.5000 -gamma 0.00 0.00 # Np(V) SUPPLEMENTAL DATA # ========================== +1.000NpO2+ +1.000SiO(OH)3- = NpO2SiO(OH)3 log_k 7.0000 -gamma 0.00 0.00 +1.000NpO2+ +1.000SCN- = NpO2SCN log_k 0.0800 -gamma 0.00 0.00 # Np(VI) RECOMMENDED DATA ############################ +1.000NpO2+2 +1.000H2O -1.000H+ = NpO2OH+ log_k -5.1000 +2.000NpO2+2 +2.000H2O -2.000H+ = (NpO2)2(OH)2+2 log_k -6.2700 +3.000NpO2+2 +5.000H2O -5.000H+ = (NpO2)3(OH)5+ log_k -17.1200 +1.000NpO2+2 +1.000F- = NpO2F+ log_k 4.5700 +1.000NpO2+2 +2.000F- = NpO2F2 log_k 7.6000 -gamma 0.00 0.00 +1.000NpO2+2 +1.000Cl- = NpO2Cl+ log_k 0.4000 +1.000NpO2+2 +1.000SO4-2 = NpO2SO4 log_k 3.2800 -gamma 0.00 0.00 +1.000NpO2+2 +2.000SO4-2 = NpO2(SO4)2-2 log_k 4.7000 +1.000NpO2+2 +1.000CO3-2 = NpO2CO3 log_k 9.3200 -gamma 0.00 0.00 +1.000NpO2+2 +2.000CO3-2 = NpO2(CO3)2-2 log_k 16.5200 +1.000NpO2+2 +3.000CO3-2 = NpO2(CO3)3-4 log_k 19.3700 +3.000NpO2+2 +6.000CO3-2 = (NpO2)3(CO3)6-6 log_k 49.8400 +2.000NpO2+2 +1.000CO3-2 +3.000H2O -3.000H+ = (NpO2)2CO3(OH)3- log_k -2.8700 +1.000NpO2+2 +1.000HPO4-2 = NpO2HPO4 log_k 6.2000 -gamma 0.00 0.00 +1.000NpO2+2 +1.000H2PO4- = NpO2H2PO4+ log_k 3.3200 +1.000NpO2+2 +2.000HPO4-2 = NpO2(HPO4)2-2 log_k 9.5000 +1.000NpO2+2 +1.000IO3- = NpO2IO3+ log_k 1.2000 # Np(VI) SUPPLEMENTAL DATA # ========================== +1.000NpO2+2 +3.000H2O -3.000H+ = NpO2(OH)3- log_k -20.0000 +1.000NpO2+2 +4.000H2O -4.000H+ = NpO2(OH)4-2 log_k -32.0000 +1.000NpO2+2 +1.000SiO(OH)3- = NpO2SiO(OH)3+ log_k 7.2000 +1.000NpO2+2 +1.000SiO2(OH)2-2 = NpO2SiO2(OH)2 log_k 16.5000 -gamma 0.00 0.00 # Pu(III) RECOMMENDED DATA ############################ +1.000Pu+3 +1.000H2O -1.000H+ = PuOH+2 log_k -6.9000 +1.000Pu+3 +1.000SO4-2 = PuSO4+ log_k 3.9000 +1.000Pu+3 +2.000SO4-2 = Pu(SO4)2- log_k 5.7000 +1.000Pu+3 +1.000SCN- = PuSCN+2 log_k 1.3000 # Pu(III) SUPPLEMENTAL DATA # ========================== +1.000Pu+3 +2.000H2O -2.000H+ = Pu(OH)2+ log_k -14.8000 +1.000Pu+3 +3.000H2O -3.000H+ = Pu(OH)3 log_k -25.9000 -gamma 0.00 0.00 +1.000Pu+3 +1.000F- = PuF+2 log_k 3.4000 +1.000Pu+3 +2.000F- = PuF2+ log_k 5.8000 +1.000Pu+3 +1.000Cl- = PuCl+2 log_k 1.2000 +1.000Pu+3 +1.000CO3-2 = PuCO3+ log_k 8.0000 +1.000Pu+3 +2.000CO3-2 = Pu(CO3)2- log_k 12.9000 +1.000Pu+3 +3.000CO3-2 = Pu(CO3)3-3 log_k 15.0000 +1.000Pu+3 +1.000SiO(OH)3- = PuSiO(OH)3+2 log_k 8.1000 # Pu(IV) RECOMMENDED DATA ############################ +1.000Pu+4 +1.000H2O -1.000H+ = PuOH+3 log_k 0.0000 +1.000Pu+4 +4.000H2O -4.000H+ = Pu(OH)4 log_k -9.3000 -gamma 0.00 0.00 +1.000Pu+4 +1.000F- = PuF+3 log_k 8.8400 +1.000Pu+4 +2.000F- = PuF2+2 log_k 15.7000 +1.000Pu+4 +1.000Cl- = PuCl+3 log_k 1.8000 +1.000Pu+4 +1.000SO4-2 = PuSO4+2 log_k 6.8900 +1.000Pu+4 +2.000SO4-2 = Pu(SO4)2 log_k 11.1400 -gamma 0.00 0.00 +1.000Pu+4 +1.000NO3- = PuNO3+3 log_k 1.9500 +1.000Pu+4 +1.000H3PO4 = PuH3PO4+4 log_k 2.4000 +1.000Pu+4 +4.000CO3-2 = Pu(CO3)4-4 log_k 37.0000 +1.000Pu+4 +5.000CO3-2 = Pu(CO3)5-6 log_k 35.6500 +1.000Pu+4 +2.000H2O -2.000H+ = Pu(OH)2+2 log_k -1.2000 +1.000Pu+4 +3.000H2O -3.000H+ = Pu(OH)3+ log_k -3.1000 # Pu(IV) SUPPLEMENTAL DATA # ========================== +1.000Pu+4 +1.000SiO(OH)3- = PuSiO(OH)3+3 log_k 11.8000 +4.000Ca+2 +1.000Pu+4 +8.000H2O -8.000H+ = Ca4Pu(OH)8+4 log_k -55.7000 +1.000Pu+4 +1.000CO3-2 +3.000H2O -3.000H+ = PuCO3(OH)3- log_k 6.0000 # Pu(V) RECOMMENDED DATA ############################ +1.000PuO2+ +1.000H2O -1.000H+ = PuO2OH log_k -9.7300 -gamma 0.00 0.00 +1.000PuO2+ +1.000CO3-2 = PuO2CO3- log_k 5.1200 +1.000PuO2+ +3.000CO3-2 = PuO2(CO3)3-5 log_k 5.0300 # Pu(VI) RECOMMENDED DATA ############################ +1.000PuO2+2 +1.000H2O -1.000H+ = PuO2OH+ log_k -5.5000 +1.000PuO2+2 +2.000H2O -2.000H+ = PuO2(OH)2 log_k -13.2000 -gamma 0.00 0.00 +2.000PuO2+2 +2.000H2O -2.000H+ = (PuO2)2(OH)2+2 log_k -7.5000 +1.000PuO2+2 +1.000F- = PuO2F+ log_k 4.5600 +1.000PuO2+2 +2.000F- = PuO2F2 log_k 7.2500 -gamma 0.00 0.00 +1.000PuO2+2 +1.000Cl- = PuO2Cl+ log_k 0.2300 +1.000PuO2+2 +2.000Cl- = PuO2Cl2 log_k -1.1500 -gamma 0.00 0.00 +1.000PuO2+2 +1.000SO4-2 = PuO2SO4 log_k 3.3800 -gamma 0.00 0.00 +1.000PuO2+2 +2.000SO4-2 = PuO2(SO4)2-2 log_k 4.4000 +1.000PuO2+2 +1.000CO3-2 = PuO2CO3 log_k 9.5000 -gamma 0.00 0.00 +1.000PuO2+2 +2.000CO3-2 = PuO2(CO3)2-2 log_k 14.7000 +1.000PuO2+2 +3.000CO3-2 = PuO2(CO3)3-4 log_k 18.0000 # Pu(VI) SUPPLEMENTAL DATA # ========================== +1.000PuO2+2 +1.000SiO(OH)3- = PuO2SiO(OH)3+ log_k 6.0000 +1.000PuO2+2 +1.000SiO2(OH)2-2 = PuO2SiO2(OH)2 log_k 12.6000 -gamma 0.00 0.00 # RECOMMENDED DATA # U(VI) # Np(VI) Mixed # Pu(VI) ############################ +2.000UO2+2 +1.000NpO2+2 +6.000CO3-2 = (UO2)2NpO2(CO3)6-6 log_k 53.5900 +2.000UO2+2 +1.000PuO2+2 +6.000CO3-2 = (UO2)2PuO2(CO3)6-6 log_k 52.7000 # Am(III) RECOMMENDED DATA ############################ +1.000Am+3 +1.000H2O -1.000H+ = AmOH+2 log_k -7.2000 +1.000Am+3 +2.000H2O -2.000H+ = Am(OH)2+ log_k -15.1000 +1.000Am+3 +3.000H2O -3.000H+ = Am(OH)3 log_k -26.2000 -gamma 0.00 0.00 +1.000Am+3 +1.000F- = AmF+2 log_k 3.4000 +1.000Am+3 +2.000F- = AmF2+ log_k 5.8000 +1.000Am+3 +1.000Cl- = AmCl+2 log_k 0.2400 +1.000Am+3 +1.000SO4-2 = AmSO4+ log_k 3.3000 +1.000Am+3 +2.000SO4-2 = Am(SO4)2- log_k 3.7000 +1.000Am+3 +1.000NO3- = AmNO3+2 log_k 1.3300 +1.000Am+3 +1.000H2PO4- = AmH2PO4+2 log_k 3.0000 +1.000Am+3 +1.000CO3-2 = AmCO3+ log_k 8.0000 +1.000Am+3 +2.000CO3-2 = Am(CO3)2- log_k 12.9000 +1.000Am+3 +3.000CO3-2 = Am(CO3)3-3 log_k 15.0000 +1.000Am+3 +1.000SiO(OH)3- = AmSiO(OH)3+2 log_k 8.1000 +1.000Am+3 +2.000Cl- = AmCl2+ log_k -0.7400 +1.000Am+3 +1.000HCO3- = AmHCO3+2 log_k 3.1000 +1.000Am+3 +1.000SCN- = AmSCN+2 log_k 1.3000 # Am(III) SUPPLEMENTAL DATA # ========================== +1.000Ca+2 +1.000Am+3 +3.000H2O -3.000H+ = CaAm(OH)3+2 log_k -26.3000 +2.000Ca+2 +1.000Am+3 +4.000H2O -4.000H+ = Ca2Am(OH)4+3 log_k -37.2000 +3.000Ca+2 +1.000Am+3 +6.000H2O -6.000H+ = Ca3Am(OH)6+3 log_k -60.7000 # Am(V) RECOMMENDED DATA ############################ +1.000AmO2+ +1.000H2O -1.000H+ = AmO2OH log_k -11.3000 -gamma 0.00 0.00 +1.000AmO2+ +2.000H2O -2.000H+ = AmO2(OH)2- log_k -23.6000 +1.000AmO2+ +1.000CO3-2 = AmO2CO3- log_k 5.1000 +1.000AmO2+ +2.000CO3-2 = AmO2(CO3)2-3 log_k 6.7000 +1.000AmO2+ +3.000CO3-2 = AmO2(CO3)3-5 log_k 5.1000 # Cm(III) RECOMMENDED DATA ############################ +1.000Cm+3 +1.000H2O -1.000H+ = CmOH+2 log_k -7.2000 +1.000Cm+3 +2.000H2O -2.000H+ = Cm(OH)2+ log_k -15.1000 +1.000Cm+3 +3.000H2O -3.000H+ = Cm(OH)3 log_k -26.2000 -gamma 0.00 0.00 +1.000Cm+3 +1.000F- = CmF+2 log_k 3.4000 +1.000Cm+3 +2.000F- = CmF2+ log_k 5.8000 +1.000Cm+3 +1.000Cl- = CmCl+2 log_k 0.2400 +1.000Cm+3 +2.000Cl- = CmCl2+ log_k -0.7400 +1.000Cm+3 +1.000SO4-2 = CmSO4+ log_k 3.3000 +1.000Cm+3 +2.000SO4-2 = Cm(SO4)2- log_k 3.7000 +1.000Cm+3 +1.000NO3- = CmNO3+2 log_k 1.3300 +1.000Cm+3 +1.000H2PO4- = CmH2PO4+2 log_k 3.0000 +1.000Cm+3 +1.000CO3-2 = CmCO3+ log_k 8.0000 +1.000Cm+3 +2.000CO3-2 = Cm(CO3)2- log_k 12.9000 +1.000Cm+3 +3.000CO3-2 = Cm(CO3)3-3 log_k 15.0000 +1.000Cm+3 +1.000HCO3- = CmHCO3+2 log_k 3.1000 +1.000Cm+3 +1.000SiO(OH)3- = CmSiO(OH)3+2 log_k 8.1000 +1.000Cm+3 +1.000SCN- = CmSCN+2 log_k 1.3000 # Cm(III) SUPPLEMENTAL DATA # ========================== +1.000Ca+2 +1.000Cm+3 +3.000H2O -3.000H+ = CaCm(OH)3+2 log_k -26.3000 +2.000Ca+2 +1.000Cm+3 +4.000H2O -4.000H+ = Ca2Cm(OH)4+3 log_k -37.2000 +3.000Ca+2 +1.000Cm+3 +6.000H2O -6.000H+ = Ca3Cm(OH)6+3 log_k -60.7000 PHASES # PMATCH MINERALS # Minerals RECOMMENDED DATA ############################ Anhydrite CaSO4 = +1.000Ca+2 +1.000SO4-2 log_k -4.3575 Aragonite CaCO3 = +1.000Ca+2 -1.000H+ +1.000HCO3- log_k 1.9928 As(cr) As = +1.000HAsO4-2 +7.000H+ +5.000e- -4.000H2O log_k -40.9892 Barite BaSO4 = +1.000Ba+2 +1.000SO4-2 log_k -9.9704 Brucite Mg(OH)2 = +1.000Mg+2 +2.000H2O -2.000H+ log_k 16.8400 Calcite CaCO3 = +1.000Ca+2 -1.000H+ +1.000HCO3- log_k 1.8490 Celestite SrSO4 = +1.000Sr+2 +1.000SO4-2 log_k -6.6319 Dolomite(dis) CaMg(CO3)2 = +1.000Ca+2 +1.000Mg+2 -2.000H+ +2.000HCO3- log_k 4.1180 Dolomite(ord) CaMg(CO3)2 = +1.000Ca+2 +1.000Mg+2 -2.000H+ +2.000HCO3- log_k 3.5680 Fe(cr) Fe = +1.000Fe+2 +2.000e- log_k 13.8226 Fluorite CaF2 = +1.000Ca+2 +2.000F- log_k -10.5997 Goethite FeOOH = +2.000H2O -3.000H+ +1.000Fe+3 log_k -1.0000 Graphite C = +1.000HCO3- +5.000H+ +4.000e- -3.000H2O log_k -21.8192 Gypsum CaSO4:2H2O = +1.000Ca+2 +1.000SO4-2 +2.000H2O log_k -4.5809 Hausmannite MnMn2O4 = +3.000Mn+2 +4.000H2O -8.000H+ -2.000e- log_k 61.0300 Manganite MnOOH = +1.000Mn+2 +2.000H2O -3.000H+ -1.000e- log_k 25.3400 Melanterite FeSO4:7H2O = +1.000Fe+2 +1.000SO4-2 +7.000H2O log_k -2.2093 Mo(cr) Mo = +1.000MoO4-2 +8.000H+ +6.000e- -4.000H2O log_k 19.6670 # bug: log_k entered manually Tugarinovite MoO2 = +1.000MoO4-2 +4.000H+ +2.000e- -2.000H2O log_k 29.9560 # bug: log_k entered manually Molybdite MoO3 = +1.000MoO4-2 +2.000H+ -1.000H2O log_k 12.0550 # bug: log_k entered manually Nb2O5(cr) Nb2O5 = +2.000NbO3- +2.000H+ -1.000H2O log_k 24.3410 # bug: log_k entered manually NbO2(cr) NbO2 = +1.000NbO3- +2.000H+ +1.000e- -1.000H2O log_k 7.9780 # bug: log_k entered manually Portlandite Ca(OH)2 = +1.000Ca+2 +2.000H2O -2.000H+ log_k 22.8000 Pyrochroite Mn(OH)2 = +1.000Mn+2 +2.000H2O -2.000H+ log_k 15.2000 Pyrolusite MnO2 = +1.000Mn+2 +2.000H2O -4.000H+ -2.000e- log_k 41.3800 Rhodochrosite MnCO3 = +1.000Mn+2 +1.000HCO3- -1.000H+ log_k -0.8011 Rhodochrosite(syn) MnCO3 = +1.000Mn+2 +1.000HCO3- -1.000H+ log_k -0.0611 Siderite FeCO3 = +1.000Fe+2 +1.000HCO3- -1.000H+ log_k -0.5612 FeCO3(pr) FeCO3 = +1.000Fe+2 +1.000HCO3- -1.000H+ log_k -0.1211 Strontianite SrCO3 = +1.000Sr+2 -1.000H+ +1.000HCO3- log_k 1.0583 Witherite BaCO3 = +1.000Ba+2 -1.000H+ +1.000HCO3- log_k 1.7672 Hematite Fe2O3 = +3.000H2O -6.000H+ +2.000Fe+3 log_k 1.1200 Pyrite FeS2 = +1.000Fe+2 +2.000HS- -2.000H+ -2.000e- log_k -18.5000 Troilite FeS = +1.000Fe+2 +1.000HS- -1.000H+ log_k -5.3100 Magnesite MgCO3 = +1.000Mg+2 -1.000H+ +1.000HCO3- log_k 2.0410 S(rhomb) S = +1.000HS- -1.000H+ -2.000e- log_k -2.1440 Fe(OH)3(am) Fe(OH)3 = +3.000H2O -3.000H+ +1.000Fe+3 log_k 5.0000 Fe(OH)3(mic) Fe(OH)3 = +3.000H2O -3.000H+ +1.000Fe+3 log_k 3.0000 Magnetite FeFe2O4 = +1.000Fe+2 +4.000H2O -8.000H+ +2.000Fe+3 log_k 10.0200 Gibbsite Al(OH)3 = +1.000Al+3 +3.000H2O -3.000H+ log_k 7.7559 # Si(IV) RECOMMENDED DATA ############################ Quartz SiO2 = +1.000Si(OH)4 -2.000H2O log_k -3.7460 SiO2(am) SiO2 = +1.000Si(OH)4 -2.000H2O log_k -2.7140 Kaolinite Al2Si2O5(OH)4 = +2.000Al+3 +2.000Si(OH)4 +1.000H2O -6.000H+ log_k 7.4350 # Ni(II) RECOMMENDED DATA ############################ NiCO3(cr) NiCO3 = +1.000Ni+2 +1.000CO3-2 log_k -11.0000 Ni(OH)2(cr, beta) Ni(OH)2 = +1.000Ni+2 +2.000H2O -2.000H+ log_k 11.0200 NiO(cr) NiO = +1.000Ni+2 +1.000H2O -2.000H+ log_k 12.4800 NiCO3:5.5H2O(s) NiCO3:5.5H2O = +1.000Ni+2 +1.000CO3-2 +5.500H2O log_k -7.5300 Ni3(AsO4)2:8H2O(s) Ni3(AsO4)2:8H2O = +3.000Ni+2 +2.000AsO4-3 +8.000H2O log_k -28.1000 # Se(-II) SUPPLEMENTAL DATA # ========================== MnSe(s) MnSe = +1.000Mn+2 +1.000Se-2 log_k -16.0000 # Se(IV) RECOMMENDED DATA ############################ Se(cr) Se = +1.000SeO3-2 +6.000H+ +4.000e- -3.000H2O log_k -61.1500 NiSeO3:2H2O(cr) NiSeO3:2H2O = +1.000Ni+2 +1.000SeO3-2 +2.000H2O log_k -5.8000 MnSeO3:2H2O(cr) MnSeO3:2H2O = +1.000Mn+2 +1.000SeO3-2 +2.000H2O log_k -7.6000 MgSeO3:6H2O(cr) MgSeO3:6H2O = +1.000Mg+2 +1.000SeO3-2 +6.000H2O log_k -5.8200 CaSeO3:H2O(cr) CaSeO3:H2O = +1.000Ca+2 +1.000SeO3-2 +1.000H2O log_k -6.4000 SrSeO3(cr) SrSeO3 = +1.000Sr+2 +1.000SeO3-2 log_k -6.3000 BaSeO3(cr) BaSeO3 = +1.000Ba+2 +1.000SeO3-2 log_k -6.5000 # Se(VI) RECOMMENDED DATA ############################ BaSeO4(cr) BaSeO4 = +1.000Ba+2 +1.000SeO4-2 log_k -7.5600 # Zr(IV) RECOMMENDED DATA ############################ Baddeleyite ZrO2 = +1.000Zr+4 +2.000H2O -4.000H+ log_k -7.0000 Zr(OH)4(am,fr) Zr(OH)4 = +1.000Zr+4 +4.000H2O -4.000H+ log_k -3.2400 # Zr(IV) SUPPLEMENTAL DATA # ========================== Zr(HPO4)2:H2O(cr) Zr(HPO4)2:H2O = +1.000Zr+4 +2.000H3PO4 +1.000H2O -4.000H+ log_k -22.8000 # Tc(IV) RECOMMENDED DATA ############################ TcO2:1.6H2O(s) TcO2:1.6H2O = +1.000TcO(OH)2 +0.600H2O log_k -8.4000 # Pd(II) RECOMMENDED DATA ############################ Pd(cr) Pd = +1.000Pd+2 +2.000e- log_k -30.8000 Pd(OH)2(s) Pd(OH)2 = +1.000Pd+2 -2.000H+ +2.000H2O log_k -3.3000 # Tn(II) RECOMMENDED DATA ############################ Tn(cr) Tn = +1.00Tn+2 +2.000e- log_k 4.6300 TnO(s) TnO = +1.000Tn+2 +1.000H2O -2.000H+ log_k 2.5000 TnS(pr) TnS = +1.000Tn+2 +1.000HS- -1.000H+ log_k -14.7000 # Sn(IV) RECOMMENDED DATA ############################ Cassiterite SnO2 = +1.000Sn(OH)4 -2.000H2O log_k -8.0000 SnO2(am) SnO2 = +1.000Sn(OH)4 -2.000H2O log_k -7.3000 CaSn(OH)6(s) CaSn(OH)6 = +1.000Sn(OH)4 +2.000H2O +1.000Ca+2 -2.000H+ log_k 8.7000 # Ra(II) RECOMMENDED DATA ############################ RaCO3(cr) RaCO3 = +1.000Ra+2 +1.000CO3-2 log_k -8.3000 RaSO4(cr) RaSO4 = +1.000Ra+2 +1.000SO4-2 log_k -10.2600 # Eu(III) RECOMMENDED DATA ############################ Eu(OH)3(cr) Eu(OH)3 = +1.000Eu+3 +3.000H2O -3.000H+ log_k 14.9000 Eu(OH)3(am) Eu(OH)3 = +1.000Eu+3 +3.000H2O -3.000H+ log_k 17.6000 Eu2(CO3)3(cr) Eu2(CO3)3 = +2.000Eu+3 +3.000CO3-2 log_k -35.0000 EuOHCO3(cr) EuOHCO3 = +1.000Eu+3 +1.000OH- +1.000CO3-2 log_k -21.7000 EuF3(cr) EuF3 = +1.000Eu+3 +3.000F- log_k -17.4000 # Th(IV) RECOMMENDED DATA ############################ ThO2(am,hyd,fr) ThO2 = +1.000Th+4 +2.000H2O -4.000H+ log_k 9.3000 ThO2(am,hyd,ag) ThO2 = +1.000Th+4 +2.000H2O -4.000H+ log_k 8.5000 ThF4(cr,hyd) ThF4 = +1.000Th+4 +4.000F- log_k -31.8000 Na6Th(CO3)5:12H2O(cr) Na6Th(CO3)5:12H2O = +6.000Na+ +1.000Th+4 +5.000CO3-2 +12.000H2O log_k -42.2000 # Th(IV) SUPPLEMENTAL DATA # ========================== Th3(PO4)4(s) Th3(PO4)4 = +3.000Th+4 +4.000PO4-3 log_k -112.0000 # U(IV) RECOMMENDED DATA ############################ UF4:2.5H2O(cr) UF4:2.5H2O = +1.000U+4 +4.000F- +2.500H2O log_k -30.1200 U(OH)2SO4(cr) U(OH)2SO4 = +1.000U+4 +1.000SO4-2 +2.000H2O -2.000H+ log_k -3.1700 UO2(am,hyd) UO2 = +1.000U+4 +2.000H2O -4.000H+ log_k 1.5000 # U(IV) SUPPLEMENTAL DATA # ========================== USiO4(s) USiO4 = +1.000U+4 +1.000Si(OH)4 -4.000H+ log_k -1.5000 # U(VI) RECOMMENDED DATA ############################ Rutherfordine UO2CO3 = +1.000UO2+2 +1.000CO3-2 log_k -14.7600 Chernikovite UO2HPO4:4H2O = +1.000UO2+2 +1.000H3PO4 +4.000H2O -2.000H+ log_k -2.5000 (UO2)3(PO4)2:4H2O(cr) (UO2)3(PO4)2:4H2O = +3.000UO2+2 +2.000H3PO4 +4.000H2O -6.000H+ log_k -5.9600 Metaschoepite UO3:2H2O = +1.000UO2+2 +3.000H2O -2.000H+ log_k 5.9600 Becquerelite CaU6O19:11H2O = +1.000Ca+2 +6.000UO2+2 +18.000H2O -14.000H+ log_k 40.5000 Compreignacite K2U6O19:11H2O = +2.000K+ +6.000UO2+2 +18.000H2O -14.000H+ log_k 37.1000 # U(VI) SUPPLEMENTAL DATA # ========================== Soddyite (UO2)2SiO4:2H2O = +2.000UO2+2 +1.000Si(OH)4 +2.000H2O -4.000H+ log_k 6.2000 Uranophane Ca(H3O)2(UO2)2(SiO4)2:3H2O = +1.000Ca+2 +2.000UO2+2 +2.000Si(OH)4 +5.000H2O -6.000H+ log_k 9.4000 Na-Boltwoodite Na(H3O)UO2SiO4:H2O = +1.000Na+ +1.000UO2+2 +1.000Si(OH)4 +2.000H2O -3.000H+ log_k 5.8000 Na-Weeksite Na2(UO2)2(Si2O5)3:4H2O = +2.000Na+ +2.000UO2+2 +6.000Si(OH)4 -6.000H+ -5.000H2O log_k 1.5000 # Np(IV) RECOMMENDED DATA ############################ NpO2(am,hyd) NpO2 = +1.000Np+4 +2.000H2O -4.000H+ log_k -0.7000 # Np(V) RECOMMENDED DATA ############################ NpO2OH(am,fr) NpO2OH = +1.000NpO2+ +1.000H2O -1.000H+ log_k 5.3000 NaNpO2CO3:3.5H2O(cr) NaNpO2CO3:3.5H2O = +1.000Na+ +1.000NpO2+ +1.000CO3-2 +3.500H2O log_k -11.0000 Na3NpO2(CO3)2(cr) Na3NpO2(CO3)2 = +3.000Na+ +1.000NpO2+ +2.000CO3-2 log_k -14.2200 KNpO2CO3(s) KNpO2CO3 = +1.000K+ +1.000NpO2+ +1.000CO3-2 log_k -13.1500 K3NpO2(CO3)2(s) K3NpO2(CO3)2 = +3.000K+ +1.000NpO2+ +2.000CO3-2 log_k -15.4600 NpO2OH(am,ag) NpO2OH = +1.000NpO2+ +1.000H2O -1.000H+ log_k 4.7000 # Np(VI) RECOMMENDED DATA ############################ NpO2CO3(s) NpO2CO3 = +1.000NpO2+2 +1.000CO3-2 log_k -14.6000 NpO3:H2O(cr) NpO3:H2O = +1.000NpO2+2 +2.000H2O -2.000H+ log_k 5.4700 K4NpO2(CO3)3(s) K4NpO2(CO3)3 = +4.000K+ +1.000NpO2+2 +3.000CO3-2 log_k -26.4000 (NH4)4NpO2(CO3)3(s) (NH4)4NpO2(CO3)3 = +4.000NH4+ +1.000NpO2+2 +3.000CO3-2 log_k -26.8100 # Pu(III) RECOMMENDED DATA ############################ Pu(OH)3(cr) Pu(OH)3 = +1.000Pu+3 +3.000H2O -3.000H+ log_k 15.8000 PuPO4(s,hyd) PuPO4 = +1.000Pu+3 +1.000PO4-3 log_k -24.6000 # Pu(IV) RECOMMENDED DATA ############################ Pu(HPO4)2(am,hyd) Pu(HPO4)2 = +1.000Pu+4 +2.000HPO4-2 log_k -30.4500 PuO2(hyd,ag) PuO2 = +1.000Pu+4 +2.000H2O -4.000H+ log_k -2.3300 # Pu(V) RECOMMENDED DATA ############################ PuO2OH(am) PuO2OH = +1.000PuO2+ +1.000H2O -1.000H+ log_k 5.0000 # Pu(VI) RECOMMENDED DATA ############################ PuO2(OH)2:H2O(cr) PuO2(OH)2:H2O = +1.000PuO2+2 +3.000H2O -2.000H+ log_k 5.5000 PuO2CO3(s) PuO2CO3 = +1.000PuO2+2 +1.000CO3-2 log_k -14.6500 # Am(III) RECOMMENDED DATA ############################ Am(OH)3(cr) Am(OH)3 = +1.000Am+3 +3.000H2O -3.000H+ log_k 15.6000 Am(OH)3(am) Am(OH)3 = +1.000Am+3 +3.000H2O -3.000H+ log_k 16.9000 Am(CO3)1.5(am,hyd) Am(CO3)1.5 = +1.000Am+3 +1.500CO3-2 log_k -16.7000 AmOHCO3:0.5H2O(cr) AmOHCO3:0.5H2O = +1.000Am+3 +1.000OH- +1.000CO3-2 +0.500H2O log_k -22.4000 AmOHCO3(am,hyd) AmOHCO3 = +1.000Am+3 +1.000OH- +1.000CO3-2 log_k -20.2000 NaAm(CO3)2:5H2O(cr) NaAm(CO3)2:5H2O = +1.000Na+ +1.000Am+3 +2.000CO3-2 +5.000H2O log_k -21.0000 # Am(V) RECOMMENDED DATA ############################ AmO2OH(am) AmO2OH = +1.000AmO2+ +1.000H2O -1.000H+ log_k 5.3000 NaAmO2CO3(s) NaAmO2CO3 = +1.000Na+ +1.000AmO2+ +1.000CO3-2 log_k -10.9000 # Cm(III) SUPPLEMENTAL DATA # ========================== Cm(OH)3(am,coll) Cm(OH)3 = +1.000Cm+3 +3.000H2O -3.000H+ log_k 17.2000 # PMATCH GASES CH4(g) CH4 = +1.000CH4 log_k -2.8565 CO2(g) CO2 = +1.000H+ -1.000H2O +1.000HCO3- log_k -7.8198 H2(g) H2 = +1.000H2 log_k -3.1056 N2(g) N2 = +1.000N2 log_k -3.1864 O2(g) O2 = +1.000O2 log_k -2.8944 H2S(g) H2S = +1.000HS- +1.000H+ log_k -8.0100 H2Se(g) H2Se = +1.000H2Se log_k -1.1000 END