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20e6e440 still produces different residuals 6ea9caf0 Tony H2S. Amm.dat, phreeqc.dat, pitzer.dat, utf8, updated test cases c1c97a85 before H2S a7be9fcf Updated Amm.dat, phreeqc.dat, pitzer.dat for H2S(g) b40b25fd Another SIT database fce334ff use cmake for valgrind tests 90f9cb53 checking in test cases using latest revisions. degree sign in pitzer.dat d45a37e0 database UTF-8 3aa7a146 Tony database update, kinetic_rates example f385cf57 Tony's updates March 10, 2021 88afb660 Tony's changes March 10, 2021. 4396def4 add databases e4e5449a [wphast] updated date 4c209593 [phreeqc3] updated image location beaab1d6 more characters 6b8138c2 fixed degree sign 759cac1f fixed some sit.dat characters 3f258562 updated databases 8be6ec5f update to charlton master 2560903d [phreeqci] Testing subtree merges 1d71804f Merge commit 'a400365a5e06a9cd2ac0aa6e2c51fa4797c631f8' a400365a [phreeqc3] Testing subtree merges 4296b155 Merge commit '0e8069e37275f23d47e04bd6b7873ec56dfdf088' 0e8069e3 Fixed bug with more porosities than cells in TRANSPORT. Added silica sorption to databases. Revised CalPortDiff fa7cbaf5 Added .gitlab-ci.yml 6a8d5088 Added .gitlab-ci.yml cfc208b0 updated installer 164b85d3 Fixed some bugs with iso.dat inverse modeling, added test case. Still does not generate [13C](4) and [13C](-4) from SOLUTION 06e25ec8 Correction to core10.dat from Neveu git-subtree-dir: database git-subtree-split: 20e6e440f056358f9887ada878a76d8e3d4ecc64
2755 lines
99 KiB
Plaintext
2755 lines
99 KiB
Plaintext
# PSI/Nagra Thermochemical Database Version 12/07 LAST MOD. 11-JUN-2015
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# PSINA_110615_DAV_s.dat
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#
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# The documentation for this database is available on http://www.psi.ch/les/database.
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#
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# Change history -----------------------------------------------------------------------------------
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# PSINA_120110_DAV_s.dat
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# 12-JAN-2010 : Added Becquerelite and Compreignacite to PSINA_060110_DAV_s.dat
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# PSINA_050710_DAV_s.dat
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# 05-JULY-2010: Added CmSCN+2 to PSINA_120110_DAV_s.dat
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# 05-JULY-2010: Added NpO2SCN to PSINA_120110_DAV_s.dat
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# PSINA_050710_rev_DAV_s.dat
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# 14-FEB-2011 : Sn: Changed incorrect formula (for conversion from mass to mole units) and
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# incorrect elemental gfw in PSINA_050710_DAV.dat and PSINA_050710_DAV_s.dat
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# 14-FEB-2011 : Added NpSiO(OH)3+2 to PSINA_050710_DAV_s.dat
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# 14-FEB-2011 : Added USiO4(s) to PSINA_050710_DAV_s.dat
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# 20-FEB-2011 : corrected log_k for UO2(am,hyd) (from -1.5 to 1.5) in PSINA_050710_DAV.dat
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# and PSINA_050710_DAV_s.dat
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# PSINA_290714_DAV_s.dat
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# 29-JUL-2014 : Added I(+5) to the SOLUTION_MASTER_SPECIES
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# corrected log_k for I2 (wrong sign)
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# corrected log_k for IO3- (from -122.0400 to -101.0900)
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# changed some comments
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# PSINA_110615_DAV_s.dat
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# 11-JUN-2015: Changed references to PSI reports and added comment concerning documentation,
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# deleted warning concerning use of database at temperatures other than 25°C
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#---------------------------------------------------------------------------------------------------
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#
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# ACTIVITY COEFFICIENTS:
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#
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# This version of the database uses the Davies equation for the calculation of activity coefficients.
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# -gamma 0.00 0.00 for neutral species ensures that the activity coefficients
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# are equal to one.
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#
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# TEMPERATURE:
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#
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# This version of the database only contains logK-data for 25°C
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#
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# DOCUMENTATION:
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#
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# NAGRA NTB 91-17: Pearson F.J., Berner U. (1992): Nagra Thermochemical Data Base I. Core Data,
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# Nagra NTB 91-17.
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# available for download at http://www.nagra.ch/de/downloadcenter.htm
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# NAGRA NTB 91-18: Pearson F.J., Berner U., Hummel W. (1992): Nagra Thermochemical Data Base
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# II. Supplemental Data, Nagra NTB 91-18.
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# available for download at http://www.nagra.ch/de/downloadcenter.htm
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# NAGRA NTB 02-16: Hummel W., Berner U., Curti E., Pearson F.J., Thoenen T. (2002): Nagra/PSI
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# Chemical Thermodynamic Database 01/01, Nagra NTB 02-16.
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# available for download at http://www.nagra.ch/de/downloadcenter.htm
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# PSI Report 14-04: Thoenen T., Hummel W., Berner U., Curti E. (2014): The PSI/Nagra Chemical
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# Thermodynamic Database 12/07, PSI Report 14-04.
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# available for download at http://www.psi.ch/les/database
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#
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#---------------------------------------------------------------------------------------------------
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#
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SOLUTION_MASTER_SPECIES
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#
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# ATOMIC WEIGHTS
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# Naturally occurring elements: IUPAC 1993 Table 1 rounded to 0.001
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# Radioelements: Mass number of longest-lived isotope
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#
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#
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#
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# elemen species alk gfw_formula element_gfw atomic Disposition Source of data
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# number PMATCHC
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#
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H H+ -1.0 H 1.008 # 1 Ele NAGRA NTB 91-17
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H(0) H2 0.0 H # Ma(S) NAGRA NTB 91-17
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H(1) H+ -1.0 H # Ma(P) NAGRA NTB 91-17
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E e- 0.0 0.0 0.0 # Ma(P) NAGRA NTB 91-17
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O H2O 0.0 O 15.999 # 8 Ele NAGRA NTB 91-17
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O(0) O2 0.0 O # Ma(S) NAGRA NTB 91-17
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O(-2) H2O 0.0 O # Ma(P) NAGRA NTB 91-17
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Al Al+3 0.0 Al 26.982 # 13 Ele, Ma(P) NAGRA NTB 02-16
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Am Am+3 0.0 Am 243 # 95 Ele, Ma(P) PSI Report 14-04
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Am(3) Am+3 0.0 Am # PSI Report 14-04
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Am(5) AmO2+ 0.0 Am # PSI Report 14-04
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As HAsO4-2 0.0 As 74.922 # 33 Ele NAGRA NTB 91-17
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As(3) As(OH)3 0.0 As # Ma(S) NAGRA NTB 91-17
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As(5) HAsO4-2 1.0 As # Ma(P) NAGRA NTB 91-17
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B B(OH)3 0.0 B 10.812 # 5 Ma(P) NAGRA NTB 91-18
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Ba Ba+2 0.0 Ba 137.328 # 56 Ma(P) NAGRA NTB 91-17
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Br Br- 0.0 Br 79.904 # 35 Ma(P) NAGRA NTB 91-17
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C HCO3- 1.0 C 12.011 # 6 Ele NAGRA NTB 91-17
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C(+4) HCO3- 1.0 HCO3- # Ma(P) NAGRA NTB 91-17
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C(-4) CH4 0.0 CH4 # Ma(S) NAGRA NTB 91-17
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Alkalinity HCO3- 1.0 HCO3- 61.016 # NAGRA NTB 91-17
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Ca Ca+2 0.0 Ca 40.078 # 20 Ma(P) NAGRA NTB 91-17
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Cl Cl- 0.0 Cl 35.453 # 17 Ma(P) NAGRA NTB 91-17
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Cm Cm+3 0.0 Cm 247 # PSI Report 14-04
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Cs Cs+ 0.0 Cs 132.905 # 55 Ma(P) Master Species only
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Eu Eu+3 0.0 Eu 151.966 # 63 Ele NAGRA NTB 02-16
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Eu(2) Eu+2 0.0 Eu # Ma(S) NAGRA NTB 02-16
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Eu(3) Eu+3 0.0 Eu # Ma(P) NAGRA NTB 02-16
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F F- 0.0 F 18.998 # 9 Ma(P) NAGRA NTB 91-17
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Fe Fe+2 0.0 Fe 55.845 # 26 Ele NAGRA NTB 91-18
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Fe(2) Fe+2 0.0 Fe # Ma(P) NAGRA NTB 91-18
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Fe(3) Fe+3 0.0 Fe # Ma(S) NAGRA NTB 91-18
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I I- 0.0 I 126.904 # 53 Ele NAGRA NTB 91-18
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I(-1) I- 0.0 I # Ma(P) NAGRA NTB 91-18
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I(0) I2 0.0 I # Ma(S) NAGRA NTB 91-18
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I(+5) IO3- 0.0 I # PSI Report 14-04
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K K+ 0.0 K 39.098 # 19 Ma(P) NAGRA NTB 91-17
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Li Li+ 0.0 Li 6.941 # 6 Ma(P) NAGRA NTB 91-17
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Mg Mg+2 0.0 Mg 24.305 # 12 Ma(P) NAGRA NTB 91-17
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Mn Mn+2 0.0 Mn 54.938 # 25 Ma(P) NAGRA NTB 91-18
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Mo MoO4-2 0.0 Mo 95.941 # 42 Ma(P) NAGRA NTB 91-18
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N NO3- 0.0 N 14.007 # 7 Ele NAGRA NTB 91-17
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N(-5) HCN 0.0 HCN # PSI Report 14-04
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N(-3) NH4+ 0.0 NH4 # Ma(S) NAGRA NTB 91-17
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N(-1) SCN- 0.0 SCN- # PSI Report 14-04
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N(0) N2 0.0 N2 # Ma(S) NAGRA NTB 91-17
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N(5) NO3- 0.0 NO3 # Ma(P) NAGRA NTB 91-17
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Na Na+ 0.0 Na 22.99 # 11 Ma(P) NAGRA NTB 91-17
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Nb NbO3- 0.0 Nb 92.906 # 41 Ma(P) NAGRA NTB 91-18
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Ni Ni+2 0.0 Ni 58.693 # 28 Ele, Ma(P) PSI Report 14-04
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Np NpO2+2 0.0 Np 237 # 93 Ele PSI Report 14-04
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Np(3) Np+3 0.0 Np # Ma(S) PSI Report 14-04
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Np(4) Np+4 0.0 Np # Ma(S) PSI Report 14-04
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Np(5) NpO2+ 0.0 Np # Ma(S) PSI Report 14-04
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Np(6) NpO2+2 0.0 Np # Ma(P) PSI Report 14-04
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P HPO4-2 1.0 P 30.974 # 15 Ma(P) NAGRA NTB 91-17
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Pd Pd+2 0.0 Pd 106.421 # 46 Ele, Ma(P) NAGRA NTB 02-16
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Pu PuO2+2 0.0 Pu 242 # 94 Ele PSI Report 14-04
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Pu(3) Pu+3 0.0 Pu # Ma(S) PSI Report 14-04
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Pu(4) Pu+4 0.0 Pu # Ma(S) PSI Report 14-04
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Pu(5) PuO2+ 0.0 Pu # Ma(S) PSI Report 14-04
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Pu(6) PuO2+2 0.0 Pu # Ma(P) PSI Report 14-04
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Ra Ra+2 0.0 Ra 226 # 88 Ele, Ma(P) NAGRA NTB 02-16
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S SO4-2 0.0 S 32.067 # 16 Ele NAGRA NTB 91-17
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S(-2) HS- 1.0 HS # Ma(S) NAGRA NTB 02-16
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S(2) S2O3-2 0.0 S2O3 # Ma(S) NAGRA NTB 91-18
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S(4) SO3-2 0.0 SO3 # Ma(S) NAGRA NTB 91-18
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S(6) SO4-2 0.0 SO4 # Ma(P) NAGRA NTB 91-18
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Se SeO3-2 0.0 Se 78.963 # 34 Ele PSI Report 14-04
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Se(4) SeO3-2 0.0 Se # Ma(P) PSI Report 14-04
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Se(-2) H2Se 0.0 Se # Ma(S) PSI Report 14-04
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Se(6) HSeO4- 0.0 Se # Ma(S) PSI Report 14-04
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Si Si(OH)4 0.0 Si 28.086 # 14 Ele, Ma(P) PSI Report 14-04
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Tn Tn+2 0.0 Tn 118.711 # 50 Ele, Ma(P) NAGRA NTB 02-16
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Sn Sn(OH)4 0.0 Sn 118.711 # Ma(P) NAGRA NTB 02-16
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Sr Sr+2 0.0 Sr 87.621 # 38 Ma(P) NAGRA NTB 91-17
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Tc TcO4- 0.0 Tc 98 # 43 Ele PSI Report 14-04
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Tc(7) TcO4- 0.0 TcO4 # Ma(P) PSI Report 14-04
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Tc(4) TcO(OH)2 -1.0 TcO(OH)2 # Ma(S) PSI Report 14-04
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Th Th+4 0.0 Th 232.038 # 90 Ele, Ma(P) PSI Report 14-04
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U UO2+2 0.0 U 238.029 # 92 Ele PSI Report 14-04
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U(4) U+4 0.0 U # Ma(S) PSI Report 14-04
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U(5) UO2+ 0.0 U # Ma(S) PSI Report 14-04
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U(6) UO2+2 0.0 UO2 # Ma(P) PSI Report 14-04
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Zr Zr+4 0.0 Zr 91.224 # 40 Ele, Ma(P) PSI Report 14-04
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SOLUTION_SPECIES
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# PMATCH MASTER SPECIES
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H+ = H+
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log_k 0.0
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e- = e-
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log_k 0.0
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-gamma 0.00 0.00
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H2O = H2O
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log_k 0.0
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-gamma 0.00 0.00
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Al+3 = Al+3
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log_k 0.0
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Am+3 = Am+3
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log_k 0.0
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HAsO4-2 = HAsO4-2
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log_k 0.0
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B(OH)3 = B(OH)3
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log_k 0.0
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-gamma 0.00 0.00
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Ba+2 = Ba+2
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log_k 0.0
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Br- = Br-
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log_k 0.0
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HCO3- = HCO3-
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log_k 0.0
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Ca+2 = Ca+2
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log_k 0.0
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Cl- = Cl-
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log_k 0.0
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Cm+3 = Cm+3
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log_k 0.0
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Cs+ = Cs+
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log_k 0.0
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Eu+3 = Eu+3
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log_k 0.0
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F- = F-
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log_k 0.0
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Fe+2 = Fe+2
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log_k 0.0
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I- = I-
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log_k 0.0
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K+ = K+
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log_k 0.0
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Li+ = Li+
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log_k 0.0
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Mg+2 = Mg+2
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log_k 0.0
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Mn+2 = Mn+2
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log_k 0.0
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MoO4-2 = MoO4-2
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log_k 0.0
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NO3- = NO3-
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log_k 0.0
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Na+ = Na+
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log_k 0.0
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NbO3- = NbO3-
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log_k 0.0
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Ni+2 = Ni+2
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log_k 0.0
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NpO2+2 = NpO2+2
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log_k 0.0
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HPO4-2 = HPO4-2
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log_k 0.0
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Pd+2 = Pd+2
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log_k 0.0
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PuO2+2 = PuO2+2
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log_k 0.0
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Ra+2 = Ra+2
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log_k 0.0
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SO4-2 = SO4-2
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log_k 0.0
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SeO3-2 = SeO3-2
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log_k 0.0
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Si(OH)4 = Si(OH)4
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log_k 0.0
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-gamma 0.00 0.00
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Tn+2 = Tn+2
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log_k 0.0
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Sn(OH)4 = Sn(OH)4
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log_k 0.0
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-gamma 0.00 0.00
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Sr+2 = Sr+2
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log_k 0.0
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TcO4- = TcO4-
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log_k 0.0
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Th+4 = Th+4
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log_k 0.0
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UO2+2 = UO2+2
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log_k 0.0
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Zr+4 = Zr+4
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log_k 0.0
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# PMATCH SECONDARY MASTER SPECIES
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# Se Redox
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##############
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+1.000SeO3-2 +1.000H2O -1.000H+ -2.000e- = HSeO4-
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log_k -26.3000
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+1.000SeO3-2 +8.000H+ +6.000e- -3.000H2O = H2Se
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log_k 57.4000
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-gamma 0.00 0.00
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+1.000HCN +1.000SeO3-2 +5.000H+ +4.000e- -3.000H2O = SeCN-
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log_k 57.3000
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# Tc Redox
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##############
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+1.000TcO4- +4.000H+ +3.000e- -1.000H2O = TcO(OH)2
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log_k 29.4000
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-gamma 0.00 0.00
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# Eu Redox
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##############
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+1.000Eu+3 +1.000e- = Eu+2
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log_k -5.9200
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# U Redox
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##############
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+1.000UO2+2 +4.000H+ +2.000e- -2.000H2O = U+4
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log_k 9.0380
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+1.000UO2+2 +1.000e- = UO2+
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log_k 1.4840
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# Np Redox
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##############
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+1.000NpO2+2 +4.000H+ +3.000e- -2.000H2O = Np+3
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log_k 33.5000
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+1.000NpO2+2 +4.000H+ +2.000e- -2.000H2O = Np+4
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log_k 29.8000
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+1.000NpO2+2 +1.000e- = NpO2+
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log_k 19.5900
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# Pu Redox
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##############
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+1.000PuO2+2 +4.000H+ +3.000e- -2.000H2O = Pu+3
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log_k 50.9700
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+1.000PuO2+2 +4.000H+ +2.000e- -2.000H2O = Pu+4
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log_k 33.2800
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+1.000PuO2+2 +1.000e- = PuO2+
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log_k 15.8200
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# Am Redox
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##############
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+1.000Am+3 +2.000H2O -4.000H+ -2.000e- = AmO2+
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log_k -59.7000
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# Rest Redox
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##############
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+2.000H+ +2.000e- = H2
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log_k -3.1054
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-gamma 0.00 0.00
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+2.000H2O -4.000H+ -4.000e- = O2
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log_k -85.9841
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-gamma 0.00 0.00
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+1.000HAsO4-2 +4.000H+ +2.000e- -1.000H2O = As(OH)3
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log_k 28.4412
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-gamma 0.00 0.00
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+1.000HCO3- +9.000H+ +8.000e- -3.000H2O = CH4
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log_k 27.8486
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-gamma 0.00 0.00
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+2.000NO3- +12.000H+ +10.000e- -6.000H2O = N2
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log_k 207.2627
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-gamma 0.00 0.00
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+1.000NO3- +10.000H+ +8.000e- -3.000H2O = NH4+
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log_k 119.1344
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+2.000SO4-2 +10.000H+ +8.000e- -5.000H2O = S2O3-2
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log_k 38.0140
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# bug: log_k entered manually
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+1.000SO4-2 +2.000H+ +2.000e- -1.000H2O = SO3-2
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log_k -3.3970
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# bug: log_k entered manually
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+1.000SO4-2 +9.000H+ +8.000e- -4.000H2O = HS-
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log_k 33.6900
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|
+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
|
|
|