# Kinec_v3.dat - last edited July 23, 2024 by MA and EHO.
#
# This database contains the parameters for calculating mineral dissolution rates for primary and secondary silicate minerals using the equations and parameters reported by Hermanska et al. (2022, 2023),
# and dissolution rates for other mineral systems using the equations and parameters reported by Oelkers and addassi (2024*).
#
# This database contains thermodynamic properties from the Carbfix.dat (Voigt et al., 2018) and the llnl.dat database. 
# The thermodynamic data for Gaspite, Variscite were taken from https://thermoddem.brgm.fr/ and Monazite-Ce was extracte from (A.P. Gysi et al. / Geochimica et Cosmochimica Acta 242 (2018))
#
# Several solid solutions have been added to the kinetics database to properly address the release of metals from solid solutions.  The solubilities of these solid solutions are based on the ideal mechanical mixing of the endmembers. These solid solutions are indicated by the suffix: _ss
#
#-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
# README for the RATES blocks in the Kinec.v2.dat file


# Reference literature for derived kinetic fits can be found in Hermanska et al. (2022, 2003) and Oelkers and addassi (2024*), along with pH and temperature conditions. Note the minerals glauconite and  Struvite are not present in the current database due to lack of thermodynamic data. 
# Also please note that extrapolation of the database to different conditions or mineral precipitation might lead to incorrect results.  


# When loading this database in PHREEQC, simulations can make use of them through using KINETICS blocks. These rates could also be imported to different thermodynamics databases if desired.

# Below is a minimal example for such a KINETICS block, explaining the different parameters specific to KINEC.v2.dat. Other parameters can be specified as explained in the PHREEQC documentation.

#------------------------------------------------
##Example data block for mineral end-members:

#KINETICS
#Albite                                 # Name of the mineral
#    -m0        1e-3                    # Initial moles of mineral
#    -parms     0 100 0 0               # Four parameters as explained below

##Example data block for selected mineral solid solutions (selected solid solutions listed in Appendix in Hermanska et al. (2022)):

#KINETICS
#Augite_ss                                  # Name of the mineral
#    -formula  Mg0.45Fe0.275Ca0.275SiO3  1  # Mineral formula ! must be added to run solid solutions.
#    -m0       100                          # Initial moles of mineral
#    -parms    0 0.0088183 0 2              # Four parameters as explained below

#------------------------------------------------
#Parameters:
#Four parameters are necessary when using rates from Kenec.dat:
# - The first parameter specifies if the specific surface area is entered as m2 per g of rock (0) or m2 per kg of water (1)
# - The second parameter specifies the specific surface area of the mineral (in m2/g or m2/kgw depending on the choice of the first parameter)
#  - The third parameters define how the surface area changes during dissolution and has three possible values. This option is only available when the first parameter is 0. If the first parameter is 1, the surface area is always constant.
#   0: The surface area changes linearly with the moles of the mineral present
#   1: The surface area changes according to the geometry of dissolving cubes or spheres
#- The fourth  parameter specifies the dissolution and precipitation option
#	0: allow dissolution and precipitation
#	1: allow precipitation only
#	2: allow dissolution only 
#-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
#
# References for KINEC_v3.dat database description: 
#Hermanska M., Voigt M. J., Marieni C., Declercq J., and Oelkers E. H. (2022) A comprehensive and internally consistent mineral dissolution rate database: Part I: Primary silicate minerals and glasses. Chemical Geology. 597, 120807. https://doi.org/10.1016/j.chemgeo.2022.120807
#
#Hermanska M., Voigt M. J., Marieni C., Declercq J., and Oelkers E. H. (2023) A comprehensive and internally consistent mineral dissolution rate database: Part II: Secondary silicate minerals. Chemical Geology. 636, 121632 https://doi.org/10.1016/j.chemgeo.2023.121632
#
# and 
#
# Oelkers, E.H., Addassi, M. 2024. A comprehensive and internally consistent mineral dissolution rate database: Part III: Non-silicate minerals including carbonate, sulfide, phosphate, halide, and oxy-hydroxide minerals. (in preparation)
# *********************************************************************
#
# Thermodynamics from carbfix.dat (Voigt et al., 2018).
# Reference for carbfix.dat database description: Voigt M., Marieni C., Clark D. E., Gislason S. R., and Oelkers E. H. (2018) Evaluation and refinement of thermodynamic databases for mineral carbonation. Energy Procedia 146, 81-91. http://dx.doi.org/10.1016/j.egypro.2018.07.012
# 
# Reference for core10.dat database description: Neveu M., Desch S. J., Castillo-Rogez J. C. (2017) Aqueous geochemistry in icy world interiors: Equilibrium fluid, rock, and gas compositions, and fate of antifreezes and radionuclides. Geochimica et Cosmochimica Acta 212, 324-371. http://dx.doi.org/10.1016/j.gca.2017.06.023
#
#***********************************************************************
#
# Extrapolation algorithms:
# 64cri/cob: ? (12 aq species, all also with supcrt92)
# Cp integration = Integration of heat capacity vs. temperature measurements (162 solids, 2 gases)
# Constant H approx = Constant enthalpy approximation (76 solids)
# 69hel: http://dx.doi.org/10.2475/ajs.267.7.729 (5 aq species)
# Marion+12 (NH4Cl, NH4HCO3)
# supcrt92 = SUPCRT92 (329 aq, solids, gases)
# N17 ([(6)(CB)(CB)S], NH4-feldspar, NH4-muscovite)
#
# References:
# APP14: http://dx.doi.org/10.1016/j.gca.2013.10.003 (25 molar volumes, see phreeqc.dat)
# AS01: http://dx.doi.org/10.1016/S0168-6445(00)00062-0 (NO(g))
# BH86: Barta and Hepler, 1986, Can. J.C. 64, 353. (Al+3, AlOH+2 molar volumes)
# Catalano13: http://dx.doi.org/10.1002/jgre.20161 (23 saponites + ripidolite)
# CWM89: http://www.worldcat.org/oclc/18559968 (20 solids, incl. 14 elemental)
# E68: Ellis, 1968, J. Chem. Soc. A, 1138. (Li+ molar volume)
# HDN+78: http://www.worldcatlibraries.org/oclc/13594862 (117 solids)
# Hel+98: http://dx.doi.org/10.1016/S0016-7037(97)00219-6 (Pyridine)
# Hel+09: http://dx.doi.org/10.1016/j.gca.2008.03.004 (Kerogen C128, C292, C515)
# HOK+98: http://dx.doi.org/10.1016/S0016-7037(97)00219-6 (C2H6(g), C3H8(g))
# Hovis04: http://dx.doi.org/10.2138/am-2004-0111 (NH4-muscovite molar volume)
# HSS95: http://dx.doi.org/10.1016/0016-7037(95)00314-P (55 solutes)
# Joh90: Johnson, J.W., 1990, Personal calculation, Parameters given provide smooth metastable extrapolation of one-bar steam properties predicted by the Haar et al. (1984) equation of state to temperatures < the saturation temperature (99.632 C):  Earth Sci. Dept, LLNL, Livermore, CA. (H2O(g))
# Kel60: http://www.worldcat.org/oclc/693388901 (8 gases)
# M13: McColm I. J. (2013) Dictionary of Ceramic Science and Engineering, p.72. (CaUO4 molar volume)
# Marion+03: http://dx.doi.org/10.1016/S0016-7037(03)00372-7 (FeOH+)
# Marion+05: http://dx.doi.org/10.1016/j.gca.2004.06.024 (Arcanite, Gypsum, Niter, Thenardite molar volumes)
# Marion+08: http://dx.doi.org/10.1016/j.gca.2007.10.012 (FeOH+, FeOH+2, Melanterite molar volume)
# Marion+09: http://dx.doi.org/10.1016/j.gca.2009.03.013 (Alum-K molar volume)
# Marion+12: http://dx.doi.org/10.1016/j.icarus.2012.06.016 (NH4Cl, NH4HCO3)
# MLS+03: http://dx.doi.org/10.2138/am-2003-5-613 (Goethite)
# MS97: http://dx.doi.org/10.1016/S0016-7037(97)00241-X (HCl, MgSO4)
# N17: http://dx.doi.org/10.1016/j.gca.2017.06.023 ([(6)(CB)(CB)S], NH4-feldspar, NH4-muscovite)
# R01: http://dx.doi.org/10.1016/S0016-7037(01)00761-X ([(6)(CB)(CB)S])
# RHF79: http://pubs.er.usgs.gov/publication/b1452 (40 solids)
# RH98: http://dx.doi.org/10.1016/S0016-7037(97)00345-1 ([(aro)-O-(aro)], Kerogen C128, C292, C515)
# SH88: http://dx.doi.org/10.1016/0016-7037(88)90181-0 (42 solutes, 1 solid)
# SH90: http://dx.doi.org/10.1016/0016-7037(90)90429-O (6 organic solutes)
# Sho93: http://dx.doi.org/10.1016/0016-7037(93)90542-5 (C2H4(g), CO(g))
# Sho95: http://dx.doi.org/10.2475/ajs.295.5.496 (4 organic solutes)
# Sho09: http://dx.doi.org/10.2113/gsecongeo.104.8.1235 (Goethite)
# SHS89: http://dx.doi.org/10.1016/0016-7037(89)90341-4 (11 solutes)
# SK93: http://dx.doi.org/10.1016/0016-7037(93)90128-J (44 acetic acid/acetate complexes)
# SS93: http://dx.doi.org/10.1016/0016-7037(93)90337-V (CH2O)
# SM93: http://dx.doi.org/10.1006/icar.1993.1185 (CO, CO(NH2)2, HCN solutes)
# SSB97: http://dx.doi.org/10.1016/S0016-7037(97)00240-8 (UO2OH+, Uraninite)
# SSH97: http://dx.doi.org/10.1016/S0016-7037(97)00009-4 (30 solutes)
# SSW+97: https://doi.org/10.1016/S0016-7037(96)00339-0
# SSW01: http://dx.doi.org/10.1016/S0016-7037(01)00717-7 (CO2, H2S)
# Ste01: http://dx.doi.org/10.1016/S0009-2541(00)00263-1 (Ti(OH)4)
# Wat81: ‚ÄúAmmonium Aluminosilicates: The Examination of a Mechanism for the High Temperature Condensation of Ammonia in Circumplanetary Subnebulae‚Äù MS Thesis, MIT, 1981. (NH4-feldspar, NH4-muscovite)
# WEP+82: http://dx.doi.org/10.1063/1.555845 (87 solutes, solids, and gases)
# WebElements: http://www.webelements.com/periodicity/molar_volume (K, U molar volumes)
# WebMineral: http://www.webmineral.com (38 solid molar volumes)
# Wilson+06: http://dx.doi.org/10.1016/j.gca.2005.10.003 (Chamosite, Lizardite)
#
# 73bar/kna: Barin, I., and Knacke, O., 1973, Thermochemical properties of inorganic substances:  Springer-Verlag, New York. (Alum-K, MgOHCl, Na2SiO3, Nahcolite)
# 77bar/kna: Barin, I., Knacke, O., and Kubaschewski, O., 1977, Thermochemical properties of inorganic substances. Supplement:  Springer-Verlag, New York. (Natrosilite, Pseudowollastonite, Rankinite)
# 87bou/bar: http://dx.doi.org/10.2113/gsecongeo.82.7.1839 (ZnOH+)
# 88db 3: Database development group iii/3, 1988, Errors in computation of estimated delH298 for montmor-x endmembers of smectite-di solid solution:  LLNL Internal Memo. (Montmor-Ca, K, Mg, Na)
# 89db 7=89db 6, Database development group, 1989, Zeolite thermodynamic data:  LLNL Internal memo. (Clinoptilolite-K)
# 76del/hal: http://dx.doi.org/10.1021/cr60301a001 (2 Cr solutes, 9 Cr solids)
# 92gre/fug: Grenthe, I., Fuger, J., Konings, R.J.M., Lemire, R.J., Muller, A.B., Nguyen-Trung, C., and Wanner, H., 1992, Chemical Thermodynamics, Volume 1: Chemical Thermodynamics of Uranium:  North-Holland, Amsterdam, 1, 714p. (4 U solutes, 21 U solids)
# 90how/joh: http://dx.doi.org/10.1016/S0144-2449(05)80307-0 (Stilbite)
# 75kas/bor: Kashkay, C.H.M., Borovskaya,Y.U.B., and Babazade, M.A., 1975, Determination of delG0f298K of synthetic jarosite and its sulfate analogues:  Geochem. Intl., 12, 115-121. (Jarosite)
# 87kee/rup: Kee, R.J., Rupley, F.M., and Miller, J.A., 1987, The Chemkin thermodynamic database:  SNL Rep. SAND-87-8215, 92p. (Ice)
# 78lan: http://dx.doi.org/10.1016/0016-7037(78)90001-7 (Bassetite, Ningyoite, Saleeite)
# 80lan/her: http://dx.doi.org/10.1016/0016-7037(80)90226-4 (ThCl4)
# 82mar/smi: Martell, A.E., and Smith, R.M., 1982, Critical Stability Constants, Vol. 5: First Supplement:  Plenum, New York, 5, 604p. (MgSO4(aq))
# 74nau/ryz: Naumov, G.B., Ryzhenko, B.N., and Khodakovsky, I.L., 1974, Handbook of Thermodynamic Data:  U.S.G.S. WRD-74-001, 328p. (CoCl+, CoFe2O4, CoS, CoSO4:H2O, Delafossite, Ni2SiO4)
# 76mac: http://dx.doi.org/10.1016/0010-938X(76)90066-4 (Mn+3)
# 95pok/hel: http://dx.doi.org/10.2475/ajs.295.10.1255 (4 solutes, 4 solids)
# 85rar 2: http://dx.doi.org/10.1021/cr00070a003 (9 europium solids)
# 87rar 2: Rard, J.A., 1987, Update of the europium data base, October, 1987:  LLNL Internal Memo. (3 europium solids)
# 87rua/sew: http://dx.doi.org/10.1016/0016-7037(87)90013-5 (HCl)
# 82sar/bar: Sarkar, A.K., Barnes, M.W., and Roy, D.M., 1982, Longevity of borehole and shaft sealing materials: thermodynamic properties of cements and related phases applied to repository sealing:  ONWI Tech. Rep. ONWI-201, 52p. (16 solids)
# 84sve: http://dx.doi.org/10.1016/0016-7037(84)90203-5 (Sphaerocobaltite)
# 78vau/cra: Vaughan, D.J., and Craig, J.R., 1978, Mineral chemistry of metal sulfides: Cambridge Univ. Press, Cambridge, MA. (5 solids)
# 78wol: Wolery, T.J., 1978, Some chemical aspects of hydrothermal processes at mid-oceanic ridges -- A theoretical study. I. Basalt-sea water reaction and chemical cycling between the oceanic crust and the oceans. II. Calculation of chemical equilibrium between aqueous solutions and minerals:  Unpub. Ph.D. Diss., Northwestern Univ., Evaston, IL, 263p. (23 clays)
# 87woo/gar: Woods, T.L., and Garrels, R.M., 1987, Thermodynamic values at low temperature for natural inorganic materials: An uncritical summary:  Oxford Univ. Press, Oxford. (Atacamite, Brochantite, Dioptase)
#
# Additional carbfix.dat references
# D08: http://dx.doi.org/10.1186/1467-4866-9-10
# DEW17: Deep Earth Water (DEW) spreadsheet http://www.dewcommunity.org
# HP98: https://doi.org/10.1111/j.1525-1314.1998.00140.x
# HP11: http://dx.doi.org/10.1111/j.1525-1314.2010.00923.x
# Neu00: Neuhoff P.S., 2000, Thermodynamic Properties and Parageneses of Rock-Forming Zeolites. PhD Thesis. Stanford University.
# SBS13: http://dx.doi.org/10.1016/j.gca.2013.04.023
# SBS14: http://dx.doi.org/10.1016/j.gca.2014.04.008
# MS97: http://dx.doi.org/10.1016/S0016-7037(97)00241-X
# PB82: http://doi.org/10.1016/0016-7037(82)90056-4
# P+96: http://dx.doi.org/10.1016/0016-7037(96)00123-8
# SK95: http://doi.org/10.1016/0016-7037(95)00058-8
# SS97: http://doi.org/10.1016/S0016-7037(97)00291-3
# TS01: http://dx.doi.org/10.1016/S0016-7037(01)00705-0
# Z+16: http://dx.doi.org/10.1016/j.cageo.2016.02.013
#
# Species have various valid temperature ranges, noted in the Range parameter. Currently, Phreeqc does not use this parameter, so it is up to the user to remain in the valid temperature range for all data used.

# Example entry block:

# Formation reaction from basis species 
# 	-llnl_gamma	# ion size parameter in B-dot Debye-Huckel equation
# 	log_k		# at 25C, 1 bar, used if no -delta_H or -analytic
# 	-delta_H	# molar enthalpy of reaction, used if no -analytic
# #	deltafH		# molar enthalpy of formation from reference compounds
#	-analytic	b1 b2 b3 b4 b5 b6 # logK = b1 + b2*T + b3/T + b4*log(T) + b5/T2 + b6*T2
# #	Range		Tmin-Tmax # of validity of -analytic
#	-Vm		a1 a2 a3 a4 omega # See APP14, SH88 for equations
# #	Extrapol	# extrapolation algorithm
# #	Ref		# references
#-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

# DATABASE STARTS BELOW
#
LLNL_AQUEOUS_MODEL_PARAMETERS
-temperatures
	 0.01	25   60  100
	  150  200  250  300
#debye huckel a (adh)
-dh_a
         0.4939    0.5114    0.5465    0.5995
         0.6855    0.7994    0.9593    1.2180
#debye huckel b (bdh)
-dh_b
         0.3253    0.3288    0.3346    0.3421
         0.3525    0.3639    0.3766    0.3925
-bdot
         0.0374    0.0410    0.0438    0.0460
         0.0470    0.0470    0.0340    0
#cco2   (coefficients for the Drummond (1981) polynomial)
-co2_coefs
        -1.0312              0.0012806
          255.9                 0.4445
      -0.001606

SOLUTION_MASTER_SPECIES

#element	species        alk     gfw_formula	element_gfw

Al	Al+3	0	Al	26.9815
Alkalinity	HCO3-	1	Ca0.5(CO3)0.5	50.05
B	B(OH)3	0	B	10.811
B(3)	B(OH)3	0	B	-36.44179
Ba	Ba+2	0	Ba	137.3270 
C(-4)	CH4	0	CH4	-33.31051
C(-3)	C2H6	0	C2H6	-30.54674
C(-2)	C2H4	0	C2H4	-28.08539
C	HCO3-	1	HCO3	12.011
C(+2)	CO	0	C	-23.87691
C(+4)	HCO3-	1	HCO3	-22.05727
Ca	Ca+2	0	Ca	40.078
Ce	Ce+3	0	Ce	140.115
Ce(+2)	Ce+2	0	Ce
Ce(+3)	Ce+3	0	Ce
Ce(+4)	Ce+4	0	Ce
Cl	Cl-	0	Cl	35.4527
Cl(-1)	Cl-	0	Cl	-17.43358
Cl(1)	ClO-	0	Cl	-16.11094
Cl(3)	ClO2-	0	Cl	-14.87484
Cl(5)	ClO3-	0	Cl	-13.71476
Cl(7)	ClO4-	0	Cl	
Co	Co+2	0	Co	58.9332
Co(+2)	Co+2	0	Co	
Co(+3)	Co+3	0	Co	
Cr	CrO4-2	0	CrO4-2	51.9961
Cr(+2)	Cr+2	0	Cr	
Cr(+3)	Cr+3	0	Cr	
Cr(+6)	CrO4-2	0	Cr	
Cd		Cd+2	0	Cd	112.411
Cu	Cu+2	0	Cu	63.546
Cu(+1)	Cu+1	0	Cu	
Cu(+2)	Cu+2	0	Cu	
E	e-	0	0	0
Eu	Eu+3	0	Eu	151.965
Eu(+2)	Eu+2	0	Eu	
Eu(+3)	Eu+3	0	Eu	
F	F-	0	F	18.9984
Fe	Fe+2	0	Fe	55.847
Fe(+2)	Fe+2	0	Fe	
Fe(+3)	Fe+3	-2	Fe	
Gd	Gd+3	0	Gd	157.25
Gd(+3)	Gd+3	0	Gd	
H	H+	-1	H	1.0079
H(0)	H2	0	H	
H(+1)	H+	-1	0	
K	K+	0	K	39.0983
Li	Li+	0	Li	6.941
Mg	Mg+2	0	Mg	24.305
Mn	Mn+2	0	Mn	54.938
Mn(+2)	Mn+2	0	Mn	
Mn(+3)	Mn+3	0	Mn	
Mn(+6)	MnO4-2	0	Mn	
Mn(+7)	MnO4-	0	Mn	
Mo	MoO4-2	0	Mo	95.94
N	NH3	1	N	14.0067
N(-3)	NH3	1	N	
N(0)	N2	0	N	
N(+3)	NO2-	0	N	
N(+5)	NO3-	0	N	
Na	Na+	0	Na	22.9898
Ni	Ni+2	0	Ni	58.69
O	H2O	0	O	15.994
O(-2)	H2O	0	0	
O(0)	O2	0	O	
P	HPO4-2	2	P	30.9738
P(5)	HPO4-2	2	P	
Pb      Pb+2    0	Pb	207.20 
Pb(+2)	Pb+2	0	Pb
Pb(+4)	Pb+4	0	Pb
S	SO4-2	0	SO4	32.066
S(-2)	HS-	1	S	
S(+2)	S2O3-2	0	S	
S(+3)	S2O4-2	0	S	
S(+4)	SO3-2	0	S	
S(+5)	S2O5-2	0	S	
S(+6)	SO4-2	0	SO4	
S(+7)	S2O8-2	0	S	
S(+8)	HSO5-	0	S	
Sc	Sc+3	0	Sc	44.9559
Si	SiO2	0	SiO2	28.0855
Sm	Sm+3	0	Sm	150.36
Sm(+2)	Sm+2	0	Sm	
Sm(+3)	Sm+3	0	Sm	
Sr      Sr+2    0.0     Sr      87.62
Th	Th+4	0	Th	232.0381
Ti	Ti(OH)4	0	Ti	47.88
U	UO2+2	0	U	238.0289
U(+3)	U+3	0	U	
U(+4)	U+4	0	U	
U(+5)	UO2+	0	U	
U(+6)	UO2+2	0	U	
Zn	Zn+2	0	Zn	65.39



SOLUTION_SPECIES

#------------------
# 31 basis species
#------------------

Al+3 = Al+3 
	-llnl_gamma	9	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-128.681	kcal/mol
	-Vm   		-2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # APP14, BH86

B(OH)3 = B(OH)3 
	-llnl_gamma	3	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-256.82 	kcal/mol
	-Vm 		7.0643 8.847 3.5844 -3.1451 -0.2 0 0 0 0 0 # SHS89

Ca+2 = Ca+2 
	-llnl_gamma	6	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-129.8		kcal/mol
	-Vm  		-0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 # APP14

Cd+2 =  Cd+2 
	-llnl_gamma	5.0000	
	log_k 0
	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Cd+2
#	Enthalpy of formation:	-18.14 kcal/mol

Cl- = Cl- 
	-llnl_gamma	3	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-39.933		kcal/mol
	-Vm		4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 # APP14

Co+2 = Co+2 
	-llnl_gamma	6	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-13.9		kcal/mol
	-Vm -1.2252 -8.9356 5.3191 -2.4095 1.47690 0 0 0 0 0 # SSW+97

CrO4-2 = CrO4-2 
	-llnl_gamma	4	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-210.6		kcal/mol
	-Vm		5.4891 5.6223 3.5382 -3.0113 3.00240 0 0 0 0 0 # SSW+97

Cu+2 = Cu+2 
	-llnl_gamma	6	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		15.7		kcal/mol
	-Vm		-1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 # APP14

e- = e-

Eu+3 = Eu+3 
	-llnl_gamma	5	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-144.7		kcal/mol
	-Vm		-3.1037 -15.3599 11.7871 -2.144 2.3161 0 0 0 0 0 # SH88

F- =  F- 
	-llnl_gamma	3.5000
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-80.15 kcal/mol
	-Vm		0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1 # APP14

Fe+2 = Fe+2 
	-llnl_gamma	6	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-22.05		kcal/mol
	-Vm		-0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 # APP14

Gd+3 = Gd+3 
	-llnl_gamma	5	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-164.2		kcal/mol
	-Vm		-2.9771 -15.0506 11.6656 -2.1568 2.3265 0 0 0 0 0 # SH88

H+ = H+ 
	-llnl_gamma	9	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-0		kJ/mol

HCO3- = HCO3- 
	-llnl_gamma	4	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-164.898	kcal/mol
	-Vm		7.5621 1.1505 1.2346 -2.8266 1.27330 0 0 0 0 0 # SH88

HPO4-2 = HPO4-2 
	-llnl_gamma	4	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-308.815	kcal/mol
	-Vm		3.6315 1.0857 5.3233 -2.8239 3.33630 0 0 0 0 0 # SH88

K+ = K+ 
	-llnl_gamma	3	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-60.27		kcal/mol
	-Vm		3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 # APP14

Li+ = Li+ 
	-llnl_gamma	6	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-66.552		kcal/mol
	-Vm		-0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # APP14, E68 

Mg+2 = Mg+2 
	-llnl_gamma	8	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-111.367	kcal/mol
	-Vm		-1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 # APP14

Mn+2 = Mn+2 
	-llnl_gamma	6	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-52.724		kcal/mol
	-Vm		-1.10 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 # APP14

MoO4-2 = MoO4-2 
	-llnl_gamma	4.5	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-238.5		kcal/mol
	-Vm		6.9651 2.7095 18.6617 -2.8909 3.07770 0 0 0 0 0 # SSW+97

NH3 = NH3 
	-llnl_gamma	3	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-19.44		kcal/mol
	-Vm		5.0911 2.797 8.6248 -2.8946 -7.690e-2 0 0 0 0 0 # SHS89

Na+ = Na+ 
	-llnl_gamma	4	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-57.433		kcal/mol
	-Vm		2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # APP14

Ni+2 = Ni+2 
	-llnl_gamma	6	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-12.9		kcal/mol
	-Vm		-1.6942 -11.9181 10.4344 -2.2863 1.50670 0 0 0 0 0 # SH88

H2O = H2O 
	-llnl_gamma	3	
        log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-68.317		kcal/mol

SO4-2 = SO4-2 
	-llnl_gamma	4	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-217.4		kcal/mol
	-Vm		8.0 2.3 -46.04 6.245 3.82 0 0 0 0 1 # APP14

Sc+3 = Sc+3 
	-llnl_gamma	9	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-146.8		kcal/mol
	-Vm		-2.1109 -12.9294 10.817 -2.2444 2.5003 0 0 0 0 0 # SSW+97

SiO2 = SiO2 
	-llnl_gamma	3	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-209.775	kcal/mol
	-Vm		1.9 1.7 20 -2.7 0.12910 0 0 0 0 0 # SHS89

Sm+3 = Sm+3 
	-llnl_gamma	9	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-165.2		kcal/mol
	-Vm		-3.2065 -15.6108 11.8857 -2.1337 2.2955 0 0 0 0 0 # SH88

Th+4 = Th+4 
	-llnl_gamma	11	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-183.8		kcal/mol
	-Vm		-4.2886 -18.25 12.9154 -2.0244 3.70930 0 0 0 0 0 # SSW+97

Ti(OH)4 = Ti(OH)4 
	-llnl_gamma	3	
	log_k		0
#	deltafH		-0		kcal/mol
	-Vm		7.366874 10.21009 1.152964 -3.201004 0.01498566 0 0 0 0 0 # Ste01

UO2+2 = UO2+2 
	-llnl_gamma	4.5	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-1019		kJ/mol
	-Vm 3.0256 -4.1084 15.3326 -2.6091 1.40990 0 0 0 0 0 # SSW+97

Zn+2 = Zn+2 
	-llnl_gamma	6	
	log_k		0
	-delta_H	0		kJ/mol
#	deltafH		-36.66		kcal/mol
	-Vm		-1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 # APP14

Ba+2 =  Ba+2 
	-llnl_gamma	5.0	
	log_k 0
	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ba+2
#	Enthalpy of formation:	-128.5 kcal/mol

Ce+3 =  Ce+3 
	-llnl_gamma	9	
	log_k 0
	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Ce+3
#	Enthalpy of formation:	-167.4 kcal/mol

Pb+2 =  Pb+2 
	-llnl_gamma	4.5	
	log_k 0
	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Pb+2
#	Enthalpy of formation:	0.22 kcal/mol

Sr+2 =  Sr+2 
	-llnl_gamma	5.0	
	log_k 0
	-delta_H	0	kJ/mol	# Calculated enthalpy of reaction	Sr+2
#	Enthalpy of formation:	-131.67 kcal/mol
#-------------------
# 40 Redox couples
#-------------------

2H2O = O2 + 4H+ + 4e-  
	-CO2_llnl_gamma
	log_k		-85.9951
	-delta_H	559.543		kJ/mol
#	deltafH		-2.9		kcal/mol
	-analytic	38.0229 7.99407e-3 -2.7655e4 -1.4506e1 199838.45
#	Range		0-350
	-Vm		5.7889 6.3536 3.2528 -3.0417 -0.3943
#	Extrapol	supcrt92
#	Ref		SHS89

SO4-2 + H+ = HS- + 2 O2  
	-llnl_gamma	3.5    
	log_k		-138.3169
	-delta_H	869.226		kJ/mol
#	deltafH		-3.85		kcal/mol
	-analytic 2.6251e1 3.9525e-2 -4.5443e4 -1.1107e1 3.1843e5
#	Range		0-350
	-Vm		5.0119 4.9799 3.4765 -2.9849 1.44100
#	Extrapol	supcrt92
#	Ref		SH88

.5 O2 + 2 HS- = S2-2 + H2O
	-llnl_gamma	4.0    
	log_k		33.2673
#	deltafH		-0		kcal/mol
	-analytic	0.21730e2 -0.12307e-2 0.10098e5 -0.88813e1 0.15757e3
	-mass_balance	S(-2)2
#	Range		0-350
	-Vm 5.5797 5.8426 3.4536 -3.0205 3.10830
#	Extrapol	supcrt92
#	Ref		SH88

2 H+ + 2 SO3-2  = S2O3-2 + O2 + H2O
	-llnl_gamma	4.0    
	log_k		-40.2906
#	deltafH		-0		kcal/mol
	-analytic	0.77679e2 0.65761e-1 -0.15438e5 -0.34651e2 -0.24092e3
#	Range		0-350
	-Vm		6.6685 12.4951 -7.7281 -3.2955 2.96940
#	Extrapol	supcrt92
#	Ref		SH88

H+ + HCO3- + H2O = CH4 + 2 O2
	-llnl_gamma	3.0    
	log_k		-144.1412
	-delta_H	863.599		kJ/mol
#	deltafH		-21.01		kcal/mol
	-analytic	-0.41698e2 0.36584e-1 -0.40675e5 0.93479e1 -0.63468e3
#	Range		0-350
	-Vm		6.7617 8.7279 2.3212 -3.1397 -0.31790
#	Extrapol	supcrt92
#	Ref		SH90

2 H+ + 2 HCO3- + H2O = C2H6 + 3.5 O2
	-llnl_gamma	3.0    
	log_k		-228.6072
#	deltafH		-0		kcal/mol
	#analytic	-0.10777e2 0.72105e-1 -0.67489e5 -0.13915e2 -0.10531e4
	-analytic	-491.3 1.148 -10004 0 0 -8.06e-4 # !!! Using CHNOSZ, discrepant with above expression unless the first term is -0.10777e2 instead of 0.10777e2
#	Range		0-350
	-Vm		8.75 13.1051 1.6258 -3.3207 -0.06270
#	Extrapol	supcrt92
#	Ref		SH90

2 H+ + 2 HCO3- = C2H4 + 3 O2
	-llnl_gamma	3.0
	log_k		-254.5034
	-delta_H	1446.6		kJ/mol
#	deltafH		24.65		kcal/mol
	#analytic	-0.30329e2 0.71187e-1 -0.73140e5
	-analytic	6e-2 3.60e-2 -7.17e4
#	Range		0-350
	-Vm		7.856 12.6391 -1.8737 -3.3014 -0.4
#	Extrapol	supcrt92
#	Ref		SH90

HCO3- + H+ = CO + H2O + 0.5 O2 
	-llnl_gamma	3.0    
	log_k		-41.7002
	-delta_H	277.069		kJ/mol
#	deltafH		-28.91		kcal/mol
	-analytic	1.0028e2 4.6877e-2 -1.8062e4 -4.0263e1 3.8031e5
#	Range		0-350
	-Vm		6.2373 7.4498 2.8184 -3.0869 -0.37150
#	Extrapol	supcrt92
#	Ref		SM93
 
Cl- + 0.5 O2 = ClO-   
	-llnl_gamma	4.0    
	log_k		-15.1014
	-delta_H	66.0361		kJ/mol
#	deltafH		-25.6		kcal/mol
	-analytic	6.1314e1 3.4812e-3 -6.0952e3 -2.3043e1 -9.5128e1
#	Range		0-350
	-Vm		2.3599 -2.0164 6.5356 -2.6955 1.47670
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88

O2 + Cl- = ClO2-   
	-llnl_gamma	4.0    
	log_k		-23.108
	-delta_H	112.688		kJ/mol
#	deltafH		-15.9		kcal/mol
	-analytic	3.3638e0 -6.1675e-3 -4.9726e3 -2.0467e0 -2.5769e5
#	Range		0-350
	-Vm		5.2163 4.958 3.7949 -2.9839 1.2637
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88

1.5 O2 + Cl- = ClO3-   
	-llnl_gamma	3.5    
	log_k		-17.2608
	-delta_H	81.3077		kJ/mol
#	deltafH		-24.85		kcal/mol
	-analytic	2.8852e1 -4.8281e-3 -4.6779e3 -1.0772e1 -2.0783e5
#	Range		0-350
	-Vm		7.1665 9.7172 1.9307 -3.1807 1.0418
#	Extrapol	supcrt92
#	Ref		SH88

2 O2 + Cl- = ClO4-   
	-llnl_gamma	3.5    
	log_k		-15.7091
	-delta_H	62.0194		kJ/mol
#	deltafH		-30.91		kcal/mol
	-analytic	7.0280e1 -6.8927e-5 -5.5690e3 -2.6446e1 -1.6596e5
#	Range		0-350
	-Vm 8.1411 15.5654 -7.8077 -3.4224 0.9699
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88

H+ + Co+2 + 0.25 O2 = Co+3 + 0.5 H2O 
	-llnl_gamma	5.0    
	log_k		-11.4845
	-delta_H	10.3198		kJ/mol
#	deltafH		22		kcal/mol
	-analytic	-2.2827e1 -1.2222e-2 -7.2117e2 7.0306 -1.1247e1
#	Range		0-350
	-Vm		-2.8678 -14.7777 11.5439 -2.1680 2.6901
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88

4 H+ + CrO4-2 = Cr+2 + 2 H2O + O2 
	-llnl_gamma	4.5    
	log_k		-21.6373
	-delta_H	153.829		kJ/mol
#	deltafH		-34.3		kcal/mol
	-analytic	6.9003e1 6.2884e-2 -6.9847e3 -3.4720e1 -1.0901e2
#	Range		0-350
	-Vm		-0.8036 -9.74 9.5688 -2.3762 1.4287 # SSW+97
#	Extrapol	supcrt92, 64cri/cob
#	Ref		SSW+97, 76del/hal differ by 2 log K at 0C, 0.7 log K at 300C 

5 H+ + CrO4-2 = Cr+3 + 2.5 H2O + 0.75 O2 
	-llnl_gamma	9.0    
	log_k		8.3842
	-delta_H	-81.0336	kJ/mol
#	deltafH		-57		kcal/mol
	-analytic	5.1963e1 6.0932e-2 5.4256e3 -3.2290e1 8.4645e1
#	Range		0-350
	-Vm		-2.7824 -14.5709 11.4661 -2.1765 2.7403
#	Extrapol	supcrt92, 64cri/cob
#	Ref		SSW+97, 76del/hal differ by 1.5 log K at 0C, 0.8 log K at 300C
 
Cu+2 + 0.5 H2O = Cu+ + H+ + 0.25 O2 
	-llnl_gamma	4.0    
	log_k		-18.7704
	-delta_H	145.877		kJ/mol
#	deltafH		17.132		kcal/mol
	-analytic	3.7909e1 1.3731e-2 -8.1506e3 -1.3508e1 -1.2719e2
#	Range		0-350
	-Vm		0.807 -5.804 8.0165 -2.5390 0.40460
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88
 
Eu+3 + 0.5 H2O = Eu+2 + H+ + 0.25 O2 
	-llnl_gamma	4.5    
	log_k		-27.5115
	-delta_H	217.708		kJ/mol
#	deltafH		-126.1		kcal/mol
	-analytic	3.0300e1 1.4126e-2 -1.2319e4 -9.0585e0 1.5289e5
#	Range		0-350
	-Vm		0.0407 -7.6776 8.7578 -2.4615 1.0929
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88

H+ + Fe+2 + 0.25 O2 = Fe+3 + 0.5 H2O 
	-llnl_gamma	9.0    
	log_k		8.4899
	-delta_H	-97.209		kJ/mol
#	deltafH		-11.85		kcal/mol
	-analytic	-1.7808e1 -1.1753e-2 4.7609e3 5.5866 7.4295e1
#	Range		0-350
	-Vm		-2.4256 -13.6961 11.1141 -2.2127 2.58120
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88
 
H2O = H2 + 0.5 O2   
	-CO2_llnl_gamma
	log_k		-46.1066
	-delta_H	275.588		kJ/mol
#	deltafH		-1		kcal/mol
	-analytic	6.6835e1 1.7172e-2 -1.8849e4 -2.4092e1 4.2501e5
#	Range		0-350
	-Vm		5.1427 4.7758 3.8729 -2.9764 -0.209
#	Extrapol	supcrt92
#	Ref		SHS89

SO4-2 + H+ + 0.5 O2 = HSO5-  
	-llnl_gamma	4.0    
	log_k		-17.2865
	-delta_H	140.038		kJ/mol
#	deltafH		-185.38		kcal/mol
	-analytic	5.9944e1 3.0904e-2 -7.7494e3 -2.4420e1 -1.2094e2
#	Range		0-350
	-Vm		8.9391 14.043 0.2349 -3.3594 0.86110
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88
 
Mn+2 + H+ + 0.25 O2 = Mn+3 + 0.5 H2O 
	-llnl_gamma	5.0    
	log_k		-4.0811
	-delta_H	-65.2892	kJ/mol
#	deltafH		-34.895		kcal/mol
	-analytic	3.8873e1 1.7458e-2 2.0757e3 -2.2274e1 3.2378e1
#	Range		0-350
	-Vm		-2.932 -14.934 11.6041 -2.1615 2.70250
#	Extrapol	supcrt92, 64cri/cob
#	Ref		SSW+97, 76mac match

2 H2O + O2 + Mn+2 = MnO4-2 + 4 H+ 
	-llnl_gamma	4.0    
	log_k		-32.4146
	-delta_H	151.703		kJ/mol
#	deltafH		-156		kcal/mol
	-analytic	-1.0407e1 -4.6464e-2 -1.0515e4 1.0943e1 -1.6408e2
#	Range		0-350
	-Vm		5.6596 6.0368 3.3786 -3.0285 2.98030
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88

2 NH3 + 1.5 O2 = N2 + 3 H2O  
	-llnl_gamma	3.0    
	log_k		116.4609
	-delta_H	-687.08		kJ/mol
#	deltafH		-2.495		kcal/mol
	-analytic	-8.2621e1 -1.4671e-2 4.0068e4 2.9090e1 -2.5924e5
#	Range		0-350
	-Vm		6.2046 7.3685 2.8539 -3.0836 -0.34680
#	Extrapol	supcrt92
#	Ref		SHS89

1.5 O2 + NH3 = NO2- + H+ + H2O 
	-llnl_gamma	3.0    
	log_k		+46.8653
	-delta_H	-290.901	kJ/mol
#	deltafH		-25		kcal/mol
	-analytic	-1.7011e1 -3.3459e-2 1.3999e4 1.1078e1 -4.8255e4
#	Range		0-350
	-Vm		5.5864 5.859 3.4472 -3.0212 1.18470
#	Extrapol	supcrt92
#	Ref		SH88

2 O2 + NH3 = NO3- + H+ + H2O 
	-llnl_gamma	3.0    
	log_k		62.1001
	-delta_H	-387.045	kJ/mol
#	deltafH		-49.429		kcal/mol
	-analytic	-3.9468e1 -3.9697e-2 2.0614e4 1.8872e1 -2.1917e5
#	Range		0-350
	-Vm		7.3161 6.7824 -4.6838 -3.0594 1.09770
#	Extrapol	supcrt92
#	Ref		SH88

2 H+ + 2 SO3-2 = S2O4-2 + .5 O2 + H2O
	-llnl_gamma	5.0    
	log_k		-25.2076
#	deltafH		-0		kcal/mol
	-analytic	-2.3172e2 2.0393e-3 -7.1011 8.3239e1 9.4155e-1
#	Range		0-350
	-Vm		6.6784 8.528 2.3917 -3.1314 2.87720
#	Extrapol	supcrt92
#	Ref		SSW+97

2 SO3-2 + .5 O2 + 2 H+ = S2O6-2 + H2O
	-llnl_gamma	4.0    
	log_k		41.8289
#	deltafH		-0		kcal/mol
	-analytic	0.14458e3 0.61449e-1 0.71877e4 -0.58657e2 0.11211e3
#	Range		0-350
	-Vm		8.2257 12.3054 0.9087 -3.2876 2.75870
#	Extrapol	supcrt92
#	Ref		SSW+97

2 SO3-2 + 1.5 O2 + 2 H+ = S2O8-2 + H2O
	-llnl_gamma	4.0    
	log_k		70.7489
#	deltafH		-0		kcal/mol
	-analytic	0.18394e3 0.60414e-1 0.13864e5 -0.71804e2 0.21628e3
#	Range		0-350
	-Vm		13.3622 24.8454 -4.0153 -3.8061 2.32810
#	Extrapol	supcrt92
#	Ref		SH88

O2 + H+ + 3 HS- = S3-2 + 2 H2O
	-llnl_gamma	4.0    
	log_k		79.3915
#	deltafH		-0		kcal/mol
	-analytic	-0.51626e2 0.70208e-2 0.31797e5 0.11927e2 -0.64249e6
	-mass_balance	S(-2)3
#	Range		0-350
	-Vm		6.7661 8.7396 2.315 -3.1403 2.97490
#	Extrapol	supcrt92
#	Ref		SH88

3 SO3-2 + 4 H+ = S3O6-2 + .5 O2 + 2 H2O
	-llnl_gamma	4.0    
	log_k		-6.2316
#	deltafH		-0		kcal/mol
	-analytic	0.23664e3 0.12702 -0.10110e5 -0.99715e2 -0.15783e3
#	Range		0-350
	-Vm		8.4155 12.7691 0.7268 -3.3068 2.71310
#	Extrapol	supcrt92
#	Ref		SSW+97

1.5 O2 + 2 H+ + 4 HS- = S4-2 + 3 H2O
	-llnl_gamma	4.0    
	log_k		125.2958
#	deltafH		-0		kcal/mol
	-analytic	0.20875e3 0.58133e-1 0.33278e5 -0.85833e2 0.51921e3
	-mass_balance	S(-2)4
#	Range		0-350
	-Vm 7.9381 11.6012 1.1902 -3.2586 2.83900
#	Extrapol	supcrt92
#	Ref		SH88

4 SO3-2 + 6 H+  = S4O6-2 + 1.5 O2 + 3 H2O
	-llnl_gamma	4.0    
	log_k		-38.3859
#	deltafH		-0		kcal/mol
	-analytic	0.32239e3 0.19555 -0.23617e5 -0.13729e3 -0.36862e3
#	Range		0-350
	-Vm		10.2672 17.2902 -1.0502 -3.4937 2.28050
#	Extrapol	supcrt92
#	Ref		SSW+97

2 O2 + 3 H+ + 5 HS- = S5-2 + 4 H2O
	-llnl_gamma	4.0    
	log_k		170.9802
#	deltafH		-0		kcal/mol
	-analytic	0.30329e3 0.88033e-1 0.44739e5 -0.12471e3 0.69803e3
	-mass_balance	S(-2)5
#	Range		0-350
	-Vm		9.1107 14.4645 0.0649 -3.3770 2.70510
#	Extrapol	supcrt92
#	Ref		SH88

5 SO3-2 + 8 H+ = S5O6-2 + 2.5 O2 + 4 H2O
	-llnl_gamma	4.0    
	log_k		-99.4206
#	deltafH		-0		kcal/mol
	-analytic	0.42074e3 0.25833 -0.43878e5 -0.18178e3 -0.68480e3
#	Range		0-350
	-Vm		8.8725 13.8806 0.2986 -3.3527 2.60760
#	Extrapol	supcrt92
#	Ref		SSW+97

H+ + HCO3- + HS- + NH3 = SCN- + 3 H2O
	-llnl_gamma	3.5    
	log_k		3.0070
#	deltafH		-0		kcal/mol
	-analytic	0.16539e3 0.49623e-1 -0.44624e4 -0.65544e2 -0.69680e2
#	Range		0-350
	-Vm		7.0244 9.3687 2.0708 -3.1662 1.10730
#	Extrapol	supcrt92, 64cri/cob
#	Ref		SSW+97, 92gre/fug match

SO4-2 = SO3-2 + 0.5 O2   
	-llnl_gamma	4.5    
	log_k		-46.6244
	-delta_H	267.985		kJ/mol
#	deltafH		-151.9		kcal/mol
	-analytic	-1.3771e1 6.5102e-4 -1.3330e4 4.7164 -2.0800e2
#	Range		0-350
	-Vm		2.4632 -1.7691 6.4494 -2.7058 3.321
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88

Sm+3 + 0.5 H2O = Sm+2 + H+ + 0.25 O2 
	-llnl_gamma	4.5    
	log_k		-47.9624
	-delta_H	326.911		kJ/mol
#	deltafH		-120.5		kcal/mol
	-analytic	-1.0217e1 7.7548e-3 -1.6285e4 5.4711 9.1931e4
#	Range		0-350
	-Vm		-0.0353 -7.8592 8.8194 -2.454 1.1512
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88

UO2+2 + H+ = U+3 + 0.75 O2 + 0.5 H2O 
	-llnl_gamma	5.0    
	log_k		-64.8028
	-delta_H	377.881		kJ/mol
#	deltafH		-489.1		kJ/mol
	-analytic	2.5133e1 6.4088e-3 -2.2542e4 -8.1423 3.4793e5
#	Range		0-350
	-Vm		-2.8438 -14.722 11.528 -2.1703 2.27520
#	Extrapol	supcrt92, 64cri/cob
#	Ref		SSW+97, 92gre/fug match

2 H+ + UO2+2 = U+4 + H2O + 0.5 O2 
	-llnl_gamma	5.5    
	log_k		-33.9491
	-delta_H	135.895		kJ/mol
#	deltafH		-591.2		kJ/mol
	-analytic	4.4837e1 1.0129e-2 -1.1787e4 -1.9194e1 4.6436e5
#	Range		0-350
	-Vm		-4.2836 -18.2319 12.8955 -2.0252 3.68350 # SSW+97
#	Extrapol	supcrt92, 64cri/cob
#	Ref		SSW+97, 92gre/fug match

UO2+2 + 0.5 H2O = UO2+ + H+ + 0.25 O2 
	-llnl_gamma	4.0    
	log_k		-20.0169
	-delta_H	133.759		kJ/mol
#	deltafH		-1025.13	kJ/mol
	-analytic	8.0480 9.5845e-3 -6.5994e3 -3.5515 -1.0298e2
#	Range		0-350
	-Vm		3.3767 0.4614 5.5725 -2.7980 0.63880 # SSW+97
#	Extrapol	supcrt92, 64cri/cob
#	Ref		SSW+97, 92gre/fug match

#---------------------------
# 156 other aqueous species
#---------------------------

2 CH3COOH + Al+3 = Al(CH3COO)2+ + 2 H+
	-llnl_gamma	4.0    
	log_k		-5.595
	-delta_H	-46.8566	kJ/mol
#	deltafH		-372.08		kcal/mol
	-analytic	-4.2528e1 2.1431e-3 3.1658e2 1.1585e1 5.8604e5
#	Range		0-350
	-Vm		8.9971 14.1844 0.1805 -3.3653 1.39180
#	Extrapol	supcrt92
#	Ref		SK93, differ by 2.2 log K at 0C, 1 log K at 300C
 
4 H2O + Al+3 = Al(OH)4- + 4 H+
	-llnl_gamma	4.0    
	log_k		-22.8833
	-delta_H	180.899		kJ/mol
#	deltafH		-222.079	kcal/mol
	-analytic	1.0803e1 -3.4379e-3 -9.7391e3 0e0 0e0
#	Range		0-350
	-Vm		3.7221 3.9954 -1.5879 -2.9441 1.74180
#	Extrapol	supcrt92
#	Ref		SSW+97, 95pok/hel match

H2O + Al+3 = Al(OH)+2 + H+
	-llnl_gamma	4.5    
	log_k		-4.9571
	-delta_H	49.798		kJ/mol
#	deltafH		-185.096	kcal/mol
	-analytic	-2.6224e-1 8.8816e-3 -1.8686e3 -4.3195e-1 -2.9158e1
#	Range		0-350
	-Vm		-1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # APP14, BH86
#	Extrapol	supcrt92
#	Ref		SSW+97, 95pok/hel match

B(OH)3 = BO2- + H+ + H2O
	-llnl_gamma	4.0    
	log_k		-9.2449
	-delta_H	16.3302		kJ/mol
#	deltafH		-184.6		kcal/mol
	-analytic	-1.0500e2 -3.3447e-2 1.4706e3 4.0724e1 2.2978e1
#	Range		0-350
	-Vm		-2.2428 -6.2065 -6.3216 -2.5224 1.75950
#	Extrapol	supcrt92
#	Ref		SH88
 
HCO3- + H+ = CO2 + H2O
	-CO2_llnl_gamma
	log_k		6.3447
	-delta_H	-9.7027		kJ/mol
#	deltafH		-98.9		kcal/mol
	-analytic	-1.0534e1 2.1746e-2 2.5216e3 7.9125e-1 3.9351e1
#	Range		0-350
	-Vm		6.2466 7.4711 2.8136 -3.0879 -0.1934
#	Extrapol	supcrt92
#	Ref		SSW01, SHS89

HCO3- = CO3-2 + H+
	-llnl_gamma	4.5    
	log_k		-10.3288
	-delta_H	14.6984		kJ/mol
#	deltafH		-161.385	kcal/mol
	-analytic	-6.9958e1 -3.3526e-2 -7.0846e1 2.8224e1 -1.0849
#	Range		0-350
	-Vm		2.8524 -3.9844 6.4142 -2.6143 3.39140
#	Extrapol	supcrt92
#	Ref		SH88

NH3 + HCO3- = CN- + 2 H2O + 0.5 O2 
	-llnl_gamma	3.0    
	log_k		-56.0505
	-delta_H	344.151		kJ/mol
#	deltafH		36		kcal/mol
	-analytic	-1.1174e1 3.8167e-3 -1.7063e4 4.5349e0 -2.6625e2
#	Range		0-350
	-Vm		5.4714 5.5813 3.5497 -3.0096 1.29000
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88

HCO3- + H+ = HCOOH + 0.5 O2
	-llnl_gamma	3.0		# EQ3/6 data0.sup
	log_k		-39.0524
	-analytic	-16.6 0.041 -10000 0 0 -1.205e-5
#	Range		0-350
	-Vm		6.3957 7.7713 2.8318 -3.1002 -0.33
#	Extrapol	supcrt92
#	Ref		Sho95

HCOOH = HCOO- + H+
	-llnl_gamma	3.5		# EQ3/6 data0.sup
	log_k		-3.752994
	-analytic	-6.456 0.01694 0 0 0 -2.71e-5
#	Range		0-350
	-Vm		5.7842 4.7242 7.363 -2.9742 1.3003
#	Extrapol	supcrt92
#	Ref		Sho95

2 HCO3- + 2 H+ = CH3COOH + 2 O2
	-llnl_gamma	3.0		# EQ3/6 data0.sup
	log_k		-141.99219
	-analytic	-6.037 0.0104 -42362 0 0 3.604e-5
#	Range		0-350
	-Vm		11.6198 5.218 2.5088 -2.9946 -0.15
#	Extrapol	supcrt92
#	Ref		Sho95

CH3COOH = CH3COO- + H+ 
	-llnl_gamma	4.5         
	log_k		-4.7572
#	deltafH		-0		kcal/mol
	-analytic	-0.96597e2 -0.34535e-1 0.19753e4 0.38593e2 0.30850e2
#	Range		0-350
	-Vm		7.7525 8.6996 7.5825 -3.1385 1.31820
#	Extrapol	supcrt92
#	Ref		Sho95

2 NH3 + HCO3- + H+ = CO(NH2)2 + 2 H2O
	-llnl_gamma	3.0		# EQ3/6 data0.sup
	log_k		6.631821
	-analytic	15.98 -4.41e-2 0 0 0 4.25e-5
#	Range		0-350
	-Vm		7.7158 7.3031 10.9353 -3.0808 -0.3006
#	Extrapol	supcrt92
#	Ref		SM93

3 H+ + 3 HCO3- + H2O = C3H8 + 5 O2
	-llnl_gamma	3.0		# thermo.com.V8.R6+.tdat
	log_k		-363.088
	-analytic	-8.04e2 1.877 0 0 0 -1.33e-3
#	Range		0-350
	-Vm		10.768 17.6785 -0.5878 -3.5097 -0.165
#	Extrapol	supcrt92
#	Ref		SH90

H+ + HCO3- + H2O = CH3OH + 1.5 O2
	-llnl_gamma	3.0		# EQ3/6 data0.sup
	log_k		-117.9046
	-analytic	-262.5446137 6.159125942e-1 0 0 0 -4.375362728e-4
#	Range		0-350
	-Vm		6.9383 5.5146 11.4018 -3.0069 -0.14760
#	Extrapol	supcrt92
#	Ref		SH90

H2O + 2 HCO3- + 2 H+ = CH3CH2OH + 3 O2
	-llnl_gamma	3.0		# EQ3/6 data0.sup
	log_k		-224.1415
	-analytic	-423.8 0.989 -10003 0 0 -6.93e-4
#	Range		0-350
	-Vm		9.2333 9.9581 12.1445 -3.1906 -0.2037
#	Extrapol	supcrt92
#	Ref		SH90

HCO3- + H+ = CH2O + O2
	-llnl_gamma	3.0		# EQ3/6 data0.sup
	log_k		-86.57248
	-analytic	-17.3 0.0404 -24072 0 0 -6.57e-6
#	Range		0-350
	-Vm		5.3113 5.3139 3.3901 -2.9986 -0.3984
#	Extrapol	supcrt92
#	Ref		SS93

2 CH3COOH + Ca+2 = Ca(CH3COO)2 + 2 H+
	-llnl_gamma	3.0    
	log_k		-7.3814
	-delta_H	-2.7196		kJ/mol
#	deltafH		-362.65		kcal/mol
	-analytic	-1.0320e1 4.0012e-3 -3.6281e3 2.4421 7.0175e5
#	Range		0-350
	-Vm		12.9911 23.9379 -3.6556 -3.7685 -0.03
#	Extrapol	supcrt92
#	Ref		SK93
 
Ca+2 + CH3COOH = CaCH3COO+ + H+
	-llnl_gamma	4.0    
	log_k		-3.8263
	-delta_H	1.17152		kJ/mol
#	deltafH		-245.62		kcal/mol
	-analytic	-8.8826 3.1672e-3 -1.0764e3 2.0526 2.3599e5
#	Range		0-350
	-Vm		5.9002 6.6232 3.1505 -3.0527 0.36360
#	Extrapol	supcrt92
#	Ref		SK93

HCO3- + Ca+2 = CaCO3 + H+
	-llnl_gamma	3.0    
	log_k		-7.0017
	-delta_H	30.5767		kJ/mol
#	deltafH		-287.39		kcal/mol
	-analytic	2.3045e2 5.5350e-2 -8.5056e3 -9.1096e1 -1.3279e2
#	Range		0-350
	-Vm		-0.3907 -8.7325 9.1753 -2.4179 -0.038
#	Extrapol	supcrt92
#	Ref		SSH97

Cl- + Ca+2 = CaCl+
	-llnl_gamma	4.0    
	log_k		-0.6956
	-delta_H	2.02087		kJ/mol
#	deltafH		-169.25		kcal/mol
	-analytic	8.1498e1 3.8387e-2 -1.3763e3 -3.5968e1 -2.1501e1
#	Range		0-350
	-Vm		2.7148 -1.1497 6.1949 -2.7314 0.48620
#	Extrapol	supcrt92
#	Ref		SSH97 differ by 0.3 log K at 0C, 1.2 log K at 300C

2 Cl- + Ca+2 = CaCl2
	-llnl_gamma	3.0    
	log_k		-0.6436
	-delta_H	-5.8325		kJ/mol
#	deltafH		-211.06		kcal/mol
	-analytic	1.8178e2 7.6910e-2 -3.1088e3 -7.8760e1 -4.8563e1
#	Range		0-350
	-Vm		6.2187 7.4058 2.8322 -3.0851 -0.038
#	Extrapol	supcrt92
#	Ref		SSH97
 
SO4-2 + Ca+2 = CaSO4
	-llnl_gamma	3.0    
	log_k		2.1111
	-delta_H	5.4392		kJ/mol
#	deltafH		-345.9		kcal/mol
	-analytic	2.8618e2 8.4084e-2 -7.6880e3 -1.1449e2 -1.2005e2
#	Range		0-350
	-Vm		2.7910 -.9666 6.1300 -2.7390 -.0010 # phreeqc.dat, SSH97
#	Extrapol	supcrt92
#	Ref		SSH97

2 CH3COOH + Co+2 = Co(CH3COO)2 + 2 H+
	-llnl_gamma	3.0    
	log_k		-7.1468
	-delta_H	-22.4262	kJ/mol
#	deltafH		-251.46		kcal/mol
	-analytic	-2.0661e1 2.9014e-3 -2.2146e3 5.1702 6.4968e5
#	Range		0-350
	-Vm		11.9141 21.312 -2.6321 -3.6599 3.49629
#	Extrapol	supcrt92
#	Ref		SK93

3 CH3COOH + Co+2 = Co(CH3COO)3- + 3 H+
	-llnl_gamma	4.0    
	log_k		-11.281
	-delta_H	-48.2415	kJ/mol
#	deltafH		-373.73		kcal/mol
	-analytic	6.3384e1 -4.0669e-3 -1.4715e4 -1.9518e1 2.1524e6
#	Range		0-350
	-Vm		20.3474 41.8989 -10.7127 -4.5110 1.47140
#	Extrapol	supcrt92
#	Ref		SK93

Co+2 + CH3COOH = CoCH3COO+ + H+
	-llnl_gamma	4.0    
	log_k		-3.2985
	-delta_H	-8.70272	kJ/mol
#	deltafH		-132.08		kcal/mol
	-analytic	-5.4858 1.9147e-3 -1.1292e3 9.0555e-1 2.8223e5
#	Range		0-350
	-Vm		5.0294 4.4992 3.9806 -2.9649 0.64720
#	Extrapol	supcrt92
#	Ref		SK93

Co+2 + Cl- = CoCl+
	-llnl_gamma	4.0    
	log_k		0.1547
	-delta_H	1.71962		kJ/mol
#	deltafH		-53.422		kcal/mol
	-analytic	1.5234e2 5.6958e-2 -3.3258e3 -6.3849e1 -5.1942e1
#	Range		0-350
	-Vm	1.8028 -3.3766 7.0702 -2.6394 0.71910
#	Extrapol	supcrt92, 64cri/cob
#	Ref		SSW+97, 74nau/ryz match
 
2 H+ + 2 CrO4-2 = Cr2O7-2 + H2O
	-llnl_gamma	4.0    
	log_k		14.5192
	-delta_H	-13.8783	kJ/mol
#	deltafH		-356.2		kcal/mol
	-analytic	1.3749e2 6.5773e-2 -7.9472e2 -5.6525e1 -1.2441e1
#	Range		0-350
	-Vm		12.4303 22.568 -3.1161 -3.7119 2.12160
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88

2 CH3COOH + Cu+2 = Cu(CH3COO)2 + 2 H+
	-llnl_gamma	3.0    
	log_k		-5.8824
	-delta_H	-25.899		kJ/mol
#	deltafH		-222.69		kcal/mol
	-analytic	-2.6689e1 1.8048e-3 -1.8244e3 7.7008 6.5408e5
#	Range		0-350
	-Vm		11.8801 21.2264 -2.5925 -3.6564 -0.03
#	Extrapol	supcrt92
#	Ref		SK93

2 CH3COOH + Cu+ = Cu(CH3COO)2- + 2 H+
	-llnl_gamma	4.0    
	log_k		-9.2139
	-delta_H	-19.5476	kJ/mol
#	deltafH		-219.74		kcal/mol
	-analytic	-3.2712e2 -5.9087e-2 1.1386e4 1.2017e2 1.7777e2
#	Range		0-350
	-Vm		15.0715 29.0205 -5.6592 -3.9786 1.06910
#	Extrapol	supcrt92
#	Ref		SK93

3 CH3COOH + Cu+2 = Cu(CH3COO)3- + 3 H+
	-llnl_gamma	4.0    
	log_k		-9.3788
	-delta_H	-53.2205	kJ/mol
#	deltafH		-345.32		kcal/mol
	-analytic	3.9475e1 -6.2867e-3 -1.3233e4 -1.0643e1 2.1121e6
#	Range		0-350
	-Vm		20.2654 41.7019 -10.6422 -4.5029 1.3408
#	Extrapol	supcrt92
#	Ref		SK93
 
Cu+ + CH3COOH = CuCH3COO + H+
	-llnl_gamma	3.0    
	log_k		-4.4274
	-delta_H	-4.19237	kJ/mol
#	deltafH		-99.97		kcal/mol
	-analytic	6.3784 -4.5464e-4 -1.9995e3 -2.8359 2.7224e5
#	Range		0-350
	-Vm		7.3009 10.0483 1.7946 -3.1943 -0.03
#	Extrapol	supcrt92
#	Ref		SK93

Cu+2 + CH3COOH = CuCH3COO+ + H+
	-llnl_gamma	4.0    
	log_k		-2.5252
	-delta_H	-11.3805	kJ/mol
#	deltafH		-103.12		kcal/mol
	-analytic	-1.4930e1 5.1278e-4 -3.4874e2 4.3605 2.3504e5
#	Range		0-350
	-Vm		4.9722 4.362 4.029 -2.9592 0.56810
#	Extrapol	supcrt92
#	Ref		SK93

2 CH3COOH + Eu+3 = Eu(CH3COO)2+ + 2 H+
	-llnl_gamma	4.0    
	log_k		-4.6912
	-delta_H	-28.3257	kJ/mol
#	deltafH		-383.67		kcal/mol
	-analytic	-2.7589e1 1.5772e-3 -1.1008e3 7.9899 5.6652e5
#	Range		0-350
	-Vm		9.3029 14.9307 -0.1123 -3.3961 0.7384
#	Extrapol	supcrt92
#	Ref		SK93

3 CH3COOH + Eu+3 = Eu(CH3COO)3 + 3 H+
	-llnl_gamma	3.0    
	log_k		-7.9824
	-delta_H	-47.3629	kJ/mol
#	deltafH		-504.32		kcal/mol
	-analytic	-3.7470e1 1.9276e-3 -1.0318e3 9.7078 7.4558e5
#	Range		0-350
	-Vm		16.6413 32.8512 -7.1605 -4.137 -0.03
#	Extrapol	supcrt92
#	Ref		SK93
 
Eu+3 + CH3COOH = EuCH3COO+2 + H+
	-llnl_gamma	4.5    
	log_k		-1.9571
	-delta_H	-14.5603	kJ/mol
#	deltafH		-264.28		kcal/mol
	-analytic	-1.5090e1 1.0352e-3 -6.4435e2 4.6225 3.1649e5
#	Range		0-350
	-Vm		2.75 -1.0666 6.169 -2.7348 1.5269
#	Extrapol	supcrt92
#	Ref		SK93

HCO3- + Eu+3 = EuCO3+ + H+
	-llnl_gamma	4.0    
	log_k		-2.4057
	-delta_H	90.7844		kJ/mol
#	deltafH		-287.9		kcal/mol # OBIGT: -311.27 kcal/mol HSS95
	-analytic	2.3548e2 5.3819e-2 -6.9908e3 -9.3137e1 -1.0915e2
#	Range		0-350
	-Vm		-0.9842 -10.1779 9.7343 -2.3581 1.2465
#	Extrapol	supcrt92
#	Ref		HSS95

Eu+2 + Cl- = EuCl+
	-llnl_gamma	4.0    
	log_k		0.3819
	-delta_H	8.50607		kJ/mol
#	deltafH		-164		kcal/mol
	-analytic	6.8695e1 3.7619e-2 -1.0809e3 -3.0665e1 -1.6887e1
#	Range		0-350
	-Vm		5.1742 4.8499 3.8487 -2.9794 0.2557
#	Extrapol	supcrt92
#	Ref		HSS95

Eu+3 + Cl- = EuCl+2
	-llnl_gamma	4.5    
	log_k		0.3086
	-delta_H	13.9453		kJ/mol
#	deltafH		-181.3		kcal/mol
	-analytic	7.9275e1 3.7878e-2 -1.7895e3 -3.4041e1 -2.7947e1
#	Range		0-350
	-Vm		-0.3777 -8.6968 9.1514 -2.4194 1.4671
#	Extrapol	supcrt92
#	Ref		HSS95

2 Cl- + Eu+3 = EuCl2+
	-llnl_gamma	4.0    
	log_k		-0.0425
	-delta_H	18.6857		kJ/mol
#	deltafH		-220.1		kcal/mol # OBIGT: -204.6 kcal/mol HSS95
	-analytic	2.1758e2 8.0336e-2 -5.5499e3 -9.0087e1 -8.6665e1
#	Range		0-350
	-Vm		9.1152 14.474 0.0641 -3.3773 -0.03
#	Extrapol	supcrt92
#	Ref		HSS95

3 Cl- + Eu+3 = EuCl3
	-llnl_gamma	3.0    
	log_k		-0.4669
	-delta_H	11.2926		kJ/mol
#	deltafH		-261.8		kcal/mol
	-analytic	4.2075e2 1.2890e-1 -1.1288e4 -1.7043e2 -1.7627e2
#	Range		0-350
	-Vm		6.2132 7.3881 2.8493 -3.0843 -0.03
#	Extrapol	supcrt92
#	Ref		HSS95

3 Cl- + Eu+2 = EuCl3-
	-llnl_gamma	4.0    
	log_k		2.0253
	-delta_H	-3.76978	kJ/mol
#	deltafH		-246.8		kcal/mol
	-analytic	1.1546e1 6.4683e-2 3.7299e3 -1.6672e1 5.8196e1
#	Range		0-350
	-Vm		13.946 26.2721 -4.579 -3.865 0.9527
#	Extrapol	supcrt92
#	Ref		HSS95

4 Cl- + Eu+3 = EuCl4-
	-llnl_gamma	4.0    
	log_k		-0.8913
	-delta_H	-9.90771	kJ/mol
#	deltafH		-306.8		kcal/mol
	-analytic	4.8122e2 1.3081e-1 -1.2950e4 -1.9302e2 -2.0222e2
#	Range		0-350
	-Vm		10.9946 19.066 -1.7473 -3.5671 1.787
#	Extrapol	supcrt92
#	Ref		HSS95

4 Cl- + Eu+2 = EuCl4-2
	-llnl_gamma	4.0    
	log_k		2.8470
	-delta_H	-19.9493	kJ/mol
#	deltafH		-290.6		kcal/mol
	-analytic	-1.2842e2 5.0789e-2 9.8815e3 3.3565e1 1.5423e2
#	Range		0-350
	-Vm		19.473 39.7656 -9.8784 -4.4228 2.4755
#	Extrapol	supcrt92
#	Ref		HSS95

HPO4-2 + H+ + Eu+3 = EuH2PO4+2
	-llnl_gamma	4.5    
	log_k		9.4484
	-delta_H	-17.0916	kJ/mol
#	deltafH		-457.6		kcal/mol
	-analytic	1.0873e2 6.3416e-2 2.7202e2 -4.8113e1 4.2122
#	Range		0-350
	-Vm		1.4946 -4.1236 7.3517 -2.6084 1.5372
#	Extrapol	supcrt92
#	Ref		HSS95

HCO3- + Eu+3 = EuHCO3+2
	-llnl_gamma	4.5    
	log_k		1.6258
	-delta_H	8.77803		kJ/mol
#	deltafH		-307.5		kcal/mol
	-analytic	3.9266e1 3.1608e-2 -9.8731e1 -1.8875e1 -1.5524
#	Range		0-350
	-Vm		0.4928 -6.572 8.3198 -2.5072 1.286
#	Extrapol	supcrt92
#	Ref		HSS95

NO3- + Eu+3 = EuNO3+2
	-llnl_gamma	4.5    
	log_k		0.8745
	-delta_H	-32.0955	kJ/mol
#	deltafH		-201.8		kcal/mol
	-analytic	1.7398e1 2.5467e-2 2.2683e3 -1.2810e1 3.5389e1
#	Range		0-350
	-Vm		1.2198 -4.7951 7.6178 -2.5807 1.6556
#	Extrapol	supcrt92
#	Ref		HSS95

H2O + Eu+3 = EuO+ + 2 H+
	-llnl_gamma	4.0    
	log_k		-16.337
	-delta_H	110.947		kJ/mol
#	deltafH		-186.5		kcal/mol # OBIGT: -177.81 kcal/mol HSS95
	-analytic	1.8876e2 3.0194e-2 -1.3836e4 -6.7770e1 -2.1595e2
#	Range		0-350
	-Vm		2.7458 -1.0743 6.1663 -2.7345 0.4322
#	Extrapol	supcrt92
#	Ref		HSS95

2 H2O + Eu+3 = EuO2- + 4 H+
	-llnl_gamma	4.0    
	log_k		-34.5066
	-delta_H	281.307		kJ/mol
#	deltafH		-214.1		kcal/mol # OBIGT: -219.06 kcal/mol HSS95
	-analytic	7.5244e1 3.7089e-4 -1.3587e4 -2.3859e1 -4.6713e5
#	Range		0-350
	-Vm		4.8468 4.0541 4.1548 -2.9465 1.1424
#	Extrapol	supcrt92
#	Ref		HSS95

2 H2O + Eu+3 = EuO2H + 3 H+
	-llnl_gamma	3.0    
	log_k		-25.4173
	-delta_H	222.313		kJ/mol
#	deltafH		-228.2		kcal/mol
	-analytic	3.6754e2 5.3868e-2 -2.4034e4 -1.3272e2 -3.7514e2
#	Range		0-350
	-Vm		4.8064 3.954 4.1968 -2.9424 -0.03
#	Extrapol	supcrt92
#	Ref		HSS95
 
H2O + Eu+3 = EuOH+2 + H+
	-llnl_gamma	4.5    
	log_k		-7.9075
	-delta_H	78.0065		kJ/mol
#	deltafH		-194.373	kcal/mol
	-analytic	6.7691e1 1.2066e-2 -6.1871e3 -2.3617e1 -9.6563e1
#	Range		0-350
	-Vm		2.6569 -1.2969 6.2659 -2.7253 1.1815
#	Extrapol	supcrt92
#	Ref		HSS95
 
SO4-2 + Eu+3 = EuSO4+
	-llnl_gamma	4.0    
	log_k		3.6430
	-delta_H	62.3416		kJ/mol
#	deltafH		-347.2		kcal/mol # OBIGT: -357.2 kcal/mol HSS95
	-analytic	3.0587e2 8.6208e-2 -9.0387e3 -1.2026e2 -1.4113e2
#	Range		0-350
	-Vm		1.4399 -4.2627 7.4184 -2.6027 0.779
#	Extrapol	supcrt92
#	Ref		HSS95

2 CH3COOH + Fe+2 = Fe(CH3COO)2 + 2 H+
	-llnl_gamma	3.0    
	log_k		-7.0295
	-delta_H	-20.2924	kJ/mol
#	deltafH		-259.1		kcal/mol
	-analytic	-2.9862e1 1.3901e-3 -1.6908e3 8.6283 6.0125e5
#	Range		0-350
	-Vm		12.1698 21.937 -2.8791 -3.6858 -0.038
#	Extrapol	supcrt92
#	Ref		SSH97, SK93
 
Fe+2 + CH3COOH = FeCH3COO+ + H+
	-llnl_gamma	4.0    
	log_k		-3.4671
	-delta_H	-3.80744	kJ/mol
#	deltafH		-139.06		kcal/mol
	-analytic	-1.3781e1 9.6253e-4 -7.5310e2 4.0135 2.3416e5
#	Range		0-350
	-Vm		5.2246 4.9785 3.7863 -2.9848 0.57560
#	Extrapol	supcrt92
#	Ref		SSH97, SK93

Fe+2 + Cl- = FeCl+
	-llnl_gamma	4.0    
	log_k		-0.1605
	-delta_H	3.02503		kJ/mol
#	deltafH		-61.26		kcal/mol
	-analytic	8.2435e1 3.7755e-2 -1.4765e3 -3.5918e1 -2.3064e1
#	Range		0-350
	-Vm		2.1468 -2.5367 6.7401 -2.6741 0.7003
#	Extrapol	supcrt92
#	Ref		SSH97

Fe+3 + Cl- = FeCl+2
	-llnl_gamma	4.5    
	log_k		-0.8108
	-delta_H	36.6421		kJ/mol
#	deltafH		-180.018	kJ/mol
	-analytic	1.6186e2 5.9436e-2 -5.1913e3 -6.5852e1 -8.1053e1
#	Range		0-350
	-Vm		-0.7164 -9.5277 9.4878 -2.3851 0.17013 # SSH97
#	Extrapol	supcrt92, 64cri/cob
#	Ref		SSH97, WEP+82 differ by 2.7 log K at 0C, 1.2 log K at 300C

2 Cl- + Fe+2 = FeCl2
	-llnl_gamma	3.0    
	log_k		-2.4541
	-delta_H	6.46846		kJ/mol
#	deltafH		-100.37		kcal/mol
	-analytic	1.9171e2 7.8070e-2 -4.1048e3 -8.2292e1 -6.4108e1
#	Range		0-350
	-Vm		5.5057 5.665 3.5164 -3.0131 -0.038
#	Extrapol	supcrt92
#	Ref		SSH97 differ by 7.2 log K at 0C, 3.2 log K at 300C !! flag
 
H2O + Fe+2 = FeOH+ + H+
	-llnl_gamma	4.0    
	log_k		-9.5
	-analytic	1.706e-1 0 -2.883e3
#	Range		0-350
	-Vm		-0.2561 -8.4039 9.0457 -2.4315 0.7003
#	Extrapol	supcrt92
#	Ref		SSW+97, Marion+03,08 match
 
H2O + Fe+3 = FeOH+2 + H+
	-llnl_gamma	4.5    
	log_k		-2.19
#	deltafH		-0		kcal/mol
	-analytic	5.300 0 -2.272e3
#	Range		0-350
	-Vm		-1.1562 -10.6009 9.9077 -2.3407 1.43820
#	Extrapol	supcrt92
#	Ref		SSW+97, Marion+08 match
 
2 CH3COOH + Gd+3 = Gd(CH3COO)2+ + 2 H+
	-llnl_gamma	4.0    
	log_k		-4.9625
	-delta_H	-22.3426	kJ/mol
#	deltafH		-401.74		kcal/mol
	-analytic	-4.3124e1 1.2995e-4 -4.3494e2 1.3677e1 5.1224e5
#	Range		0-350
	-Vm		9.4165 15.2134 -0.2342 -3.4078 0.6223
#	Extrapol	supcrt92
#	Ref		SK93

3 CH3COOH + Gd+3 = Gd(CH3COO)3 + 3 H+
	-llnl_gamma	3.0    
	log_k		-8.3489
	-delta_H	-37.9907	kJ/mol
#	deltafH		-521.58		kcal/mol
	-analytic	-8.8296e1 -5.0939e-3 1.2268e3 2.8513e1 6.0745e5
#	Range		0-350
	-Vm		16.8116 33.2662 -7.3215 -4.1541 -0.03
#	Extrapol	supcrt92
#	Ref		SK93
  
Gd+3 + CH3COOH = GdCH3COO+2 + H+
	-llnl_gamma	4.5    
	log_k		-2.1037
	-delta_H	-11.7152	kJ/mol
#	deltafH		-283.1		kcal/mol
	-analytic	-1.4118e1 1.6660e-3 -7.5206e2 4.2614 3.1187e5
#	Range		0-350
	-Vm		2.8605 -0.7945 6.0567 -2.7461 1.4477
#	Extrapol	supcrt92
#	Ref		SK93

HCO3- + Gd+3 = GdCO3+ + H+
	-llnl_gamma	4.0    
	log_k		-2.479
	-delta_H	89.9476		kJ/mol
#	deltafH		-307.6		kcal/mol # OBIGT: -330.22 kcal/mol HSS95
	-analytic	2.3628e2 5.4100e-2 -7.0746e3 -9.3413e1 -1.1046e2
#	Range		0-350
	-Vm		-0.953 -10.1036 9.7095 -2.3612 1.1729
#	Extrapol	supcrt92
#	Ref		HSS95

Gd+3 + Cl- = GdCl+2
	-llnl_gamma	4.5    
	log_k		0.3086
	-delta_H	14.7821		kJ/mol
#	deltafH		-200.6		kcal/mol
	-analytic	8.0750e1 3.8524e-2 -1.8591e3 -3.4621e1 -2.9034e1
#	Range		0-350
	-Vm		-0.263 -8.417 9.0425 -2.4309 1.4006
#	Extrapol	supcrt92
#	Ref		HSS95

2 Cl- + Gd+3 = GdCl2+
	-llnl_gamma	4.0    
	log_k		-0.0425
	-delta_H	21.1961		kJ/mol
#	deltafH		-239		kcal/mol
	-analytic	2.1754e2 8.0996e-2 -5.6121e3 -9.0067e1 -8.7635e1
#	Range		0-350
	-Vm		2.8492 -0.8272 6.0803 -2.7447 0.6305
#	Extrapol	supcrt92
#	Ref		HSS95

3 Cl- + Gd+3 = GdCl3
	-llnl_gamma	3.0    
	log_k		-0.4669
	-delta_H	15.895		kJ/mol
#	deltafH		-280.2		kcal/mol
	-analytic	4.1398e2 1.2829e-1 -1.1230e4 -1.6770e2 -1.7535e2
#	Range		0-350
	-Vm		6.3836 7.8028 2.6888 -3.1015 -0.03
#	Extrapol	supcrt92
#	Ref		HSS95

4 Cl- + Gd+3 = GdCl4-
	-llnl_gamma	4.0    
	log_k		-0.8913
	-delta_H	-1.53971	kJ/mol
#	deltafH		-324.3		kcal/mol
	-analytic	4.7684e2 1.3157e-1 -1.3068e4 -1.9118e2 -2.0405e2
#	Range		0-350
	-Vm		11.1317 19.3995 -1.8761 -3.5809 1.631
#	Extrapol	supcrt92
#	Ref		HSS95

HPO4-2 + H+ + Gd+3 = GdH2PO4+2
	-llnl_gamma	4.5    
	log_k		9.4484
	-delta_H	-14.9996	kJ/mol
#	deltafH		-476.6		kcal/mol
	-analytic	1.1058e2 6.4124e-2 1.3451e2 -4.8758e1 2.0660
#	Range		0-350
	-Vm		1.6048 -3.8632 7.2686 -2.6192 1.4574
#	Extrapol	supcrt92
#	Ref		HSS95

HCO3- + Gd+3 = GdHCO3+2
	-llnl_gamma	4.5    
	log_k		1.6991
	-delta_H	10.0332		kJ/mol
#	deltafH		-326.7		kcal/mol
	-analytic	4.1973e1 3.2521e-2 -2.3475e2 -1.9864e1 -3.6757
#	Range		0-350
	-Vm		0.6026 -6.3043 8.2153 -2.5183 1.2048
#	Extrapol	supcrt92
#	Ref		HSS95
 
NO3- + Gd+3 = GdNO3+2
	-llnl_gamma	4.5    
	log_k		0.4347
	-delta_H	-25.8195	kJ/mol
#	deltafH		-219.8		kcal/mol
	-analytic	2.0253e1 2.6372e-2 1.8785e3 -1.3723e1 2.9306e1
#	Range		0-350
	-Vm		1.3205 -4.5535 7.5323 -2.5907 1.5475
#	Extrapol	supcrt92
#	Ref		HSS95

H2O + Gd+3 = GdO+ + 2 H+
	-llnl_gamma	4.0    
	log_k		-16.337
	-delta_H	113.039		kJ/mol
#	deltafH		-205.5		kcal/mol # OBIGT: -196.63 kcal/mol HSS95
	-analytic	2.0599e2 3.2521e-2 -1.4547e4 -7.4048e1 -2.2705e2
#	Range		0-350
	-Vm		2.8425 -0.8409 6.0801 -2.7441 0.3539
#	Extrapol	supcrt92
#	Ref		HSS95

2 H2O + Gd+3 = GdO2- + 4 H+
	-llnl_gamma	4.0    
	log_k		-34.4333
	-delta_H	283.817		kJ/mol
#	deltafH		-233		kcal/mol # OBIGT: -237.73 kcal/mol HSS95
	-analytic	1.2067e2 6.6276e-3 -1.5531e4 -4.0448e1 -4.3587e5
#	Range		0-350
	-Vm		5.0344 4.5111 3.9769 -2.9654 1.0495 -1
#	Extrapol	supcrt92
#	Ref		HSS95

2 H2O + Gd+3 = GdO2H + 3 H+
	-llnl_gamma	3.0    
	log_k		-25.2707
	-delta_H	224.405		kJ/mol
#	deltafH		-247.2		kcal/mol
	-analytic	3.6324e2 4.7938e-2 -2.4275e4 -1.2988e2 -3.7889e2
#	Range		0-350
	-Vm		5.0117 4.4582 3.9917 -2.9632 -0.03
#	Extrapol	supcrt92
#	Ref		HSS95

H2O + Gd+3 = GdOH+2 + H+
	-llnl_gamma	4.5    
	log_k		-7.9075
	-delta_H	79.9855		kJ/mol
#	deltafH		-213.4		kcal/mol # OBIGT: 212.9 kcal/mol HSS95
	-analytic	8.3265e1 1.4153e-2 -6.8229e3 -2.9301e1 -1.0649e2
#	Range		0-350
	-Vm		2.7389 -1.0936 6.1786 -2.7337 1.1
#	Extrapol	supcrt92
#	Ref		HSS95
 
SO4-2 + Gd+3 = GdSO4+
	-llnl_gamma	4.0    
	log_k		-3.687
	-delta_H	20.0832		kJ/mol
#	deltafH		-376.8		kcal/mol
	-analytic	3.0783e2 8.6798e-2 -1.1246e4 -1.2109e2 -1.7557e2
	#analytic	3.18e2 7.5e-2 -1.12e4 -1.21e2 -1.76e2
#	Range		0-350
	-Vm		1.4776 -4.1705 7.3822 -2.6065 0.7287
#	Extrapol	supcrt92
#	Ref		HSS95 differ by 7 log K at 0C, 3.7 log K at 300C !! flag
 
2 HPO4-2 + 2 H+ = H2P2O7-2 + H2O
	-llnl_gamma	4.0    
	log_k		12.0709
	-delta_H	19.7192		kJ/mol
#	deltafH		-544.6		kcal/mol
	-analytic	1.4825e2 6.7021e-2 -2.8329e3 -5.9251e1 -4.4248e1
#	Range		0-350
	-Vm		9.0963 14.4299 0.076 -3.3754 2.62180
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88
 
HPO4-2 + H+ = H2PO4-
	-llnl_gamma	4.0    
	log_k		7.2054
	-delta_H	-4.20492	kJ/mol
#	deltafH		-309.82		kcal/mol
	-analytic	8.2149e1 3.4077e-2 -1.0431e3 -3.2970e1 -1.6301e1
#	Range		0-350
	-Vm		6.4875 8.0594 2.5823 -3.1122 1.3003
#	Extrapol	supcrt92
#	Ref		SH88

3 H+ + 2 HPO4-2 = H3P2O7- + H2O
	-llnl_gamma	4.0    
	log_k		14.4165
	-delta_H	21.8112		kJ/mol
#	deltafH		-544.1		kcal/mol
	-analytic	2.3157e2 1.0161e-1 -4.3723e3 -9.4050e1 -6.8295e1
#	Range		0-350
	-Vm		9.1292 14.5122 0.0398 -3.3788 0.8568
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88

2 H+ + HPO4-2 = H3PO4
	-llnl_gamma	3.0    
	log_k		9.3751
	-delta_H	3.74468		kJ/mol
#	deltafH		-307.92		kcal/mol
	-analytic	1.8380e2 6.7320e-2 -3.7792e3 -7.3463e1 -5.9025e1
#	Range		0-350
	-Vm		8.2727 12.4182 0.8691 -3.2924 -0.22
#	Extrapol	supcrt92
#	Ref		SHS89
 
4 H+ + 2 HPO4-2 = H4P2O7 + H2O
	-llnl_gamma	3.0    
	log_k		15.9263
	-delta_H	29.7226		kJ/mol
#	deltafH		-2268.6		kJ/mol
	-analytic	6.9026e2 2.4309e-1 -1.6165e4 -2.7989e2 -2.7475e2
#	Range		0-350
	-Vm		9.2975 14.9199 -0.113 -3.3957 -0.62920
#	Extrapol	supcrt92, 69hel
#	Ref		SSW+97, WEP+82
 
3 H2O + Al+3 = Al(OH)3 + 3 H+
	-llnl_gamma	3.0    
	log_k		-16.4329
	-delta_H	144.704		kJ/mol
#	deltafH		-230.73		kcal/mol
	-analytic	4.2012e1 1.9980e-2 -7.7847e3 -1.5470e1 -1.2149e2
#	Range		0-350
	-Vm		3.5338 0.8485 5.4132 -2.8140 -0.03
#	Extrapol	supcrt92
#	Ref		SSW+97, 95pok/hel
 
H+ + CN- = HCN
	-llnl_gamma	3.0    
	log_k		9.2359
	-delta_H	-43.5136	kJ/mol
#	deltafH		25.6		kcal/mol
	-analytic	1.0536e1 2.3105e-2 3.3038e3 -7.7786 5.1550e1
#	Range		0-350
	-Vm		8.0083 11.7705 1.1286 -3.2655 -0.1113
#	Extrapol	supcrt92
#	Ref		SM93

H+ + Cl- = HCl
	-llnl_gamma	3.0    
	log_k		-0.67
#	deltafH		-0		kcal/mol
	-analytic	4.1893e2 1.1103e-1 -1.1784e4 -1.6697e2 -1.8400e2
#	Range		0-350
	-Vm		1.2547 -4.7177 7.6043 -2.5840 -0.7
#	Extrapol	supcrt92, ?
#	Ref		MS97, 87rua/sew match
 
H+ + CrO4-2 = HCrO4-
	-llnl_gamma	4.0    
	log_k		6.4944
	-delta_H	2.9288		kJ/mol
#	deltafH		-209.9		kcal/mol
	-analytic	4.4944e1 3.2740e-2 1.8400e2 -1.9722e1 2.8578
#	Range		0-350
	-Vm		8.2211 12.2925 0.9174 -3.2871 0.923
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88

NO2- + H+ = HNO2
	-llnl_gamma	3.0    
	log_k		3.2206
	-delta_H	-14.782		kJ/mol
#	deltafH		-119.382	kJ/mol
	-analytic	1.9653 -1.1603e-4 0 0 1.1569e5
#	Range		0-350
	-Vm		5.9151 6.659 3.1378 -3.0542 -0.1507
#	Extrapol	supcrt92, 69hel
#	Ref		SSW+97, WEP+82 match

NO3- + H+ = HNO3
	-llnl_gamma	3.0    
	log_k		-1.3025
	-delta_H	16.8155		kJ/mol
#	deltafH		-45.41		kcal/mol
	-analytic	9.9744e1 3.4866e-2 -3.0975e3 -4.0830e1 -4.8363e1
#	Range		0-350
	-Vm		7.1623 9.7063 1.9367 -3.1802 -0.3066
#	Extrapol	supcrt92
#	Ref		SSW+97, SHS89

2 HPO4-2 + H+ = HP2O7-3 + H2O
	-llnl_gamma	4.0    
	log_k		5.4498
	-delta_H	23.3326		kJ/mol
#	deltafH		-2274.99	kJ/mol
	-analytic	3.9159e2 1.5438e-1 -8.7071e3 -1.6283e2 -1.3598e2
#	Range		0-350
	-Vm		8.3302 12.5558 0.8208 -3.2980 4.647
#	Extrapol	supcrt92, 64cri/cob
#	Ref		SSW+97, WEP+82 differ by 0 log K at 0C, 4.7 log K at 300C
 
SO3-2 + H+ = HSO3-
	-llnl_gamma	4.0    
	log_k		7.2054
	-delta_H	9.33032		kJ/mol
#	deltafH		-149.67		kcal/mol
	-analytic	5.5899e1 3.3623e-2 -5.0120e2 -2.3040e1 -7.8373
#	Range		0-350
	-Vm		6.7014 8.5816 2.3771 -0.31338 1.1233
#	Extrapol	supcrt92
#	Ref		SH88

SO4-2 + H+ = HSO4-
	-llnl_gamma	4.0    
	log_k		1.9791
	-delta_H	20.5016		kJ/mol
#	deltafH		-212.5		kcal/mol
	-analytic	4.9619e1 3.0368e-2 -1.1558e3 -2.1335e1 -1.8051e1
#	Range		0-350
	-Vm		8.2 9.2590  2.1108  -3.1618 1.1748  0 -0.3 15 0 1 # APP14
#	Extrapol	supcrt92
#	Ref		SH88

SiO2 + H2O = HSiO3- + H+
	-llnl_gamma	4.0    
	log_k		-9.9525
	-delta_H	25.991		kJ/mol
#	deltafH		-271.88		kcal/mol
	-analytic	6.4211e1 -2.4872e-2 -1.2707e4 -1.4681e1 1.0853e6
#	Range		0-350
	-Vm		2.9735 -0.5158 5.9467 -2.7575 1.5511
#	Extrapol	supcrt92
#	Ref		SSH97
 
2 CH3COOH + K+ = K(CH3COO)2- + 2 H+
	-llnl_gamma	4.0    
	log_k		-10.2914
	-delta_H	-1.79912	kJ/mol
#	deltafH		-292.9		kcal/mol
	-analytic	-2.3036e2 -4.6369e-2 7.0305e3 8.4997e1 1.0977e2
#	Range		0-350
	-Vm		17.8481 35.7984 -8.3193 -4.2588 0.7097
#	Extrapol	supcrt92
#	Ref		SK93

K+ + CH3COOH = KCH3COO + H+
	-llnl_gamma	3.0    
	log_k		-5.0211
	-delta_H	4.8116		kJ/mol
#	deltafH		-175.22		kcal/mol
	-analytic	-2.6676e-1 -3.2675e-3 -1.7143e3 -7.1907e-3 1.7726e5
#	Range		0-350
	-Vm		17.8481 35.7984 -8.3193 -4.2588 0.7097
#	Extrapol	supcrt92
#	Ref		SK93

K+ + Cl- = KCl
	-llnl_gamma	3.0    
	log_k		-1.4946
	-delta_H	14.1963		kJ/mol
#	deltafH		-96.81		kcal/mol
	-analytic	1.3650e2 3.8405e-2 -4.4014e3 -5.4421e1 -6.8721e1
#	Range		0-350
	-Vm		6.9932 9.297 2.0889 -3.1633 -0.038
#	Extrapol	supcrt92
#	Ref		SSH97 
 
SO4-2 + K+ + H+ = KHSO4
	-llnl_gamma	3.0    
	log_k		0.8136
	-delta_H	29.8319		kJ/mol
#	deltafH		-270.54		kcal/mol
	-analytic	1.2620e2 5.7349e-2 -3.3670e3 -5.3003e1 -5.2576e1
#	Range		0-350
	-Vm		9.1226 14.4964 0.0453 -3.3782 -0.001
#	Extrapol	supcrt92
#	Ref		SSH97

SO4-2 + K+ = KSO4-
	-llnl_gamma	4.0    
	log_k		0.8796
	-delta_H	2.88696		kJ/mol
#	deltafH		-276.98		kcal/mol
	-analytic	9.9073e1 3.7817e-2 -2.1628e3 -4.1297e1 -3.3779e1
#	Range		0-350
	-Vm		6.8 7.06 3.0 -2.07 1.1 0 0 0 0 1 # APP14
#	Extrapol	supcrt92
#	Ref		SSH97

2 CH3COOH + Li+ = Li(CH3COO)2- + 2 H+
	-llnl_gamma	4.0    
	log_k		-9.2674
	-delta_H	-24.7609	kJ/mol
#	deltafH		-304.67		kcal/mol
	-analytic	-3.3702e2 -6.0849e-2 1.1952e4 1.2359e2 1.8659e2
#	Range		0-350
	-Vm		16.3412 32.1211 -6.8785 -4.1068 1.2422
#	Extrapol	supcrt92
#	Ref		SK93

Li+ + CH3COOH = LiCH3COO + H+
	-llnl_gamma	3.0    
	log_k		-4.4589
	-delta_H	-6.64419	kJ/mol
#	deltafH		-184.24		kcal/mol
	-analytic	-3.8391 -7.3938e-4 -1.0829e3 3.4134e-1 2.1318e5
#	Range		0-350
	-Vm		8.388 12.6976 0.7639 -3.3038 -0.03
#	Extrapol	supcrt92
#	Ref		SK93

Li+ + Cl- = LiCl
	-llnl_gamma	3.0    
	log_k		-1.5115
	-delta_H	3.36812		kJ/mol
#	deltafH		-105.68		kcal/mol
	-analytic	1.2484e2 4.1941e-2 -3.2439e3 -5.1708e1 -5.0655e1
#	Range		0-350
	-Vm		5.5837 5.8554 3.4416 -3.021 -0.038
#	Extrapol	supcrt92
#	Ref		SSH97

2 CH3COOH + Mg+2 = Mg(CH3COO)2 + 2 H+
	-llnl_gamma	3.0    
	log_k		-7.473
	-delta_H	-23.8195	kJ/mol
#	deltafH		-349.26		kcal/mol
	-analytic	-4.3954e1 -3.1842e-4 -1.2033e3 1.3556e1 6.3058e5
#	Range		0-350
	-Vm		12.3982 22.4898 -3.0853 -3.7086 -0.03
#	Extrapol	supcrt92
#	Ref		SK93
 
Mg+2 + CH3COOH = MgCH3COO+ + H+
	-llnl_gamma	4.0    
	log_k		-3.4781
	-delta_H	-8.42239	kJ/mol
#	deltafH		-229.48		kcal/mol
	-analytic	-2.3548e1 -1.6071e-3 -4.2228e2 7.7009 2.5981e5
#	Range		0-350
	-Vm		5.4981 5.6424 3.5341 -3.0122 0.7483
#	Extrapol	supcrt92
#	Ref		SK93

Mg+2 + Cl- = MgCl+
	-llnl_gamma	4.0    
	log_k		-0.1349
	-delta_H	-0.58576	kJ/mol
#	deltafH		-151.44		kcal/mol
	-analytic	4.3363e1 3.2858e-2 1.1878e2 -2.1688e1 1.8403
#	Range		0-350
	-Vm		2.223 -2.3505 6.6669 -2.6818 0.84490
#	Extrapol	supcrt92
#	Ref		SSH97

SO4-2 + Mg+2 = MgSO4
	-llnl_gamma	3.0    
	log_k		2.4117
	-delta_H	19.6051		kJ/mol
#	deltafH		-1355.96	kJ/mol
	-analytic	1.7994e2 6.4715e-2 -4.7314e3 -7.3123e1 -8.0408e1
#	Range		0-350
	-Vm		2.4 -0.97 6.1 -2.74 # APP14
#	Extrapol	supcrt92, 69hel
#	Ref		MS97, 82mar/smi match

2 CH3COOH + Mn+2 = Mn(CH3COO)2 + 2 H+
	-llnl_gamma	3.0    
	log_k		-7.4547
	-delta_H	-11.4893	kJ/mol
#	deltafH		-287.67		kcal/mol
	-analytic	-9.0558e-1 5.9656e-3 -4.3531e3 -1.1063 8.0323e5
#	Range		0-350
	-Vm		13.1542 24.3405 -3.8236 -3.7851 -0.03
#	Extrapol	supcrt92
#	Ref		SK93

3 CH3COOH + Mn+2 = Mn(CH3COO)3- + 3 H+
	-llnl_gamma	4.0    
	log_k		-11.8747
	-delta_H	-30.3591	kJ/mol
#	deltafH		-408.28		kcal/mol
	-analytic	-3.8531 -9.9140e-3 -1.2065e4 5.1424 2.0175e6
#	Range		0-350
	-Vm		21.6217 45.0124 -11.9409 -4.6397 1.15360
#	Extrapol	supcrt92
#	Ref		SK93

Mn+2 + CH3COOH = MnCH3COO+ + H+
	-llnl_gamma	4.0    
	log_k		-3.5404
	-delta_H	-3.07942	kJ/mol
#	deltafH		-169.56		kcal/mol
	-analytic	-1.4061e1 1.8149e-3 -8.6438e2 4.0354 2.5831e5
#	Range		0-350
	-Vm		6.0776 7.057 2.9786 -3.0706 0.4555
#	Extrapol	supcrt92
#	Ref		SK93
 
Mn+2 + Cl- = MnCl+
	-llnl_gamma	4.0    
	log_k		0.3013
	-delta_H	18.3134		kJ/mol
#	deltafH		-88.28		kcal/mol
	-analytic	8.7072e1 4.0361e-2 -2.1786e3 -3.6966e1 -3.4022e1
#	Range		0-350
	-Vm		7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 # APP14
#	Extrapol	supcrt92
#	Ref		SSH97

1.5 H2O + 1.25 O2 + Mn+2 = MnO4- + 3 H+
	-llnl_gamma	3.5    
	log_k		-20.2963
	-delta_H	123.112		kJ/mol
#	deltafH		-129.4		kcal/mol
	-analytic	1.8544e1 -1.7618e-2 -6.7332e3 -3.3193 -2.4924e5
#	Range		0-350
	-Vm		7.8248 11.3277 1.2912 -3.2472 0.9248
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88

SO4-2 + Mn+2 = MnSO4
	-llnl_gamma	3.0    
	log_k		2.3529
	-delta_H	14.1168		kJ/mol
#	deltafH		-266.75		kcal/mol
	-analytic	2.9448e2 8.5294e-2 -8.1366e3 -1.1729e2 -1.2705e2
#	Range		0-350
	-Vm		-1.31 -1.83 62.3 -2.7 # APP14
#	Extrapol	supcrt92
#	Ref		SSH97
 
2 CH3COOH + NH3 = NH4(CH3COO)2- + H+
	-llnl_gamma	4.0    
	log_k		-0.1928
	-delta_H	-56.735		kJ/mol
#	deltafH		-265.2		kcal/mol
	-analytic	3.7137e1 -1.2242e-2 -8.4764e3 -8.4308 1.3883e6
#	Range		0-350
	-Vm		19.3685 39.509 -9.7736 -4.4122 0.6495
#	Extrapol	supcrt92
#	Ref		SK93

NH3 + H+ = NH4+
	-llnl_gamma	2.5    
	log_k		9.2410
	-delta_H	-51.9234	kJ/mol
#	deltafH		-31.85		kcal/mol
	-analytic	-1.4527e1 -5.0518e-3 3.0447e3 6.0865 4.7515e1
#	Range		0-350
	-Vm		3.8763 2.3448 8.5605 -2.8759 0.1502
#	Extrapol	supcrt92
#	Ref		SH88

NH3 + CH3COOH = NH4CH3COO
	-llnl_gamma	3.0    
	log_k		4.6964
	-delta_H	-48.911		kJ/mol
#	deltafH		-147.23		kcal/mol
	-analytic	1.4104e1 -4.3664e-3 -1.0746e3 -3.6999 4.1428e5
#	Range		0-350
	-Vm		11.2849 19.7719 -2.0187 -3.5963 -0.03
#	Extrapol	supcrt92
#	Ref		SK93
 
2 CH3COOH + Na+ = Na(CH3COO)2- + 2 H+
	-llnl_gamma	4.0    
	log_k		-9.9989
	-delta_H	-11.5771	kJ/mol
#	deltafH		-292.4		kcal/mol
	-analytic	-2.9232e2 -5.5708e-2 9.6601e3 1.0772e2 1.5082e2
#	Range		0-350
	-Vm		16.2062 31.7884 -6.7416 -4.0930 0.9633
#	Extrapol	supcrt92
#	Ref		SK93

Na+ + CH3COOH = NaCH3COO + H+
	-llnl_gamma	3.0    
	log_k		-4.8606
	-delta_H	-0.029288	kJ/mol
#	deltafH		-173.54		kcal/mol
	-analytic	6.4833 -1.8739e-3 -2.0902e3 -2.6121 2.3990e5
#	Range		0-350
	-Vm		8.3514 12.6125 0.7884 -3.3003 -0.03
#	Extrapol	supcrt92
#	Ref		SK93

Na+ + Cl- = NaCl
	-llnl_gamma	3.0    
	log_k		-0.777
	-delta_H	5.21326		kJ/mol
#	deltafH		-96.12		kcal/mol
	-analytic	1.1398e2 3.6386e-2 -3.0847e3 -4.6571e1 -4.8167e1
#	Range		0-350
	-Vm		5.0364 4.5189 3.9669 -2.9658 -0.038
#	Extrapol	supcrt92
#	Ref		SSH97

SiO2 + Na+ + H2O = NaHSiO3 + H+
	-llnl_gamma	3.0    
	log_k		-8.304
	-delta_H	11.6524		kJ/mol
#	deltafH		-332.74		kcal/mol
	-analytic	3.6045e1 -9.0411e-3 -6.6605e3 -1.0447e1 5.8415e5
#	Range		0-350
	-Vm		3.4928 0.75 5.4483 -2.8100 -0.038
#	Extrapol	supcrt92
#	Ref		SSH97

Na+ + H2O = NaOH + H+
	-llnl_gamma	3.0    
	log_k		-14.7948
	-delta_H	53.6514		kJ/mol
#	deltafH		-112.927	kcal/mol
	-analytic	8.7326e1 2.3555e-2 -5.4770e3 -3.6678e1 -8.5489e1
#	Range		0-350
	-Vm		2.2338 -2.3287 6.6683 -2.6826 -0.03
#	Extrapol	supcrt92
#	Ref		SSW+97, 95pok/hel match

2 CH3COOH + Ni+2 = Ni(CH3COO)2 + 2 H+
	-llnl_gamma	3.0    
	log_k		-7.1908
	-delta_H	-25.8571	kJ/mol
#	deltafH		-251.28		kcal/mol
	-analytic	-2.9660e1 1.0643e-3 -1.0060e3 7.9358 5.2562e5
#	Range		0-350
	-Vm		11.1327 19.4031 -1.8801 -3.5810 -0.03
#	Extrapol	supcrt92
#	Ref		SK93

3 CH3COOH + Ni+2 = Ni(CH3COO)3- + 3 H+
	-llnl_gamma	4.0    
	log_k		-11.3543
	-delta_H	-53.6807	kJ/mol
#	deltafH		-374.03		kcal/mol
	-analytic	5.0850e1 -8.2435e-3 -1.3049e4 -1.5410e1 1.9704e6
#	Range		0-350
	-Vm		19.5212 39.8827 -9.9226 -4.4277 0.1603
#	Extrapol	supcrt92
#	Ref		SK93

Ni+2 + CH3COOH = NiCH3COO+ + H+
	-llnl_gamma	4.0    
	log_k		-3.3278
	-delta_H	-10.2508	kJ/mol
#	deltafH		-131.45		kcal/mol
	-analytic	-3.3110 1.6895e-3 -1.0556e3 2.7168e-2 2.6350e5
#	Range		0-350
	-Vm		4.3556 2.8512 4.6343 -2.8968 0.7287
#	Extrapol	supcrt92
#	Ref		SK93

Ni+2 + Cl- = NiCl+
	-llnl_gamma	4.0    
	log_k		-0.9962
	-delta_H	5.99567		kJ/mol
#	deltafH		-51.4		kcal/mol
	-analytic	9.5370e1 3.8521e-2 -2.1746e3 -4.0629e1 -3.3961e1
#	Range		0-350
	-Vm		1.1319 -5.0147 7.714 -2.5716 0.8111
#	Extrapol	supcrt92
#	Ref		SSH97

H2O = OH- + H+
	-llnl_gamma	3.5    
	log_k		-13.9951
	-delta_H	55.8146		kJ/mol
#	deltafH		-54.977		kcal/mol
	-analytic	-6.7506e1 -3.0619e-2 -1.9901e3 2.8004e1 -3.1033e1
#	Range		0-350
	-Vm		-9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 # APP14
#	Extrapol	supcrt92
#	Ref		SH88

2 HPO4-2 = P2O7-4 + H2O
	-llnl_gamma	4.0    
	log_k		-3.7463
	-delta_H	27.2256		kJ/mol
#	deltafH		-2271.1		kJ/mol
	-analytic	4.0885e2 1.3243e-1 -1.1373e4 -1.6727e2 -1.7758e2
#	Range		0-350
	-Vm		7.0687 9.4773 2.0273 -3.1707 6.9069
#	Extrapol	supcrt92, 64cri/cob
#	Ref		SSW+97, WEP+82 differ by 0.1 log K at 0C, 7 log K at 350C !! flag
 
HPO4-2 = PO4-3 + H+
	-llnl_gamma	4.0    
	log_k		-12.3218
	-delta_H	14.7068		kJ/mol
#	deltafH		-305.3		kcal/mol
	-analytic	-7.6170e1 -3.3574e-2 1.3405e2 2.9658e1 2.1140
#	Range		0-350
	-Vm		-0.5258 -9.0576 9.2927 -2.4045 5.61140
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88
 
2 H+ + 2 SO3-2 = S2O5-2 + H2O
	-llnl_gamma	4.0    
	log_k		9.5934
#	deltafH		-0		kcal/mol
	-analytic	0.12262e3 0.62883e-1 -0.18005e4 -0.50798e2 -0.28132e2
#	Range		0-350
	-Vm		7.3618 10.1945 1.7414 -3.2003 2.8343 # SSW+97
#	Extrapol	supcrt92
#	Ref		SSW+97, SH88

2 H+ + SO3-2 = SO2 + H2O
	-llnl_gamma	3.0    
	log_k		9.0656
	-delta_H	26.7316		kJ/mol
#	deltafH		-77.194		kcal/mol
	-analytic	9.4048e1 6.2127e-2 -1.1072e3 -4.0310e1 -1.7305e1
#	Range		0-350
	-Vm		6.9502 9.189 2.1383 -3.1589 -0.0559
#	Extrapol	supcrt92
#	Ref		SHS89

2 CH3COOH + Sc+3 = Sc(CH3COO)2+ + 2 H+
	-llnl_gamma	4.0    
	log_k		-3.7237
	-delta_H	-43.1789	kJ/mol
#	deltafH		-389.32		kcal/mol
	-analytic	-4.1862e1 -3.9443e-5 2.1444e2 1.2616e1 5.5442e5
#	Range		0-350
	-Vm		9.2794 14.8737 -0.0899 -3.3938 0.9706
#	Extrapol	supcrt92
#	Ref		SK93

3 CH3COOH + Sc+3 = Sc(CH3COO)3 + 3 H+
	-llnl_gamma	3.0    
	log_k		-6.6777
	-delta_H	-70.0402	kJ/mol
#	deltafH		-511.84		kcal/mol
	-analytic	-5.2525e1 1.6181e-3 7.5022e2 1.3988e1 7.3540e5
#	Range		0-350
	-Vm		16.5277 32.5748 -7.0539 -4.1255 -0.03
#	Extrapol	supcrt92
#	Ref		SK93

Sc+3 + CH3COOH = ScCH3COO+2 + H+
	-llnl_gamma	4.5    
	log_k		-1.4294
	-delta_H	-21.7568	kJ/mol
#	deltafH		-268.1		kcal/mol
	-analytic	-2.3400e1 1.3144e-4 1.1125e2 7.3527 3.0025e5
#	Range		0-350
	-Vm		2.7175 -1.1437 6.1937 -2.7316 1.7013
#	Extrapol	supcrt92
#	Ref		SK93

2 CH3COOH + Sm+3 = Sm(CH3COO)2+ + 2 H+
	-llnl_gamma	4.0    
	log_k		-4.7132
	-delta_H	-25.5224	kJ/mol
#	deltafH		-403.5		kcal/mol
	-analytic	-1.4192e1 2.1732e-3 -1.0267e3 2.9516 4.4389e5
#	Range		0-350
	-Vm		9.159 14.5839 0.0138 -3.3818 0.6644
#	Extrapol	supcrt92
#	Ref		SK93

3 CH3COOH + Sm+3 = Sm(CH3COO)3 + 3 H+
	-llnl_gamma	3.0    
	log_k		-7.8798
	-delta_H	-43.5554	kJ/mol
#	deltafH		-523.91		kcal/mol
	-analytic	-2.0765e1 1.1047e-3 -5.1181e2 3.4797 5.0618e5
#	Range		0-350
	-Vm		16.5088 32.5307 -7.0412 -4.1237 -0.03
#	Extrapol	supcrt92
#	Ref		SK93
 
Sm+3 + CH3COOH = SmCH3COO+2 + H+
	-llnl_gamma	4.5    
	log_k		-1.9205
	-delta_H	-13.598		kJ/mol
#	deltafH		-284.55		kcal/mol
	-analytic	-1.1734e1 1.0889e-3 -5.1061e2 3.3317 2.6395e5
#	Range		0-350
	-Vm		2.6264 -1.3667 6.2827 -2.7224 1.4769
#	Extrapol	supcrt92
#	Ref		SK93

Sm+3 + HCO3- = SmCO3+ + H+
	-llnl_gamma	4.0    
	log_k		-2.479
	-delta_H	89.1108		kJ/mol
#	deltafH		-308.8		kcal/mol # OBIGT: -331.34 kcal/mol HSS95
	-analytic	2.3486e2 5.3703e-2 -7.0193e3 -9.2863e1 -1.0960e2
#	Range		0-350
	-Vm		-1.0455 -10.3293 9.798 -2.3519 1.1907
#	Extrapol	supcrt92
#	Ref		HSS95

Sm+3 + Cl- = SmCl+2
	-llnl_gamma	4.5    
	log_k		0.3086
	-delta_H	14.3637		kJ/mol
#	deltafH		-201.7		kcal/mol
	-analytic	9.4972e1 3.9428e-2 -2.4198e3 -3.9718e1 -3.7787e1
#	Range		0-350
	-Vm		-0.5006 -8.9988 9.2743 -2.4069 1.4192
#	Extrapol	supcrt92
#	Ref		HSS95

2 Cl- + Sm+3 = SmCl2+
	-llnl_gamma	4.0    
	log_k		-0.0425
	-delta_H	19.9409		kJ/mol
#	deltafH		-240.3		kcal/mol
	-analytic	2.5872e2 8.4154e-2 -7.2061e3 -1.0493e2 -1.1252e2
#	Range		0-350
	-Vm		2.5888 -1.4617 6.3276 -2.7185 0.6644
#	Extrapol	supcrt92
#	Ref		HSS95

3 Cl- + Sm+3 = SmCl3
	-llnl_gamma	3.0    
	log_k		-0.3936
	-delta_H	13.803		kJ/mol
#	deltafH		-281.7		kcal/mol
	-analytic	4.9535e2 1.3520e-1 -1.4325e4 -1.9720e2 -2.2367e2
#	Range		0-350
	-Vm		6.0808 7.0673 2.9692 -3.0711 -0.03
#	Extrapol	supcrt92
#	Ref		HSS95

4 Cl- + Sm+3 = SmCl4-
	-llnl_gamma	4.0    
	log_k		-0.818
	-delta_H	-5.30531	kJ/mol
#	deltafH		-326.2		kcal/mol
	-analytic	6.0562e2 1.4212e-1 -1.7982e4 -2.3782e2 -2.8077e2
#	Range		0-350
	-Vm		10.8148 18.6261 -1.5732 -3.5489 1.6917
#	Extrapol	supcrt92
#	Ref		HSS95

Sm+3 + HPO4-2 + H+ = SmH2PO4+2
	-llnl_gamma	4.5    
	log_k		9.4484
	-delta_H	-15.8364	kJ/mol
#	deltafH		-477.8		kcal/mol
	-analytic	1.2451e2 6.4959e-2 -3.9576e2 -5.3772e1 -6.2124
#	Range		0-350
	-Vm		1.3708 -4.4295 7.4801 -2.5958 1.4867
#	Extrapol	supcrt92
#	Ref		HSS95

Sm+3 + HCO3- = SmHCO3+2
	-llnl_gamma	4.5    
	log_k		1.7724
	-delta_H	9.19643		kJ/mol
#	deltafH		-327.9		kcal/mol
	-analytic	5.5520e1 3.3265e-2 -7.3142e2 -2.4727e1 -1.1430e1
#	Range		0-350
	-Vm		0.3694 -6.8727 8.4365 -2.4948 1.2366
#	Extrapol	supcrt92
#	Ref		HSS95

Sm+3 + NO3- = SmNO3+2
	-llnl_gamma	4.5    
	log_k		0.8012
	-delta_H	-29.1667	kJ/mol
#	deltafH		-221.6		kcal/mol
	-analytic	3.3782e1 2.7125e-2 1.5091e3 -1.8632e1 2.3537e1
#	Range		0-350
	-Vm		1.0908 -5.1124 7.7478 -2.5676 1.5897
#	Extrapol	supcrt92
#	Ref		HSS95

Sm+3 + H2O = SmO+ + 2 H+
	-llnl_gamma	4.0    
	log_k		-16.4837
	-delta_H	113.039		kJ/mol
#	deltafH		-206.5		kcal/mol # OBIGT: -197.63 kcal/mol HSS95
	-analytic	1.8554e2 3.0198e-2 -1.3791e4 -6.6588e1 -2.1526e2
#	Range		0-350
	-Vm		2.8115 -0.9157 6.1076 -2.741 0.3837
#	Extrapol	supcrt92
#	Ref		HSS95

2 H2O + Sm+3 = SmO2- + 4 H+
	-llnl_gamma	4.0    
	log_k		-35.0197
	-delta_H	285.909		kJ/mol
#	deltafH		-233.5		kcal/mol # OBIGT: -238.22 kcal/mol HSS95
	-analytic	1.3508e1 -8.3384e-3 -1.0325e4 -1.5506 -6.7392e5
#	Range		0-350
	-Vm		4.9642 4.3393 4.0456 -2.9583 1.0848
#	Extrapol	supcrt92
#	Ref		HSS95

2 H2O + Sm+3 = SmO2H + 3 H+
	-llnl_gamma	3.0    
	log_k		-25.9304
	-delta_H	226.497		kJ/mol
#	deltafH		-247.7		kcal/mol
	-analytic	3.6882e2 5.3761e-2 -2.4317e4 -1.3305e2 -3.7956e2
#	Range		0-350
	-Vm		4.9296 4.2552 4.0768 -2.9548 -0.03
#	Extrapol	supcrt92
#	Ref		HSS95

Sm+3 + H2O = SmOH+2 + H+
	-llnl_gamma	4.5    
	log_k		-7.9808
	-delta_H	79.1487		kJ/mol
#	deltafH		-214.6		kcal/mol # OBIGT: -213.97 kcal/mol HSS95
	-analytic	6.3793e1 1.1977e-2 -6.0852e3 -2.2198e1 -9.4972e1
#	Range		0-350
	-Vm		2.7076 -1.1676 6.2027 -2.7306 1.1289
#	Extrapol	supcrt92
#	Ref		HSS95

Sm+3 + SO4-2 = SmSO4+
	-llnl_gamma	4.0    
	log_k		3.6430
	-delta_H	20.0832		kJ/mol
#	deltafH		-377.8		kcal/mol
	-analytic	3.0597e2 8.6258e-2 -9.0231e3 -1.2032e2 -1.4089e2
#	Range		0-350
	-Vm		-1.3885 -4.3882 7.4678 -2.5975 0.7483
#	Extrapol	supcrt92
#	Ref		HSS95
 
UO2+2 + H2O = UO2OH+ + H+
	-llnl_gamma	4.0    
	log_k		-5.2073
	-delta_H	43.1813		kJ/mol
#	deltafH		-1261.66	kJ/mol
	-analytic	3.4387e1 6.0811e-3 -3.3068e3 -1.2252e1 -5.1609e1
#	Range		0-350
	-Vm		4.764 3.8529 4.2318 -2.9382 0.4925 # SSB97
#	Extrapol	supcrt92, 64cri/cob
#	Ref		SSW+97, 92gre/fug match

2 CH3COOH + Zn+2 = Zn(CH3COO)2 + 2 H+
	-llnl_gamma	3.0    
	log_k		-6.062
	-delta_H	-11.0458	kJ/mol
#	deltafH		-271.5		kcal/mol
	-analytic	-2.2038e1 2.6133e-3 -2.7652e3 6.8501 6.7086e5
#	Range		0-350
	-Vm		11.7443 20.8978 -2.4707 -3.6429 -0.038
#	Extrapol	supcrt92
#	Ref		SSH97, SK93

3 CH3COOH + Zn+2 = Zn(CH3COO)3- + 3 H+
	-llnl_gamma	4.0    
	log_k		-10.0715
	-delta_H	25.355		kJ/mol
#	deltafH		-378.9		kcal/mol
	-analytic	3.5104e1 -6.1568e-3 -1.3379e4 -8.7697 2.0670e6
#	Range		0-350
	-Vm		20.0332 41.1373 -10.4257 -4.4796 1.2513
#	Extrapol	supcrt92
#	Ref		SSH97, SK93
   
Zn+2 + CH3COOH = ZnCH3COO+ + H+
	-llnl_gamma	4.0    
	log_k		-3.1519
	-delta_H	-9.87424	kJ/mol
#	deltafH		-155.12		kcal/mol
	-analytic	-7.9367 2.8564e-3 -1.4514e3 2.5010 2.3343e5
#	Range		0-350
	-Vm		4.8484 4.06 4.1473 -2.9468 0.41
#	Extrapol	supcrt92
#	Ref		SSH97, SK93
 
Zn+2 + Cl- = ZnCl+
	-llnl_gamma	4.0    
	log_k		0.1986
	-delta_H	43.317		kJ/mol
#	deltafH		-66.24		kcal/mol
	-analytic	1.1235e2 4.4461e-2 -4.1662e3 -4.5023e1 -6.5042e1
#	Range		0-350
	-Vm		14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 # APP14
#	Extrapol	supcrt92
#	Ref		SSH97

2 Cl- + Zn+2 = ZnCl2
	-llnl_gamma	3.0    
	log_k		0.2507
	-delta_H	31.1541		kJ/mol
#	deltafH		-109.08		kcal/mol
	-analytic	1.7824e2 7.5733e-2 -4.6251e3 -7.4770e1 -7.2224e1
#	Range		0-350
	-Vm		-10.1 4.57 241 -2.97 -1e-3 # APP14
#	Extrapol	supcrt92
#	Ref		SSH97

3 Cl- + Zn+2 = ZnCl3-
	-llnl_gamma	4.0    
	log_k		-0.0198
	-delta_H	22.5894		kJ/mol
#	deltafH		-151.06		kcal/mol
	-analytic	1.3889e2 7.4712e-2 -2.1527e3 -6.2200e1 -3.3633e1
#	Range		0-350
	-Vm		0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 # APP14
#	Extrapol	supcrt92
#	Ref		SSH97

4 Cl- + Zn+2 = ZnCl4-2
	-llnl_gamma	4.0    
	log_k		0.8605
	-delta_H	4.98733		kJ/mol
#	deltafH		-195.2		kcal/mol
	-analytic	8.4294e1 7.0021e-2 3.9150e2 -4.2664e1 6.0834
#	Range		0-300
	-Vm		28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 # APP14
#	Extrapol	supcrt92
#	Ref		SSH97?
 
Zn+2 + H2O = ZnOH+ + H+
	-llnl_gamma	4.0    
	log_k		-8.96
#	deltafH		-0		kcal/mol
	-analytic	-7.8600e-1 -2.9499e-4 -2.8673e3 6.1892e-1 -4.2576e1
#	Range		25-300
	-Vm		1.1499 -4.9677 7.6896 -2.5735 0.326
#	Extrapol	supcrt92, ?
#	Ref		SSW+97, 87bou/bar differ by 0.8 log K at 0C, 2.7 log K at 300C
 
Zn+2 + SO4-2 = ZnSO4
	-llnl_gamma	3.0    
	log_k		2.3062
	-delta_H	15.277		kJ/mol
#	deltafH		-1047.71	kJ/mol
	-analytic	1.3640e2 5.1256e-2 -3.4422e3 -5.5695e1 -5.8501e1
#	Range		0-200
	-Vm		2.51 0 18.8 # APP14
#	Extrapol	69hel
#	Ref		WEP+82

#---------------------------
# carbfix.dat additions and changes
#---------------------------

HS- + H+ = H2S
	-llnl_gamma	3.0
	log_k		6.97791 # SS97
	-analytic	-782.43945 -0.361261 20565.7315 328.67496 0 1.6722e-4 # SS97
	-Vm		7.81 2.96 -0.46 # phreeqc.dat

2 H2O + Al+3 = Al(OH)2+ + 2 H+
	-llnl_gamma	4.0
	log_k		-10.5945 # llnl.dat
	-analytic	4.4036e+001 2.0168e-002 -5.5455e+003 -1.6987e+001 -8.6545e+001 # llnl.dat
	-Vm			2.1705 -2.4811 6.7241 -2.6763 0.95700 0 0 0 0 0 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16

Al+3 + SiO2 + 2 H2O = AlH3SiO4+2 + H+
	-llnl_gamma	4.5
	log_k		-2.38 # P+96
	-analytic	5.241793953846094 0.005624769230769303 -2772.442855034987 0 0 0 # P+96
	-Vm			0.16 -7.23 8.61 -2.4800 0.88000 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16

SO4-2 + Al+3 = AlSO4+
	-llnl_gamma	4.0
	log_k		3.17527 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-6034.286233487146 -2.009118445366823 225586.09598339273 2388.3098402377414 -8.473342720127227e6 0.000736431615071334 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			1.833 -3.3057 7.0494 -2.6423 2.4143 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16

4 H2O + Na+ + Al+3 = NaAl(OH)4 + 4 H+
	-llnl_gamma	3.0
	log_k		-22.9 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-319.6003434647659 -0.1452549158200939 2048.487394301387 134.79387929123214 -579779.0987586592 0.00006885771169878286 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			9.1267 14.3411 0.1121 -3.3719 0 # TS01 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16

Mg+2 + CO3-2 = MgCO3
	-llnl_gamma	3.0
	log_k		3.01 # SBS14
	-analytic	5.5093 -0.00017143 -734.208 0 0 0 # SBS14
	-Vm			-0.7355 -9.5745 9.5062 -2.3831 -0.038 # SSH97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16

Mg+2 + HCO3- = MgHCO3+
	-llnl_gamma	4.0
	log_k		1.10 # SBS14
	-analytic	-8.8935 0.01694 1474.786 0 0 0 # SBS14
	-Vm			3.271 0.206 5.669 -2.7880 0.59900 # SK95 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16

Na+ + CO3-2 = NaCO3-
	-llnl_gamma	4.0
	log_k		1.01 # SBS13
	-analytic	4.1659 0 -941.150 0 0 0 # SBS13
	-Vm			7.642732 2.993503 2.328077 -2.902751 1.507948 # DEW17 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16

Na+ + HCO3- = NaHCO3
	-llnl_gamma	3.0
	log_k		-0.18 # SBS13
	-analytic	1.8528 0 -606.240 0 0 0 # SBS13
	-Vm			0.431 # APP14

HCO3- + Ca+2 = CaHCO3+
	-llnl_gamma	4.0
	log_k		1.0467 # llnl.dat
	-analytic	5.5985e+001 3.4639e-002 -3.6972e+002 -2.5864e+001 -5.7859e+000 # llnl.dat
	-Vm			3.706 1.267 5.252 -2.8310 0.30800 # SK95 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16

Na+ + SO4-2 = NaSO4-
	-llnl_gamma	4.0
	log_k		0.702779 # MS97 + CHNOSZ/OBIGT/SUPCRTBL - D08
	-analytic	-1515.4130255698833 -0.5496881710640973 53009.74446438346 607.5403646933713 -1.7958467164664706e6 0.00021478523226344507 # MS97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			1e-5 16.4 -0.0678 -1.05 4.14 0 6.86 0 0.0242 0.53 # APP14

Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+
	-llnl_gamma	4.0
	log_k		-5.6502 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-311.3248470052558 -0.1252808696431922 9665.364708433648 127.49811415837463 -849396.8730633351 0.00005263379396466626 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			-3.7118 -16.8408 12.3595 -2.0827 0.7191 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16

Fe+3 + 3 H2O = Fe(OH)3 + 3 H+
	-llnl_gamma	3.0
	log_k		-12.0185 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-741.3725966104283 -0.26505708328056 26205.378230673232 296.5340355414264 -1.972081032472368e6 0.00010032479998977653 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			2.7401 -1.0905 6.1776 -2.7338 -0.03 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16

Fe+3 + 4 H2O = Fe(OH)4- + 4 H+
	-llnl_gamma	4.0
	log_k		-21.6225 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	1533.5014901840032 0.45075510400897445 -69859.23735739749 -593.4694075764281 2.3641904800567343e6 -0.00014964010950998835 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			2.3837 -1.9602 6.5182 -2.6979 1.4662 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16

2 H2O + Fe+2 = Fe(OH)2 + 2 H+
	-llnl_gamma	3.0
	log_k		-20.4049 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-325.1339790725869 -0.1345716716871417 5315.653600095374 132.16984714439332 -459607.68923879805 0.000057906348553908315 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			-0.5029 -9.0053 9.2791 -2.4066 -0.03 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16

3 H2O + Fe+2 = Fe(OH)3- + 3 H+
	-llnl_gamma	4.0
	log_k		-29.208 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	1906.044327275795 0.5662477247894362 -88119.68431429783 -741.1535184277503 3.7592690582787376e6 -0.0001898657106678743 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			0.6272 -6.244 8.1905 -2.5208 1.8564 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16

H+ + ClO- = HClO
	-llnl_gamma	3.0
	log_k		7.55236 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-2041.6086043936152 -0.6683042462929405 80422.12116400951 805.7772200117705 -3.2667035060825506e6 0.00024280864184851264 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			5.5927 5.8751 3.4387 -3.0218 -0.1734 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16

H+ + ClO2- = HClO2
	-llnl_gamma	3.0
	log_k		1.98189 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-2249.8186120868168 -0.7355468012526403 86690.01133768198 887.6588357902062 -3.5397309172713878e6 0.00026672471518723433 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			7.6706 10.9455 1.4527 -3.2314 -0.3415 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16

H+ + S2O3-- = HS2O3-
	-llnl_gamma	4.0
	log_k		1.68836 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-1611.0948316547294 -0.5495686401519247 59194.43018784251 640.1240524484979 -2.166923306383505e6 0.00020844502892650532 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			6.1964 7.351 2.8549 -3.0828 1.1676 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16

K+ + H2O = KOH + H+
	-llnl_gamma	3.0
	log_k		-14.4386 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-477.55011247018905 -0.1442523288404146 18222.588641689916 183.69951482387626 -1.2139398662316576e6 0.0000461802984447927 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			3.7938 1.4839 5.1619 -2.8402 -0.03 # SSW+97 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16



#---------------------------
# 66 other aqueous species
#---------------------------
H2O +  Ba+2 +  B(OH)3  =  BaB(OH)4+ + H+
        -llnl_gamma           4.0    
        log_k           -7.8012
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaB(OH)4+
#	Enthalpy of formation:	-0 kcal/mol
 
  HCO3- +  Ba+2  =  BaCO3 + H+
        -llnl_gamma           3.0    
        log_k           -7.6834
	-delta_H	31.5808	kJ/mol	# Calculated enthalpy of reaction	BaCO3
#	Enthalpy of formation:	-285.85 kcal/mol
        -analytic 2.1878e+002 5.2368e-002 -8.2472e+003 -8.6644e+001 -1.2875e+002
#       -Range:  0-300

 Cl- +  Ba+2  =  BaCl+
        -llnl_gamma           4.0    
        log_k           -0.4977
	-delta_H	11.142	kJ/mol	# Calculated enthalpy of reaction	BaCl+
#	Enthalpy of formation:	-165.77 kcal/mol
        -analytic 1.1016e+002 4.2325e-002 -2.8039e+003 -4.6010e+001 -4.3785e+001
#       -Range:  0-300

 F- +  Ba+2  =  BaF+
        -llnl_gamma           4.0    
        log_k           -0.1833
	-delta_H	8.95376	kJ/mol	# Calculated enthalpy of reaction	BaF+
#	Enthalpy of formation:	-206.51 kcal/mol
        -analytic 1.0349e+002 4.0336e-002 -2.5195e+003 -4.3334e+001 -3.9346e+001
#       -Range:  0-300

 NO3- +  Ba+2  =  BaNO3+
        -llnl_gamma           4.0    
        log_k           +0.9
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaNO3+
#	Enthalpy of formation:	-0 kcal/mol
 
 H2O +  Ba+2  =  BaOH+ + H+
        -llnl_gamma           4.0    
        log_k           -13.47
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	BaOH+
#	Enthalpy of formation:	-0 kcal/mol


Ce+3 + 0.5 H2O  =  Ce+2 + H+ +0.25 O2 
        -llnl_gamma           4.5    
        log_k           -83.6754
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce+2
#	Enthalpy of formation:	-0 kcal/mol
 
H+ +  Ce+3 + 0.25 O2  =  Ce+4 +0.5 H2O 
        -llnl_gamma           5.5    
        log_k           -7.9154
	-delta_H	0	      	# Not possible to ca
	
2.0 HCO3- +  Ce+3  =  Ce(CO3)2- +2.0 H+
        -llnl_gamma           4.0    
        log_k           -8.1576
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(CO3)2-
#	Enthalpy of formation:	-0 kcal/mol
 
2.0 HPO4-2 +  Ce+3  =  Ce(HPO4)2-
        -llnl_gamma           4.0    
        log_k           +8.7000
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(HPO4)2-
#	Enthalpy of formation:	-0 kcal/mol
 
2.0 H2O +  Ce+4  =  Ce(OH)2+2 +2.0 H+
        -llnl_gamma           4.5    
        log_k           +2.0098
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(OH)2+2
#	Enthalpy of formation:	-0 kcal/mol
 
2.0 HPO4-2 +  Ce+3  =  Ce(PO4)2-3 +2.0 H+
        -llnl_gamma           4.0    
        log_k           -6.1437
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce(PO4)2-3
#	Enthalpy of formation:	-0 kcal/mol
 
2.0 H2O + 2.0 Ce+4  =  Ce2(OH)2+6 +2.0 H+
        -llnl_gamma           6.0    
        log_k           +3.0098
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce2(OH)2+6
#	Enthalpy of formation:	-0 kcal/mol
 
5.0 H2O + 3.0 Ce+3  =  Ce3(OH)5+4 +5.0 H+
        -llnl_gamma           5.5    
        log_k           -33.4754
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Ce3(OH)5+4
#	Enthalpy of formation:	-0 kcal/mol

HCO3- +  Ce+3  =  CeCO3+ + H+
        -llnl_gamma           4.0    
        log_k           -2.9284
	-delta_H	93.345	kJ/mol	# Calculated enthalpy of reaction	CeCO3+
#	Enthalpy of formation:	-309.988 kcal/mol
        -analytic 2.3292e+002 5.3153e-002 -7.1180e+003 -9.2061e+001 -1.1114e+002
#       -Range:  0-300

Cl- +  Ce+3  =  CeCl+2
        -llnl_gamma           4.5    
        log_k           +0.3086
	-delta_H	14.7821	kJ/mol	# Calculated enthalpy of reaction	CeCl+2
#	Enthalpy of formation:	-203.8 kcal/mol
        -analytic 8.3534e+001 3.8166e-002 -2.0058e+003 -3.5504e+001 -3.1324e+001
#       -Range:  0-300

2.0 Cl- +  Ce+3  =  CeCl2+
        -llnl_gamma           4.0    
        log_k           +0.0308
	-delta_H	20.7777	kJ/mol	# Calculated enthalpy of reaction	CeCl2+
#	Enthalpy of formation:	-242.3 kcal/mol
        -analytic 2.3011e+002 8.1428e-002 -6.1292e+003 -9.4468e+001 -9.5708e+001
#       -Range:  0-300

3.0 Cl- +  Ce+3  =  CeCl3
        -llnl_gamma           3.0    
        log_k           -0.3936
	-delta_H	15.4766	kJ/mol	# Calculated enthalpy of reaction	CeCl3
#	Enthalpy of formation:	-283.5 kcal/mol
        -analytic 4.4073e+002 1.2994e-001 -1.2308e+004 -1.7722e+002 -1.9218e+002
#       -Range:  0-300

4.0 Cl- +  Ce+3  =  CeCl4-
        -llnl_gamma           4.0    
        log_k           -0.7447
	-delta_H	-1.95811	kJ/mol	# Calculated enthalpy of reaction	CeCl4-
#	Enthalpy of formation:	-327.6 kcal/mol
        -analytic 5.2230e+002 1.3490e-001 -1.4859e+004 -2.0747e+002 -2.3201e+002
#       -Range:  0-300

ClO4- +  Ce+3  =  CeClO4+2
        -llnl_gamma           4.5    
        log_k           +1.9102
	-delta_H	-49.0197	kJ/mol	# Calculated enthalpy of reaction	CeClO4+2
#	Enthalpy of formation:	-210.026 kcal/mol
        -analytic -1.3609e+001 1.8115e-002 3.9869e+003 -1.3033e+000 6.2215e+001
#       -Range:  0-300

F- +  Ce+3  =  CeF+2
        -llnl_gamma           4.5    
        log_k           +4.2221
	-delta_H	23.2212	kJ/mol	# Calculated enthalpy of reaction	CeF+2
#	Enthalpy of formation:	-242 kcal/mol
        -analytic 1.0303e+002 4.1730e-002 -2.8424e+003 -4.1094e+001 -4.4383e+001
#       -Range:  0-300

2.0 F- +  Ce+3  =  CeF2+
        -llnl_gamma           4.0    
        log_k           +7.2714
	-delta_H	15.0624	kJ/mol	# Calculated enthalpy of reaction	CeF2+
#	Enthalpy of formation:	-324.1 kcal/mol
        -analytic 2.5063e+002 8.5224e-002 -6.2219e+003 -1.0017e+002 -9.7160e+001
#       -Range:  0-300

3.0 F- +  Ce+3  =  CeF3
        -llnl_gamma           3.0    
        log_k           +9.5144
	-delta_H	-6.0668	kJ/mol	# Calculated enthalpy of reaction	CeF3
#	Enthalpy of formation:	-409.3 kcal/mol
        -analytic 4.6919e+002 1.3664e-001 -1.1745e+004 -1.8629e+002 -1.8340e+002
#       -Range:  0-300

4.0 F- +  Ce+3  =  CeF4-
        -llnl_gamma           4.0    
        log_k           +11.3909
	-delta_H	-45.6056	kJ/mol	# Calculated enthalpy of reaction	CeF4-
#	Enthalpy of formation:	-498.9 kcal/mol
        -analytic 5.3522e+002 1.3856e-001 -1.2722e+004 -2.1112e+002 -1.9868e+002
#       -Range:  0-300

HPO4-2 +  H+ +  Ce+3  =  CeH2PO4+2
        -llnl_gamma           4.5    
        log_k           +9.6684
	-delta_H	-16.2548	kJ/mol	# Calculated enthalpy of reaction	CeH2PO4+2
#	Enthalpy of formation:	-480.1 kcal/mol
        -analytic 1.1338e+002 6.3771e-002 5.2908e+001 -4.9649e+001 7.9189e-001
#       -Range:  0-300

HCO3- +  Ce+3  =  CeHCO3+2
        -llnl_gamma           4.5    
        log_k           +1.9190
	-delta_H	8.77803	kJ/mol	# Calculated enthalpy of reaction	CeHCO3+2
#	Enthalpy of formation:	-330.2 kcal/mol
        -analytic 4.4441e+001 3.2077e-002 -3.0714e+002 -2.0622e+001 -4.8060e+000
#       -Range:  0-300

HPO4-2 +  Ce+3  =  CeHPO4+
        -llnl_gamma           4.0    
        log_k           +5.2000
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeHPO4+
#	Enthalpy of formation:	-0 kcal/mol

NO3- +  Ce+3  =  CeNO3+2
        -llnl_gamma           4.5    
        log_k           +1.3143
	-delta_H	-26.6563	kJ/mol	# Calculated enthalpy of reaction	CeNO3+2
#	Enthalpy of formation:	-223.2 kcal/mol
        -analytic 2.2772e+001 2.5931e-002 1.9950e+003 -1.4490e+001 3.1124e+001
#       -Range:  0-300

H2O +  Ce+3  =  CeO+ +2.0 H+
        -llnl_gamma           4.0    
        log_k           -16.4103
	-delta_H	112.202	kJ/mol	# Calculated enthalpy of reaction	CeO+
#	Enthalpy of formation:	-208.9 kcal/mol
        -analytic 1.9881e+002 3.1302e-002 -1.4331e+004 -7.1323e+001 -2.2368e+002
#       -Range:  0-300

2.0 H2O +  Ce+3  =  CeO2- +4.0 H+
        -llnl_gamma           4.0    
        log_k           -38.758
	-delta_H	308.503	kJ/mol	# Calculated enthalpy of reaction	CeO2-
#	Enthalpy of formation:	-230.3 kcal/mol
        -analytic 1.0059e+002 3.4824e-003 -1.5873e+004 -3.3056e+001 -4.7656e+005
#       -Range:  0-300

2.0 H2O +  Ce+3  =  CeO2H +3.0 H+
        -llnl_gamma           3.0    
        log_k           -26.1503
	-delta_H	228.17	kJ/mol	# Calculated enthalpy of reaction	CeO2H
#	Enthalpy of formation:	-249.5 kcal/mol
        -analytic 3.5650e+002 4.6708e-002 -2.4320e+004 -1.2731e+002 -3.7959e+002
#       -Range:  0-300

H2O +  Ce+3  =  CeOH+2 + H+
        -llnl_gamma           4.5    
        log_k           -8.4206
	-delta_H	73.2911	kJ/mol	# Calculated enthalpy of reaction	CeOH+2
#	Enthalpy of formation:	-218.2 kcal/mol
        -analytic 7.5809e+001 1.2863e-002 -6.7244e+003 -2.6473e+001 -1.0495e+002
#       -Range:  0-300

H2O +  Ce+4  =  CeOH+3 + H+
        -llnl_gamma           5.0    
        log_k           +3.2049
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CeOH+3
#	Enthalpy of formation:	-0 kcal/mol
 
HPO4-2 +  Ce+3  =  CePO4 + H+
        -llnl_gamma           3.0    
        log_k           -0.9718
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	CePO4
#	Enthalpy of formation:	-0 kcal/mol
 
SO4-2 +  Ce+3  =  CeSO4+
        -llnl_gamma           4.0    
        log_k           -3.687
	-delta_H	19.2464	kJ/mol	# Calculated enthalpy of reaction	CeSO4+
#	Enthalpy of formation:	-380.2 kcal/mol
        -analytic 3.0156e+002 8.5149e-002 -1.1025e+004 -1.1866e+002 -1.7213e+002
#       -Range:  0-300	

2.0 H+ +  Pb+2 + 0.5 O2  =  Pb+4 + H2O 
        -llnl_gamma           5.5    
        log_k           -14.1802
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb+4
#	Enthalpy of formation:	-0 kcal/mol

2.0 HCO3- +  Pb+2  =  Pb(CO3)2-2 +2.0 H+
        -llnl_gamma           4.0    
        log_k           -11.2576
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(CO3)2-2
#	Enthalpy of formation:	-0 kcal/mol
 
2.0 ClO3- +  Pb+2  =  Pb(ClO3)2
        -llnl_gamma           3.0    
        log_k           -0.5133
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(ClO3)2
#	Enthalpy of formation:	-0 kcal/mol
 
2.0 H2O +  Pb+2  =  Pb(OH)2 +2.0 H+
        -llnl_gamma           3.0    
        log_k           -17.0902
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(OH)2
#	Enthalpy of formation:	-0 kcal/mol
 
3.0 H2O +  Pb+2  =  Pb(OH)3- +3.0 H+
        -llnl_gamma           4.0    
        log_k           -28.0852
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb(OH)3-
#	Enthalpy of formation:	-0 kcal/mol
 
2.0 Pb+2 +  H2O  =  Pb2OH+3 + H+
        -llnl_gamma           5.0    
        log_k           -6.3951
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb2OH+3
#	Enthalpy of formation:	-0 kcal/mol
 
4.0 H2O + 3.0 Pb+2  =  Pb3(OH)4+2 +4.0 H+
        -llnl_gamma           4.5    
        log_k           -23.8803
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb3(OH)4+2
#	Enthalpy of formation:	-0 kcal/mol
 
4.0 Pb+2 + 4.0 H2O  =  Pb4(OH)4+4 +4.0 H+
        -llnl_gamma           5.5    
        log_k           -20.8803
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb4(OH)4+4
#	Enthalpy of formation:	-0 kcal/mol
 
8.0 H2O + 6.0 Pb+2  =  Pb6(OH)8+4 +8.0 H+
        -llnl_gamma           5.5    
        log_k           -43.5606
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pb6(OH)8+4
#	Enthalpy of formation:	-0 kcal/mol
 

 Pb+2 +  HCO3-  =  PbCO3 + H+
        -llnl_gamma           3.0    
        log_k           -3.7488
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbCO3
#	Enthalpy of formation:	-0 kcal/mol
 
 Pb+2 +  Cl-  =  PbCl+
        -llnl_gamma           4.0    
        log_k           +1.4374
	-delta_H	4.53127	kJ/mol	# Calculated enthalpy of reaction	PbCl+
#	Enthalpy of formation:	-38.63 kcal/mol
        -analytic 1.1948e+002 4.3527e-002 -2.7666e+003 -4.9190e+001 -4.3206e+001
#       -Range:  0-300

2.0 Cl- +  Pb+2  =  PbCl2
        -llnl_gamma           3.0    
        log_k           +2.0026
	-delta_H	8.14206	kJ/mol	# Calculated enthalpy of reaction	PbCl2
#	Enthalpy of formation:	-77.7 kcal/mol
        -analytic 2.2537e+002 7.7574e-002 -5.5112e+003 -9.2131e+001 -8.6064e+001
#       -Range:  0-300

3.0 Cl- +  Pb+2  =  PbCl3-
        -llnl_gamma           4.0    
        log_k           +1.6881
	-delta_H	7.86174	kJ/mol	# Calculated enthalpy of reaction	PbCl3-
#	Enthalpy of formation:	-117.7 kcal/mol
        -analytic 2.5254e+002 8.9159e-002 -6.0116e+003 -1.0395e+002 -9.3880e+001
#       -Range:  0-300

4.0 Cl- +  Pb+2  =  PbCl4-2
        -llnl_gamma           4.0    
        log_k           +1.4909
	-delta_H	-7.18811	kJ/mol	# Calculated enthalpy of reaction	PbCl4-2
#	Enthalpy of formation:	-161.23 kcal/mol
        -analytic 1.4048e+002 7.6332e-002 -1.1507e+003 -6.3786e+001 -1.7997e+001
#       -Range:  0-300

 Pb+2 +  ClO3-  =  PbClO3+
        -llnl_gamma           4.0    
        log_k           -0.2208
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbClO3+
#	Enthalpy of formation:	-0 kcal/mol
 
 Pb+2 +  F-  =  PbF+
        -llnl_gamma           4.0    
        log_k           +0.8284
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbF+
#	Enthalpy of formation:	-0 kcal/mol
 
2.0 F- +  Pb+2  =  PbF2
        -llnl_gamma           3.0    
        log_k           +1.6132
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbF2
#	Enthalpy of formation:	-0 kcal/mol
 
 Pb+2 +  HPO4-2 +  H+  =  PbH2PO4+
        -llnl_gamma           4.0    
        log_k           +1.5
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbH2PO4+
#	Enthalpy of formation:	-0 kcal/mol
 
 Pb+2 +  HPO4-2  =  PbHPO4
        -llnl_gamma           3.0    
        log_k           +3.1000
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbHPO4
#	Enthalpy of formation:	-0 kcal/mol
 
 Pb+2 +  NO3-  =  PbNO3+
        -llnl_gamma           4.0    
        log_k           +1.2271
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbNO3+
#	Enthalpy of formation:	-0 kcal/mol
 
 Pb+2 +  H2O  =  PbOH+ + H+
        -llnl_gamma           4.0    
        log_k           -7.6951
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbOH+
#	Enthalpy of formation:	-0 kcal/mol
 
2.0 HPO4-2 +  Pb+2  =  PbP2O7-2 + H2O
        -llnl_gamma           4.0    
        log_k           +7.4136
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	PbP2O7-2
#	Enthalpy of formation:	-0 kcal/mol

1.0 Sr+2 + 1.0 HCO3-  =  SrCO3 +1.0 H+
        -llnl_gamma           3.0    
        log_k           -7.4635
	-delta_H	33.2544	kJ/mol	# Calculated enthalpy of reaction	SrCO3
#	Enthalpy of formation:	-288.62 kcal/mol
        -analytic 2.2303e+002 5.2582e-002 -8.4861e+003 -8.7975e+001 -1.3248e+002
#       -Range:  0-300

1.0 Sr+2 + 1.0 Cl-  =  SrCl+
        -llnl_gamma           4.0    
        log_k           -0.2485
	-delta_H	7.58559	kJ/mol	# Calculated enthalpy of reaction	SrCl+
#	Enthalpy of formation:	-169.79 kcal/mol
        -analytic 9.4568e+001 3.9042e-002 -2.1458e+003 -4.0105e+001 -3.3511e+001
#       -Range:  0-300

1.0 Sr+2 + 1.0 F-  =  SrF+
        -llnl_gamma           4.0    
        log_k           +0.1393
	-delta_H	4.8116	kJ/mol	# Calculated enthalpy of reaction	SrF+
#	Enthalpy of formation:	-210.67 kcal/mol
        -analytic 9.0295e+001 3.7609e-002 -1.9012e+003 -3.8379e+001 -2.9693e+001
#       -Range:  0-300

1.0 Sr+2 + 1.0 HPO4-2 + 1.0 H+  =  SrH2PO4+
        -llnl_gamma           4.0    
        log_k           +0.7300
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrH2PO4+
#	Enthalpy of formation:	-0 kcal/mol
 
1.0 Sr+2 + 1.0 HPO4-2  =  SrHPO4
        -llnl_gamma           3.0    
        log_k           +2.0600
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrHPO4
#	Enthalpy of formation:	-0 kcal/mol
 
1.0 Sr+2 + 1.0 NO3-  =  SrNO3+
        -llnl_gamma           4.0    
        log_k           +0.8000
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrNO3+
#	Enthalpy of formation:	-0 kcal/mol
 
1.0 Sr+2 + 1.0 H2O  =  SrOH+ +1.0 H+
        -llnl_gamma           4.0    
        log_k           -13.29
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrOH+
#	Enthalpy of formation:	-0 kcal/mol
 
2.0 HPO4-2 + 1.0 Sr+2  =  SrP2O7-2 +1.0 H2O
        -llnl_gamma           4.0    
        log_k           +1.6537
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrP2O7-2
#	Enthalpy of formation:	-0 kcal/mol
 
1.0 Sr+2 + 1.0 SO4-2  =  SrSO4
        -llnl_gamma           3.0    
        log_k           +2.3000
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	SrSO4
#	Enthalpy of formation:	-0 kcal/mol



PHASES

#------------
# 375 solids 
#------------

[(6)(CB)(CB)S]
	S + O2 = SO2
	log_k		63.04
	-analytic	137.16 -0.320465 0 0 0 0.000241
#	Range		0-350
	-Vm		16.5
#	Extrapol	supcrt92
#	Ref		R01, calculations and fit by N17

[(aro)-O-(aro)]
	O = 0.5 O2
	log_k		-20.610681
	-delta_H	30.240		kcal/mol
	-analytic	-46.6 0.111 0 0 0 -7.99e-5
#	Range		0-350
	-Vm		-2.4
#	Extrapol	supcrt92
#	Ref		RH98

Afwillite
	Ca3Si2O4(OH)6 + 6 H+ = 2 SiO2 + 3 Ca+2 + 6 H2O
	log_k		60.0452
	-delta_H	-316.059	kJ/mol
#	deltafH		-1143.31	kcal/mol
	-analytic	1.8353e1 1.9014e-3 1.8478e4 -6.6311 -4.0227e5
#	Range		0-300
	-Vm		129.23 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		82sar/bar

Akermanite
	Ca2MgSi2O7 + 6 H+ = Mg+2 + 2 Ca+2 + 2 SiO2 + 3 H2O
	log_k		45.3190
	-delta_H	-288.575	kJ/mol
#	deltafH		-926.497	kcal/mol
	-analytic	-4.8295e1 -8.5613e-3 2.0880e4 1.3798e1 -7.1975e5
#	Range		0-350
	-Vm		92.81
#	Extrapol	supcrt92
#	Ref		HDN+78

Al
	Al + 3 H+ + 0.75 O2 = Al+3 + 1.5 H2O
	log_k		149.9292
	-delta_H	-958.059	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-1.8752e2 -4.6187e-2 5.7127e4 6.6270e1 -3.8952e5
#	Range		0-300
	-Vm		9.99 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		CWM89

Al2(SO4)3
	Al2(SO4)3 = 2 Al+3 + 3 SO4-2
	log_k		19.0535
	-delta_H	-364.566	kJ/mol
#	deltafH		-3441.04	kJ/mol
	-analytic	-6.1001e2 -2.4268e-1 2.9194e4 2.4383e2 4.5573e2
#	Range		0-300
	-Vm		126.25 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		RHF79

Alabandite
	MnS + H+ = HS- + Mn+2
	log_k		-0.3944
	-delta_H	-23.3216	kJ/mol
#	deltafH		-51		kcal/mol
	-analytic	-1.5515e2 -4.8820e-2 4.9049e3 6.1765e1 7.6583e1
#	Range		0-350
	-Vm		21.46
#	Extrapol	supcrt92
#	Ref		HDN+78

Albite
	NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
	log_k		2.7645
	-delta_H	-51.8523	kJ/mol
#	deltafH		-939.68		kcal/mol
	-analytic	-1.1694e1 1.4429e-2 1.3784e4 -7.2866 -1.6136e6
#	Range		0-350
	-Vm		100.25
#	Extrapol	supcrt92
#	Ref		HDN+78

Albite_high
	NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
	log_k		4.0832
	-delta_H	-62.8562	kJ/mol
#	deltafH		-937.05		kcal/mol
	-analytic	-1.8957e1 1.3726e-2 1.4801e4 -4.9732 -1.6442e6
#	Range		0-350
	-Vm		100.25
#	Extrapol	supcrt92
#	Ref		HDN+78

Albite_low
	NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2
	log_k		2.7645
	-delta_H	-51.8523	kJ/mol
#	deltafH		-939.68		kcal/mol
	-analytic	-1.2860e1 1.4481e-2 1.3913e4 -6.9417 -1.6256e6
#	Range		0-350
	-Vm		100.25
#	Extrapol	supcrt92
#	Ref		HDN+78

Alum-K
	KAl(SO4)2:12H2O = Al+3 + K+ + 2 SO4-2 + 12 H2O
	log_k		-4.8818
	-delta_H	14.4139		kJ/mol
#	deltafH		-1447		kcal/mol
	-analytic	-8.8025e2 -2.5706e-1 2.2399e4 3.5434e2 3.4978e2
#	Range		0-300
	-Vm		269.54 # Marion+09
#	Extrapol	Cp integration
#	Ref		73bar/kna 

Alunite
	KAl3(OH)6(SO4)2 + 6 H+ = K+ + 2 SO4-2 + 3 Al+3 + 6 H2O
	log_k	-0.3479
	-delta_H	-231.856	kJ/mol
#	deltafH		-1235.6		kcal/mol
	-analytic	-6.8581e2 -2.2455e-1 2.6886e4 2.6758e2 4.1973e2
#	Range		0-350
	-Vm		205.40 # thermo.com.V8.R6+.tdat
#	Extrapol	supcrt92
#	Ref		HDN+78

Amesite-14A
	Mg4Al4Si2O10(OH)8 + 20 H+ = 2 SiO2 + 4 Al+3 + 4 Mg+2 + 14 H2O
	log_k		75.4571
	-delta_H	-797.098	kJ/mol
#	deltafH		-2145.67	kcal/mol
	-analytic	-5.4326e2 -1.4144e-1 5.4150e4 1.9361e2 8.4512e2
#	Range		0-300
	-Vm		205.4
#	Extrapol	Cp integration
#	Ref		78wol

Andalusite
	Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
	log_k		15.9445
	-delta_H	-235.233	kJ/mol
#	deltafH		-615.866	kcal/mol
	-analytic	-7.1115e1 -3.2234e-2 1.2308e4 2.2357e1 1.9208e2
#	Range		0-350
	-Vm		51.53
#	Extrapol	supcrt92
#	Ref		HDN+78 differ by 1.6 log K at 0C, 0.5 log K at 350C

Andradite
	Ca3Fe2(SiO4)3 + 12 H+ = 2 Fe+3 + 3 Ca+2 + 3 SiO2 + 6 H2O
	log_k		33.3352
	-delta_H	-301.173	kJ/mol
#	deltafH		-1380.35	kcal/mol
	-analytic	1.3884e1 -2.3886e-2 1.5314e4 -8.1606 -4.2193e5
#	Range		0-350
	-Vm		131.85
#	Extrapol	supcrt92
#	Ref		HDN+78

Anhydrite
	CaSO4 = Ca+2 + SO4-2
	log_k		-4.3064
	-delta_H	-18.577		kJ/mol
#	deltafH		-342.76		kcal/mol
	-analytic	-2.0986e2 -7.8823e-2 5.0969e3 8.5642e1 7.9594e1
#	Range		0-350
	-Vm		45.94 # thermo.com.V8.R6+.tdat
#	Extrapol	supcrt92
#	Ref		HDN+78

Annite
	KFe3AlSi3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Fe+2 + 3 SiO2 + 6 H2O
	log_k		29.4693
	-delta_H	-259.964	kJ/mol
#	deltafH		-1232.19	kcal/mol
	-analytic	-4.0186e1 -1.4238e-2 1.8929e4 7.9859e0 -8.4343e5
#	Range		0-350
	-Vm		154.32
#	Extrapol	supcrt92
#	Ref		HDN+78

Anorthite
	CaAl2(SiO4)2 + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 4 H2O
	log_k		26.5780
	-delta_H	-303.039	kJ/mol
#	deltafH		-1007.55	kcal/mol
	-analytic	3.9717e-1 -1.8751e-2 1.4897e4 -6.3078 -2.3885e5
#	Range		0-350
	-Vm		100.79
#	Extrapol	supcrt92
#	Ref		HDN+78

Anthophyllite
	Mg7Si8O22(OH)2 + 14 H+ = 7 Mg+2 + 8 H2O + 8 SiO2
	log_k		66.7965
	-delta_H	-483.486	kJ/mol
#	deltafH		-2888.75	kcal/mol
	-analytic	-1.2865e2 1.9705e-2 5.4853e4 1.9444e1 -3.8080e6
#	Range		0-350
	-Vm		264.4
#	Extrapol	supcrt92
#	Ref		HDN+78

Antigorite
	Mg48Si34O85(OH)62 + 96 H+ = 34 SiO2 + 48 Mg+2 + 79 H2O 
	log_k		477.1943
	-delta_H	-3364.43	kJ/mol
#	deltafH		-17070.9	kcal/mol
	-analytic	-8.1630e2 -6.7780e-2 2.5998e5 2.2029e2 -9.3275e6
#	Range		0-350
	-Vm		1749.13
#	Extrapol	supcrt92
#	Ref		HDN+78

Aragonite
	CaCO3 + H+ = Ca+2 + HCO3-
	log_k		1.9931
	-delta_H	-25.8027	kJ/mol
#	deltafH		-288.531	kcal/mol
	-analytic	-1.4934e2 -4.8043e-2 4.9089e3 6.0284e1 7.6644e1
#	Range		0-325
	-Vm		34.15 # thermo.com.V8.R6+.tdat
#	Extrapol	supcrt92
#	Ref		HDN+78

Arcanite
	K2SO4 = SO4-2 + 2 K+
	log_k		-1.8008
	-delta_H	23.836		kJ/mol
#	deltafH		-1437.78	kJ/mol
	-analytic	-1.6428e2 -6.7762e-2 1.9879e3 7.1116e1 3.1067e1
#	Range		0-300
	-Vm		65.50 # Marion+05
#	Extrapol	Cp integration
#	Ref		RHF79

Artinite
	Mg2CO3(OH)2:3H2O + 3 H+ = HCO3- + 2 Mg+2 + 5 H2O
	log_k		19.6560
	-delta_H	-130.432	kJ/mol
#	deltafH		-698.043	kcal/mol
	-analytic	-2.8614e2 -6.7344e-2 1.5230e4 1.1104e2 2.3773e2
#	Range		0-350
	-Vm		96.9 # 97.85 Webmineral.com
#	Extrapol	supcrt92
#	Ref		HDN+78

Atacamite
	Cu4Cl2(OH)6 + 6 H+ = 2 Cl- + 4 Cu+2 + 6 H2O
	log_k		14.2836
	-delta_H	-132.001	kJ/mol
#	deltafH		-1654.43	kJ/mol
	-analytic	-2.6623e2 -4.8121e-2 1.5315e4 9.8395e1 2.6016e2
#	Range		0-200
	-Vm		56.80 # Webmineral.com
#	Extrapol	Constant H approx
#	Ref		87woo/gar

Azurite
	Cu3(CO3)2(OH)2 + 4 H+ = 2 H2O + 2 HCO3- + 3 Cu+2
	log_k		9.1607
	-delta_H	-122.298	kJ/mol
#	deltafH		-390.1		kcal/mol
	-analytic	-4.4042e2 -1.1934e-1 1.8053e4 1.7158e2 2.8182e2
#	Range		0-350
	-Vm		91.01
#	Extrapol	supcrt92
#	Ref		HDN+78

B
	B + 1.5 H2O + 0.75 O2 = B(OH)3
	log_k		109.5654
	-delta_H	-636.677	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	8.0471e1 1.2577e-3 2.9653e4 -2.8593e1 4.6268e2
#	Range		0-300
	-Vm		4.386 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		CWM89

B2O3
	B2O3 + 3 H2O = 2 B(OH)3
	log_k		5.5464
	-delta_H	-18.0548	kJ/mol
#	deltafH		-1273.5		kJ/mol
	-analytic	9.0905e1 5.5365e-3 -2.6629e3 -3.1553e1 -4.1578e1
#	Range		0-300
	-Vm		28.30 # gfw/density
#	Extrapol	Cp integration
#	Ref		CWM89

Bassanite
	CaSO4:0.5H2O = 0.5 H2O + Ca+2 + SO4-2
	log_k		-3.6615
	-delta_H	-18.711		kJ/mol
#	deltafH		-1576.89	kJ/mol
	-analytic	-2.2010e2 -8.0230e-2 5.5092e3 8.9651e1 8.6031e1
#	Range		0-300
	-Vm		52.31 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Bassetite
	Fe(UO2)2(PO4)2 + 2 H+ = Fe+2 + 2 HPO4-2 + 2 UO2+2
	log_k		-17.7240
	-delta_H	-114.841	kJ/mol
#	deltafH		-1099.33	kcal/mol
	-analytic	-5.7788e1 -4.5400e-2 4.0119e3 1.6216e1 6.8147e1
#	Range		0-200
	-Vm		256.19 # Webmineral.com
#	Extrapol	Constant H approx
#	Ref		78lan

Beidellite-Ca
        Ca.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
	log_k		5.5914
	-delta_H	-162.403	kJ/mol
#	deltafH		-1370.66	kcal/mol
	-analytic	3.872e1 -1.431e-1 0 0 0 9.036e-5
#	Range		0-300
	-Vm		133.081
#	Extrapol	supcrt92, Cp integration
#	Ref		Catalano13, 78 wol differ by 1.5 log K at 0C, 1 log K at 300C

Beidellite-Fe 
	Fe.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Fe+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
	log_k		4.6335
	-delta_H	-154.65		kJ/mol
#	deltafH		-1351.1		kcal/mol
	-analytic	3.641e1 -1.391e-1 0 0 0 8.671e-5
#	Range		0-300
	-Vm		134.293
#	Extrapol	supcrt92
#	Ref		Catalano13

Beidellite-K
	K.35Al2.35Si3.65O10(OH)2 +7.4 H+ = 0.35 K+ + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
	log_k		5.3088
	-delta_H	-150.834	kJ/mol
#	deltafH		-1371.9		kcal/mol
	-analytic	3.307e1 -1.254e-1 0 0 0 7.660e-5
#	Range		0-300
	-Vm		137.214
#	Extrapol	supcrt92, Cp integration
#	Ref		Catalano13, 78 wol differ by 2.9 log K at 0C, 1.7 log K at 300C

Beidellite-Mg
	Mg.175Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Mg+2 + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
	log_k		5.5537
	-delta_H	-165.455	kJ/mol
#	deltafH		-1366.89	kcal/mol
	-analytic	3.750e1 -1.415e-1 0 0 0 8.929e-5
#	Range		0-300
	-Vm		132.116
#	Extrapol	supcrt92, Cp integration
#	Ref		Catalano13, 78 wol differ by 2.4 log K at 0C, 1.4 log K at 300C

Beidellite-Na
	Na.35Al2.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Na+ + 2.35 Al+3 + 3.65 SiO2 + 4.7 H2O
	log_k		5.6473
	-delta_H	-155.846	kJ/mol
#	deltafH		-1369.76	kcal/mol
	-analytic	3.613e1 -1.347e-1 0 0 0 8.470e-5
#	Range		0-300
	-Vm		134.522
#	Extrapol	supcrt92, Cp integration
#	Ref		Catalano13, differ from 78 wol and Wilson+06 (which match) by 2.8 log K at 0C, 1.3 log K at 300C

Berlinite
	AlPO4 + H+ = Al+3 + HPO4-2
	log_k		-7.2087
	-delta_H	-96.6313	kJ/mol
#	deltafH		-1733.85	kJ/mol
	-analytic	-2.8134e2 -9.9933e-2 1.0308e4 1.0883e2 1.6094e2
#	Range		0-300
	-Vm		46.19 # Webmineral.com
#	Extrapol	Cp integration
#	Ref		WEP+82

Bieberite
	CoSO4:7H2O = Co+2 + SO4-2 + 7 H2O
	log_k		-2.5051
	-delta_H	11.3885		kJ/mol
#	deltafH		-2980.02	kJ/mol
	-analytic	-2.6405e2 -7.2497e-2 6.6673e3 1.0538e2 1.0411e2
#	Range		0-300
	-Vm		147.95 # Webmineral.com
#	Extrapol	Cp integration
#	Ref		WEP+82

Bixbyite
	Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O
	log_k		-0.9655
	-delta_H	-190.545	kJ/mol
#	deltafH		-958.971	kJ/mol
	-analytic	-1.1600e2 -2.8056e-3 1.3418e4 2.8639e1 2.0941e2
#	Range		0-300
	-Vm		31.89 # Webmineral.com, density 4.95
#	Extrapol	Cp integration
#	Ref		RHF79

Boehmite
	AlO2H + 3 H+ = Al+3 + 2 H2O
	log_k		7.5642
	-delta_H	-113.282	kJ/mol
#	deltafH		-238.24		kcal/mol
	-analytic	-1.2196e2 -3.1138e-2 8.8643e3 4.4075e1 1.3835e2
#	Range		0-225
	-Vm		19.535
#	Extrapol	supcrt92
#	Ref		HDN+78, 95pok/hel

Borax
	Na2(B4O5(OH)4):8H2O + 2 H+ = 2 Na+ + 4 B(OH)3 + 5 H2O
	log_k		12.0395
	-delta_H	80.5145		kJ/mol
#	deltafH		-6288.44	kJ/mol
	-analytic	7.8374e1 1.9328e-2 -5.3279e3 -2.1914e1 -8.3160e1
#	Range		0-300
	-Vm		222.66 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Boric_acid
	B(OH)3 = B(OH)3
	log_k		-0.1583
	-delta_H	20.2651		kJ/mol
#	deltafH		-1094.8		kJ/mol
	-analytic	3.9122e1 6.4058e-3 -2.2525e3 -1.3592e1 -3.5160e1
#	Range		0-300
	-Vm		43.09 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		CWM89

Bornite
	Cu5FeS4 + 4 H+ = Cu+2 + Fe+2 + 4 Cu+ + 4 HS-
	log_k		-102.4369
	-delta_H	530.113		kJ/mol
#	deltafH		-79.922		kcal/mol
	-analytic	-7.0495e2 -2.0082e-1 -9.1376e3 2.8004e2 -1.4238e2
#	Range		0-350
	-Vm		98.6
#	Extrapol	supcrt92
#	Ref		HDN+78

Brezinaite
	Cr3S4 + 4 H+ = Cr+2 + 2 Cr+3 + 4 HS-
	log_k		2.7883
	-delta_H	-216.731	kJ/mol
#	deltafH		-111.9		kcal/mol
	-analytic	-7.0528e1 -3.6568e-2 1.0598e4 1.9665e1 1.8000e2
#	Range		0-200
	-Vm		69.16 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		78vau/cra

Brochantite
	Cu4(SO4)(OH)6 + 6 H+ = SO4-2 + 4 Cu+2 + 6 H2O
	log_k		15.4363
	-delta_H	-163.158	kJ/mol
#	deltafH		-2198.72	kJ/mol
	-analytic	-2.3609e2 -3.9046e-2 1.5970e4 8.4701e1 2.7127e2
#	Range		0-200
	-Vm		113.60 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		87woo/gar

Brucite
	Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O
	log_k		16.2980
	-delta_H	-111.34		kJ/mol
#	deltafH		-221.39		kcal/mol
	-analytic	-1.0280e2 -1.9759e-2 9.0180e3 3.8282e1 1.4075e2
#	Range		0-350
	-Vm		24.63
#	Extrapol	supcrt92
#	Ref		HDN+78

Bunsenite
	NiO + 2 H+ = H2O + Ni+2
	log_k		12.4719
	-delta_H	-100.069	kJ/mol
#	deltafH		-57.3		kcal/mol
	-analytic	-8.1664e1 -1.9796e-2 7.4064e3 3.0385e1 1.1559e2
#	Range		0-350
	-Vm		10.97
#	Extrapol	supcrt92
#	Ref		HDN+78

C
	C + H2O + O2 = H+ + HCO3-
	log_k		64.1735
	-delta_H	-391.961	kJ/mol
#	deltafH		0		kcal/mol
	-analytic	-3.5556e1 -3.3691e-2 1.9774e4 1.7548e1 3.0856e2
#	Range		0-350
	-Vm		5.298
#	Extrapol	supcrt92
#	Ref		HDN+78

Ca
	Ca  +2 H+ + 0.5 O2 = Ca+2 + H2O
	log_k		139.8465
	-delta_H	-822.855	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-1.1328e2 -2.6554e-2 4.7638e4 4.1989e1 -2.3545e5
#	Range		0-300
	-Vm		26.19 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		CWM89

Ca-Al_Pyroxene
	CaAl2SiO6 + 8 H+ = Ca+2 + SiO2 + 2 Al+3 + 4 H2O
	log_k		35.9759
	-delta_H	-361.548	kJ/mol
#	deltafH		-783.793	kcal/mol
	-analytic	-1.4664e2 -5.0409e-2 2.1045e4 5.1318e1 3.2843e2
#	Range		0-350
	-Vm		63.5
#	Extrapol	supcrt92
#	Ref		HDN+78

Ca3Al2O6
	Ca3Al2O6 + 12 H+ = 2 Al+3 + 3 Ca+2 + 6 H2O
	log_k		113.0460
	-delta_H	-833.336	kJ/mol
#	deltafH		-857.492	kcal/mol
	-analytic	-2.7163e2 -5.2897e-2 5.0815e4 9.2946e1 8.6300e2
#	Range		0-200
	-Vm		88.94 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		82sar/bar

Ca4Al2Fe2O10
	Ca4Al2Fe2O10 + 20 H+ = 2 Al+3 + 2 Fe+3 + 4 Ca+2 + 10 H2O
	log_k		140.5050
	-delta_H	-1139.86	kJ/mol
#	deltafH		-1211		kcal/mol
	-analytic	-4.1808e2 -8.2787e-2 7.0288e4 1.4043e2 1.1937e3
#	Range		0-200
	-Vm		130.28 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		82sar/bar

CaAl2O4
	CaAl2O4 + 8 H+ = Ca+2 + 2 Al+3 + 4 H2O
	log_k		46.9541
	-delta_H	-436.952	kJ/mol
#	deltafH		-555.996	kcal/mol
	-analytic	-3.0378e2 -7.9356e-2 3.0096e4 1.1049e2 4.6971e2
#	Range		0-300
	-Vm		53.02 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		82sar/bar

CaAl4O7
	CaAl4O7 + 14 H+ = Ca+2 + 4 Al+3 + 7 H2O
	log_k		68.6138
	-delta_H	-718.464	kJ/mol
#	deltafH		-951.026	kcal/mol
	-analytic	-3.1044e2 -6.7078e-2 4.4566e4 1.0085e2 7.5689e2
#	Range		0-200
	-Vm		89.35 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		82sar/bar

CaUO4
	CaUO4 + 4 H+ = Ca+2 + UO2+2 + 2 H2O
	log_k		15.9420
	-delta_H	-131.46		kJ/mol
#	deltafH		-2002.3		kJ/mol
	-analytic	-8.7902e1 -1.9810e-2 9.2354e3 3.1832e1 1.4414e2
#	Range		0-300
	-Vm		45.92 # M13
#	Extrapol	Cp integration
#	Ref		92gre/fug

Calcite
	CaCO3 + H+ = Ca+2 + HCO3-
	log_k		1.8487
	-delta_H	-25.7149	kJ/mol
#	deltafH		-288.552	kcal/mol
	-analytic	-1.4978e2 -4.8370e-2 4.8974e3 6.0458e1 7.6464e1
#	Range		0-350
	-Vm		36.934
#	Extrapol	supcrt92
#	Ref		HDN+78

Cattierite
	CoS2 = Co+2 + S2-2
	log_k		-29.9067
#	deltafH		-36.589		kcal/mol
	-analytic	-2.1970e2 -7.8585e-2 -1.9592e3 8.8809e1 -3.0507e1
#	Range		0-300
	-Vm		25.53 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		78vau/cra

Celadonite
	KMgAlSi4O10(OH)2 + 6 H+ = Al+3 + K+ + Mg+2 + 4 H2O + 4 SiO2
	log_k		7.4575
	-delta_H	-74.3957	kJ/mol
#	deltafH		-1394.9		kcal/mol
	-analytic	-3.3097e1 1.7989e-2 1.8919e4 -2.1219 -2.0588e6
#	Range		0-300
	-Vm		157.1
#	Extrapol	supcrt92, Cp integration
#	Ref		HDN+78, 78wol match

Chalcanthite
	CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O
	log_k		-2.6215
	-delta_H	6.57556		kJ/mol
#	deltafH		-2279.68	kJ/mol
	-analytic	-1.1262e2 -1.5544e-2 3.6176e3 4.1420e1 6.1471e1
#	Range		0-200
	-Vm		108.97 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

Chalcedony
	SiO2 = SiO2
	log_k		-3.7281
	-delta_H	31.4093		kJ/mol
#	deltafH		-217.282	kcal/mol
	-analytic	-9.0068 9.3241e-3 4.0535e3 -1.0830 -7.5077e5
#	Range		0-350
	-Vm		22.68
#	Extrapol	supcrt92
#	Ref		HDN+78

Chalcocite
	Cu2S + H+ = HS- + 2 Cu+
	log_k		-34.7342
	-delta_H	206.748		kJ/mol
#	deltafH		-19		kcal/mol
	-analytic	-1.3703e2 -4.0727e-2 -7.1694e3 5.5963e1 -1.1183e2
#	Range		0-350
	-Vm		27.48
#	Extrapol	supcrt92
#	Ref		HDN+78

Chalcocyanite
	CuSO4 = Cu+2 + SO4-2
        log_k		2.9239
	-delta_H	-72.5128	kJ/mol
#	deltafH		-771.4		kJ/mol
	-analytic	5.8173 -1.6933e-2 2.0097e3 -1.8583 3.4126e1
#	Range		0-200
	-Vm		40.88 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		CWM89

Chalcopyrite
	CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS-
	log_k		-32.5638
	-delta_H	127.206		kJ/mol
#	deltafH		-44.453		kcal/mol
	-analytic	-3.1575e2 -9.8947e-2 8.3400e2 1.2522e2 1.3106e1
#	Range		0-350
	-Vm		42.83
#	Extrapol	supcrt92
#	Ref		HDN+78

Chloromagnesite
	MgCl2 = Mg+2 + 2 Cl-
	log_k		21.8604
	-delta_H	-158.802	kJ/mol
#	deltafH		-641.317	kJ/mol
	-analytic	-2.3640e2 -8.2017e-2 1.3480e4 9.5963e1 2.1042e2
#	Range		0-300
	-Vm		40.95 # Webmineral.com
#	Extrapol	Cp integration
#	Ref		RHF79

Chromite
	FeCr2O4 + 8 H+ = Fe+2 + 2 Cr+3 + 4 H2O
	log_k		15.1685
	-delta_H	-267.755	kJ/mol
#	deltafH		-1444.83	kJ/mol
	-analytic	-1.9060e2 -2.5695e-2 1.9465e4 5.9865e1 3.0379e2
#	Range		0-300
	-Vm		44.01 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Chrysotile
	Mg3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O
	log_k		31.1254
	-delta_H	-218.041	kJ/mol
#	deltafH		-1043.12	kcal/mol
	-analytic	-9.2462e1 -1.1359e-2 1.8312e4 2.9289e1 -6.2342e5
#	Range		0-350
	-Vm		108.5
#	Extrapol	supcrt92
#	Ref		HDN+78

Clinochlore-14A
	Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O
	log_k		67.2391
	-delta_H	-612.379	kJ/mol
#	deltafH		-2116.96	kcal/mol
	-analytic	-2.0441e2 -6.2268e-2 3.5388e4 6.9239e1 5.5225e2
#	Range		0-350
	-Vm		207.11
#	Extrapol	supcrt92
#	Ref		HDN+78, Wilson+06 differ by 0.4 log K at 0C, 1.6 log K at 300C

Clinochlore-7A
	Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O
	log_k		70.6124
	-delta_H	-628.14		kJ/mol
#	deltafH		-2113.2		kcal/mol
	-analytic	-2.1644e2 -6.4187e-2 3.6548e4 7.4123e1 5.7037e2
#	Range		0-350
	-Vm		211.5
#	Extrapol	supcrt92
#	Ref		HDN+78

Clinoptilolite-K
	K3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 14.533 SiO2 + 17.856 H2O
	log_k		-10.9485
	-delta_H	67.4862		kJ/mol
#	deltafH		-4937.77	kcal/mol
	-analytic	1.1697e1 6.9480e-2 4.7718e4 -4.7442e1 -7.6907e6
#	Range		0-300
	-Vm		655.93 # Webmineral.com, density 2.15
#	Extrapol	Cp integration
#	Ref		89db 7

Clinozoisite
	Ca2Al3Si3O12(OH) + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O
	log_k		43.2569
	-delta_H	-457.755	kJ/mol
#	deltafH		-1643.78	kcal/mol
	-analytic	-2.8690e1 -3.7056e-2 2.2770e4 3.7880 -2.5834e5
#	Range		0-300
	-Vm		136.2
#	Extrapol	supcrt92
#	Ref		HDN+78, SH88

Co
	Co + 2 H+ + 0.5 O2 = Co+2 + H2O
	log_k		52.5307
	-delta_H	-337.929	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-6.2703e1 -2.0172e-2 1.8888e4 2.3391e1 2.9474e2
#	Range		0-300
	-Vm		6.67 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		RHF79

Co2SiO4
	Co2SiO4 + 4 H+ = SiO2 + 2 Co+2 + 2 H2O
	log_k		6.6808
	-delta_H	-88.6924	kJ/mol
#	deltafH		-353.011	kcal/mol
	-analytic	-3.9978 -3.7985e-3 5.1554e3 -1.5033 -1.6100e5
#	Range		0-300
	-Vm		44.52 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

CoCl2
	CoCl2 = Co+2 + 2 Cl-
	log_k		8.2641
	-delta_H	-79.5949	kJ/mol
#	deltafH		-312.722	kJ/mol
	-analytic	-2.2386e2 -8.0936e-2 8.8631e3 9.1528e1 1.3837e2
#	Range		0-300
	-Vm		38.69 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

CoCl2:2H2O
	CoCl2:2H2O = Co+2 + 2 Cl- + 2 H2O
        log_k		4.6661
	-delta_H	-40.7876	kJ/mol
#	deltafH		-923.206	kJ/mol
        -analytic	-5.6411e1 -2.3390e-2 3.0519e3 2.3361e1 5.1845e1
#  	Range		0-200
	-Vm		66.61 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

CoCl2:6H2O
	CoCl2:6H2O = Co+2 + 2 Cl- + 6 H2O
	log_k		2.6033
	-delta_H	8.32709		kJ/mol
#	deltafH		-2115.67	kJ/mol
	-analytic	-1.5066e2 -2.2132e-2 5.0591e3 5.7743e1 8.5962e1
#	Range		0-200
	-Vm		123.66 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

CoFe2O4
	CoFe2O4 + 8 H+ = Co+2 + 2 Fe+3 + 4 H2O
	log_k		0.8729
	-delta_H	-160.674	kJ/mol
#	deltafH		-272.466	kcal/mol
	-analytic	-3.0149e2 -7.9159e-2 1.5683e4 1.1046e2 2.4480e2
#	Range		0-300
	-Vm		44 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		74nau/ryz

CoO
	CoO + 2 H+ = Co+2 + H2O
	log_k		13.5553
	-delta_H	-106.05		kJ/mol
#	deltafH		-237.946	kJ/mol
	-analytic	-8.4424e1 -1.9457e-2 7.8616e3 3.1281e1 1.2270e2
#	Range		0-300
	-Vm		11.64 # gfw/density
#	Extrapol	Cp integration
#	Ref		WEP+82

CoS
	CoS + H+ = Co+2 + HS-
	log_k		-7.3740
	-delta_H	10.1755		kJ/mol
#	deltafH		-20.182		kcal/mol
	-analytic	-1.5128e2 -4.8484e-2 2.9553e3 5.9983e1 4.6158e1
#	Range		0-300
	-Vm		22.91 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		74nau/ryz

CoSO4
	CoSO4 = Co+2 + SO4-2
	log_k		2.8996
	-delta_H	-79.7952	kJ/mol
#	deltafH		-887.964	kJ/mol
	-analytic	-1.9907e2 -7.7890e-2 7.7193e3 8.0525e1 1.2051e2
#	Range		0-300
	-Vm		41.78 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

CoSO4:6H2O
	CoSO4:6H2O = Co+2 + SO4-2 + 6 H2O
	log_k		-2.3512
	-delta_H	1.08483		kJ/mol
#	deltafH		-2683.87	kJ/mol
	-analytic	-2.5469e2 -7.3092e-2 6.6767e3 1.0172e2 1.0426e2
#	Range		0-300
	-Vm		130.30 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

CoSO4:H2O
	CoSO4:H2O = Co+2 + H2O + SO4-2
	log_k		-1.2111
	-delta_H	-52.6556	kJ/mol
#	deltafH		-287.032	kcal/mol
	-analytic	-1.0570e1 -1.6196e-2 1.7180e3 3.4000 2.9178e1
#	Range		0-200
	-Vm		56.26 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		74nau/ryz

Coesite
	SiO2 = SiO2
	log_k		-3.1893
	-delta_H	28.6144		kJ/mol
#	deltafH		-216.614	kcal/mol
	-analytic	-9.7312 9.1773e-3 4.2143e3 -7.8065e-1 -7.4905e5
#	Range		0-350
	-Vm		20.641
#	Extrapol	supcrt92
#	Ref		HDN+78

Coffinite
	USiO4 + 4 H+ = SiO2 + U+4 + 2 H2O
	log_k		-8.0530
	-delta_H	-49.2493	kJ/mol
#	deltafH		-1991.33	kJ/mol
	-analytic	2.3126e2 6.2389e-2 -4.6189e3 -9.7976e1 -7.8517e1
#	Range		0-200
	-Vm		46.12 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H Approx
#	Ref		92gre/fug

Cordierite_anhyd
	Mg2Al4Si5O18 + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 8 H2O
	log_k		52.3035
	-delta_H	-626.219	kJ/mol
#	deltafH		-2183.2		kcal/mol
	-analytic	2.6562 -2.3801e-2 3.5192e4 -1.9911e1 -1.0894e6
#	Range		0-350
	-Vm		233.22
#	Extrapol	supcrt92
#	Ref		HDN+78 differ by 3 log K at 0C, 0.8 log K at 350C

Cordierite_hydr
	Mg2Al4Si5O18:H2O + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 9 H2O
	log_k		49.8235
	-delta_H	-608.814	kJ/mol
#	deltafH		-2255.68	kcal/mol
	-analytic	-1.2985e2 -4.1335e-2 4.1566e4 2.7892e1 -1.4819e6
#	Range		0-350
	-Vm		241.22
#	Extrapol	supcrt92
#	Ref		HDN+78 differ by 3.4 log K at 0C, 0.8 log K at 350C

Corundum
	Al2O3 + 6 H+ = 2 Al+3 + 3 H2O
	log_k		18.3121
	-delta_H	-258.626	kJ/mol
#	deltafH		-400.5		kcal/mol
	-analytic	-1.4278e2 -7.8519e-2 1.3776e4 5.5881e1 2.1501e2
#	Range		0-350
	-Vm		25.575
#	Extrapol	supcrt92
#	Ref		HDN+78, 95pok/hel differ by 1 log K at 0C, 7 log K at 300C !! flag

Covellite
	CuS + H+ = Cu+2 + HS-
	log_k		-22.8310
	-delta_H	101.88		kJ/mol
#	deltafH		-12.5		kcal/mol
	-analytic	-1.6068e2 -4.9040e-2 -1.4234e3 6.3536e1 -2.2164e1
#	Range		0-350
	-Vm		20.42
#	Extrapol	supcrt92
#	Ref		HDN+78

Cr
	Cr + 3 H+ + 0.75 O2 = Cr+3 + 1.5 H2O
	log_k		98.6784
	-delta_H	-658.145	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-2.2488e1 -5.5886e-3 3.4288e4 3.1585 5.3503e2
#	Range		0-300
	-Vm		7.231 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		RHF79

CrCl3
	CrCl3 = Cr+3 + 3 Cl-
	log_k		17.9728
	-delta_H	-183.227	kJ/mol
#	deltafH		-556.5		kJ/mol
	-analytic	-2.6348e2 -9.5339e-2 1.4785e4 1.0517e2 2.3079e2
#	Range		0-300
	-Vm		57.38 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

CrO2
	CrO2 = 0.5 Cr+2 + 0.5 CrO4-2
	log_k		-19.1332
	-delta_H	85.9812		kJ/mol
#	deltafH		-143		kcal/mol
	-analytic	2.7763 -7.7698e-3 -5.2893e3 -7.4970e-1 -8.9821e1
#	Range		0-200
	-Vm		16.95 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		76del/hal

CrO3
	CrO3 + H2O = CrO4-2 + 2 H+
	log_k		-3.5221
	-delta_H	-5.78647	kJ/mol
#	deltafH		-140.9		kcal/mol
	-analytic	-1.3262e2 -6.1411e-2 2.2083e3 5.6564e1 3.4497e1
#	Range		0-300
	-Vm		35.14 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		76del/hal

CrS
	CrS + H+ = Cr+2 + HS-
	log_k		-0.6304
	-delta_H	-26.15		kJ/mol
#	deltafH		-31.9		kcal/mol
	-analytic	-1.1134e2 -3.5954e-2 3.8744e3 4.3815e1 6.0490e1
#	Range		0-300
	-Vm		17.33 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		76del/hal

Cristobalite(alpha)
	SiO2 = SiO2
	log_k		-3.4488
	-delta_H	29.2043		kJ/mol
#	deltafH		-216.755	kcal/mol
	-analytic	-1.1936e1 9.0520e-3 4.3701e3 -1.1464e-1 -7.6568e5
#	Range		0-350
	-Vm		25.74
#	Extrapol	supcrt92
#	Ref		HDN+78

Cristobalite(beta)
	SiO2 = SiO2
	log_k		-3.0053
	-delta_H	24.6856		kJ/mol
#	deltafH		-215.675	kcal/mol
	-analytic	-4.7414 9.7567e-3 3.8831e3 -2.5830 -6.9636e5
#	Range		0-350
	-Vm		27.38
#	Extrapol	supcrt92
#	Ref		HDN+78

Cronstedtite-7A
	Fe2Fe2SiO5(OH)4 + 10 H+ = SiO2 + 2 Fe+2 + 2 Fe+3 + 7 H2O
	log_k		16.2603
	-delta_H	-244.266	kJ/mol
#	deltafH		-697.413	kcal/mol
	-analytic	-2.3783e2 -7.1026e-2 1.7752e4 8.7147e1 2.7707e2
#	Range		0-300
	-Vm		110.9 # HDN+78
#	Extrapol	Cp integration
#	Ref		78wol

Cu
	Cu + 2 H+ + 0.5 O2 = Cu+2 + H2O
	log_k		31.5118
	-delta_H	-214.083	kJ/mol
#	deltafH		0		kcal/mol
	-analytic	-7.0719e1 -2.0300e-2 1.2802e4 2.6401e1 1.9979e2
#	Range		0-300
	-Vm		7.113
#	Extrapol	supcrt92
#	Ref		HDN+78


CuCl2
	CuCl2 = Cu+2 + 2 Cl-
	log_k		3.7308
	-delta_H	-48.5965	kJ/mol
#	deltafH		-219.874	kJ/mol
	-analytic	-1.7803e1 -2.4432e-2 1.5729e3 9.5104 2.6716e1
#	Range		0-200
	-Vm		39.71 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

CuCr2O4
	CuCr2O4 + 8 H+ = Cu+2 + 2 Cr+3 + 4 H2O
	log_k		16.2174
	-delta_H	-268.768	kJ/mol
#	deltafH		-307.331	kcal/mol
	-analytic	-1.8199e2 -1.0254e-2 2.0123e4 5.4062e1 3.4178e2
#	Range		0-200
	-Vm		42.74 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		76del/hal

Cuprite
	Cu2O + 2 H+ = H2O + 2 Cu+
	log_k		-1.9031
	-delta_H	28.355		kJ/mol
#	deltafH		-40.83		kcal/mol
	-analytic	-8.6240e1 -1.1445e-2 1.7851e3 3.3041e1 2.7880e1
#	Range		0-350
	-Vm		23.437
#	Extrapol	supcrt92
#	Ref		HDN+78

Daphnite-14A
	Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
	log_k		52.2821
	-delta_H	-517.561	kJ/mol
#	deltafH		-1693.04	kcal/mol
	-analytic	-1.5261e2 -6.1392e-2 2.8283e4 5.1788e1 4.4137e2
#	Range		0-350
	-Vm		213.42
#	Extrapol	supcrt92
#	Ref		HDN+78

Daphnite-7A
	Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O
	log_k	55.6554
	-delta_H	-532.326	kJ/mol
#	deltafH		-1689.51	kcal/mol
	-analytic	-1.6430e2 -6.3160e-2 2.9499e4 5.6442e1 4.6035e2
#	Range		0-300
	-Vm		221.2
#	Extrapol	supcrt92
#	Ref		HDN+78

Dawsonite
	NaAlCO3(OH)2 + 3 H+ = Al+3 + HCO3- + Na+ + 2 H2O
	log_k		4.3464
	-delta_H	-76.3549	kJ/mol
#	deltafH		-1963.96	kJ/mol
	-analytic	-1.1393e2 -2.3487e-2 7.1758e3 4.0900e1 1.2189e2
#	Range		0-200
	-Vm		59.50 # Webmineral.com
#	Extrapol	Constant H approx
#	Ref		RHF79

Delafossite
	CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O
	log_k		-6.4172
	-delta_H	-18.6104	kJ/mol
#	deltafH		-126.904	kcal/mol
	-analytic	-1.5275e2 -3.5478e-2 5.1404e3 5.6437e1 8.0255e1
#	Range		0-300
	-Vm		27.52 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		74nau/ryz

Diaspore
	AlHO2 + 3 H+ = Al+3 + 2 H2O
	log_k		7.1603
	-delta_H	-110.42		kJ/mol
#	deltafH		-238.924	kcal/mol
	-analytic	-1.2618e2 -3.1671e-2 8.8737e3 4.5669e1 1.3850e2
#	Range		0-225
	-Vm		17.76
#	Extrapol	supcrt92
#	Ref		HDN+78, 95pok/hel

Dicalcium_silicate
	Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O
	log_k		37.1725
	-delta_H	-217.642	kJ/mol
#	deltafH		-2317.9		kJ/mol
	-analytic	-5.9723e1 -1.3682e-2 1.5461e4 2.1547e1 -3.7732e5
#	Range		0-300
	-Vm		59.11 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Diopside
	CaMgSi2O6 + 4 H+ = Ca+2 + Mg+2 + 2 H2O + 2 SiO2
	log_k		20.9643
	-delta_H	-133.775	kJ/mol
#	deltafH		-765.378	kcal/mol
	-analytic	7.1240e1 1.5514e-2 8.1437e3 -3.0672e1 -5.6880e5
#	Range		0-350
	-Vm		66.09
#	Extrapol	supcrt92
#	Ref		HDN+78

Dioptase
	CuSiO2(OH)2 + 2 H+ = Cu+2 + SiO2 + 2 H2O
	log_k		6.0773
	-delta_H	-25.2205	kJ/mol
#	deltafH		-1358.47	kJ/mol
	-analytic	2.3913e2 6.2669e-2 -5.4030e3 -9.4420e1 -9.1834e1
#	Range		0-200
	-Vm		48.24 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		87woo/gar

Dolomite-dis
	CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
	log_k		4.0579
	-delta_H	-72.2117	kJ/mol
#	deltafH		-553.704	kcal/mol
	-analytic	-3.1706e2 -9.7886e-2 1.1442e4 1.2604e2 1.7864e2
#	Range		0-350
	-Vm		64.39
#	Extrapol	supcrt92
#	Ref		HDN+78

Dolomite-ord
	CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3-
	log_k		2.5135
	-delta_H	-59.9651	kJ/mol
#	deltafH		-556.631	kcal/mol
	-analytic	-3.1654e2 -9.7902e-2 1.0805e4 1.2607e2 1.6870e2
#	Range		0-350
	-Vm		64.34
#	Extrapol	supcrt92
#	Ref		HDN+78

Enstatite
	MgSiO3 + 2 H+ = H2O + Mg+2 + SiO2
	log_k		11.3269
	-delta_H	-82.7302	kJ/mol
#	deltafH		-369.686	kcal/mol
	-analytic	-4.9278e1 -3.2832e-3 9.5205e3 1.4437e1 -5.4324e5
#	Range		0-350
	-Vm		31.276
#	Extrapol	supcrt92
#	Ref		HDN+78

Epidote
	Ca2FeAl2Si3O12OH + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O
	log_k		32.9296
	-delta_H	-386.451	kJ/mol
#	deltafH		-1543.99	kcal/mol
	-analytic	-2.6187e1 -3.6436e-2 1.9351e4 3.3671 -3.0319e5
#	Range		0-350
	-Vm		139.2
#	Extrapol	supcrt92
#	Ref		HDN+78

Epidote-ord
	FeCa2Al2(OH)(SiO4)3 + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O
	log_k		32.9296
	-delta_H	-386.351	kJ/mol
#	deltafH		-1544.02	kcal/mol
	-analytic	1.9379e1 -3.2870e-2 1.5692e4 -1.1901e1 2.4485e2
#	Range		0-350
	-Vm		139.2
#	Extrapol	supcrt92
#	Ref		HDN+78

Eskolaite
	Cr2O3 + 2 H2O + 1.5 O2 = 2 CrO4-2 + 4 H+
	log_k		-9.1306
	-delta_H	-32.6877	kJ/mol
#	deltafH		-1139.74	kJ/mol
	-analytic	-2.0411e2 -1.2809e-1 2.2197e3 9.1186e1 3.4697e1
#	Range		0-300
	-Vm		29.09 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Ettringite
	Ca6Al2(SO4)3(OH)12:26H2O + 12 H+ = 2 Al+3 + 3 SO4-2 + 6 Ca+2 + 38 H2O
	log_k		62.5362
	-delta_H	-382.451	kJ/mol
#	deltafH		-4193		kcal/mol
	-analytic	-1.0576e3 -1.1585e-1 5.9580e4 3.8585e2 1.0121e3
#	Range		0-200
	-Vm		697.28 # Webmineral.com
#	Extrapol	Constant H approx
#	Ref		82sar/bar

Eu
	Eu + 3 H+ + 0.75 O2 = Eu+3 + 1.5 H2O
	log_k		165.1443
	-delta_H	-1025.08	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-6.5749e1 -2.8921e-2 5.4018e4 2.3561e1 8.4292e2
#	Range		0-300
	-Vm		28.97 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		85rar 2

Eu(OH)3
	Eu(OH)3 + 3 H+ = Eu+3 + 3 H2O
	log_k		15.3482
	-delta_H	-126.897	kJ/mol
#	deltafH		-1336.04	kJ/mol
	-analytic	-6.3077e1 -6.1421e-3 8.7323e3 2.0595e1 1.4831e+2
#	Range		0-200
	-Vm		38.44 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		87rar 2

Eu2(SO4)3:8H2O
	Eu2(SO4)3:8H2O = 2 Eu+3 + 3 SO4-2 + 8 H2O
	log_k		-10.8524
	-delta_H	-86.59		kJ/mol
#	deltafH		-6139.77	kJ/mol
	-analytic	-5.6582e1 -3.8846e-2 3.3821e3 1.8561e1 5.7452e1
#	Range		0-200
	-Vm		245.41 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		85rar 2

Eu2O3(cubic)
	Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O
	log_k		51.7818
	-delta_H	-406.403	kJ/mol
#	deltafH		-1661.96	kJ/mol
	-analytic	-5.3469e1 -1.2554e-2 2.1925e4 1.4324e1 3.7233e2
#	Range		0-200
	-Vm		48.29 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		85rar 2

Eu2O3(monoclinic)
	Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O
        log_k		53.3936
	-delta_H	-417.481	kJ/mol
#	deltafH		-1650.88	kJ/mol
	-analytic	-5.4022e1 -1.2627e-2 2.2508e4 1.4416e1 3.8224e2
#	Range		0-200
	-Vm		44.02 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		85rar 2

Eu3O4
	Eu3O4 + 8 H+ = Eu+2 + 2 Eu+3 + 4 H2O
        log_k		87.0369
	-delta_H	-611.249	kJ/mol
#	deltafH		-2270.56	kJ/mol
	-analytic	-1.1829e2 -2.0354e-2 3.4981e4 3.8007e1 5.9407e2
#	Range		0-200
	-Vm		64.15 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		85rar 2

EuCl2
	EuCl2 = Eu+2 + 2 Cl-
	log_k		5.9230
	-delta_H	-39.2617	kJ/mol
#	deltafH		-822.5		kJ/mol
	-analytic	-2.5741e1 -2.4956e-2 1.5713e3 1.3670e1 2.6691e1
#	Range		0-200
	-Vm		45.49 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		87rar 2

EuCl3
	EuCl3 = Eu+3 + 3 Cl-
	log_k		19.7149
	-delta_H	-170.861	kJ/mol
#	deltafH		-935.803	kJ/mol
	-analytic	3.2865e1 -3.1877e-2 4.9792e3 -8.2294 8.4542e1
#	Range		0-200
	-Vm		52.83 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		85rar 2

EuCl3:6H2O
	EuCl3:6H2O = Eu+3 + 3 Cl- + 6 H2O
	log_k		4.9090
	-delta_H	-40.0288	kJ/mol
#	deltafH		-2781.66	kJ/mol
	-analytic	-1.0987e2 -2.9851e-2 4.9991e3 4.3198e1 8.4930e1
#	Range		0-200
	-Vm		151.22 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		85rar 2

EuOCl
	EuOCl + 2 H+ = Cl- + Eu+3 + H2O
        log_k		15.6683
	-delta_H	-147.173	kJ/mol
#	deltafH		-911.17		kJ/mol
	-analytic	-7.7446 -1.4960e-2 6.6242e3 2.2813 1.1249e2
#	Range		0-200
	-Vm		31.68 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		87rar 2

EuS
	EuS + H+ = Eu+2 + HS-
	log_k		14.9068
	-delta_H	-96.4088	kJ/mol
#	deltafH		-447.302	kJ/mol
        -analytic	-4.1026e1 -1.5582e-2 5.7842e3 1.6639e1 9.8238e1
#	Range		0-200
	-Vm		32.03 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		85rar 2

EuSO4
	EuSO4 = Eu+2 + SO4-2
        log_k		-8.8449
	-delta_H	33.873		kJ/mol
#	deltafH		-1471.08	kJ/mol
	-analytic	3.0262e-1 -1.7571e-2 -3.0392e3 2.5356 -5.1610e1
#	Range		0-200
	-Vm		49.71 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		85rar 2

Eucryptite
	LiAlSiO4 + 4 H+ = Al+3 + Li+ + SiO2 + 2 H2O
	log_k		13.6106
	-delta_H	-141.818	kJ/mol
#	deltafH		-2124.41	kJ/mol
	-analytic	-2.2213 -8.2498e-3 6.4838e3 -1.4183 1.0117e2
#	Range		0-300
	-Vm		53.63 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Fayalite
	Fe2SiO4 + 4 H+ = SiO2 + 2 Fe+2 + 2 H2O
	log_k		19.1113
	-delta_H	-152.256	kJ/mol
#	deltafH		-354.119	kcal/mol
	-analytic	1.3853e1 -3.5501e-3 7.1496e3 -6.8710e0 -6.3310e4
#	Range		0-350
	-Vm		46.39
#	Extrapol	supcrt92
#	Ref		HDN+78

Fe
	Fe + 2 H+ + 0.5 O2 = Fe+2 + H2O
	log_k		59.0325
	-delta_H	-372.029	kJ/mol
#	deltafH		0		kcal/mol
	-analytic	-6.2882e1 -2.0379e-2 2.0690e4 2.3673e1 3.2287e2
#	Range		0-350
	-Vm		7.092 # thermo.com.V8.R6+.tdat
#	Extrapol	supcrt92
#	Ref		RHF79

Fe(OH)2
	Fe(OH)2 + 2 H+ = Fe+2 + 2 H2O
	log_k		13.9045
	-delta_H	-95.4089	kJ/mol
#	deltafH		-568.525	kJ/mol
	-analytic	-8.6666e1 -1.8440e-2 7.5723e3 3.2597e1 1.1818e2
#	Range		0-300
	-Vm		26.43 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Fe(OH)3
	Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
	log_k		5.6556
	-delta_H	-84.0824	kJ/mol
#	deltafH		-823.013	kJ/mol
        -analytic	-1.3316e2 -3.1284e-2 7.9753e3 4.9052e1 1.2449e2
#	Range		0-300
	-Vm		34.36 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Fe2(SO4)3
	Fe2(SO4)3 = 2 Fe+3 + 3 SO4-2
	log_k		3.2058
	-delta_H	-250.806	kJ/mol
#	deltafH		-2577.16	kJ/mol
	-analytic	-5.8649e2 -2.3718e-1 2.2736e4 2.3601e2 3.5495e2
#	Range		0-300
	-Vm		130.77 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		RHF79	

FeO
	FeO + 2 H+ = Fe+2 + H2O
	log_k		13.5318
	-delta_H	-106.052	kJ/mol
#	deltafH		-65.02		kcal/mol
	-analytic	-7.8750e1 -1.8268e-2 7.6852e3 2.9074e1 1.1994e2
#	Range		0-350
	-Vm		12
#	Extrapol	supcrt92
#	Ref		HDN+78

FeSO4
	FeSO4 = Fe+2 + SO4-2
	log_k		2.6565
	-delta_H	-73.0878	kJ/mol
#	deltafH		-928.771	kJ/mol
	-analytic	-2.0794e2 -7.6891e-2 7.8705e3 8.3685e1 1.2287e2
#	Range		0-300
	-Vm		41.58 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Ferrite-Ca
	CaFe2O4 + 8 H+ = Ca+2 + 2 Fe+3 + 4 H2O
	log_k		21.5217
	-delta_H	-264.738	kJ/mol
#	deltafH		-363.494	kcal/mol
        -analytic	-2.8472e2 -7.5870e-2 2.0688e4 1.0485e2 3.2289e2
#	Range		0-300
	-Vm		44.98 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		82sar/bar

Ferrite-Cu
	CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O
	log_k		10.3160
	-delta_H	-211.647	kJ/mol
#	deltafH		-965.178	kJ/mol
	-analytic	-3.1271e2 -7.9976e-2 1.8818e4 1.1466e2 2.9374e2
#	Range		0-300
	-Vm		44.53 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Ferrite-Dicalcium
	Ca2Fe2O5 + 10 H+ = 2 Ca+2 + 2 Fe+3 + 5 H2O
	log_k		56.8331
	-delta_H	-475.261	kJ/mol
#	deltafH		-2139.26	kJ/mol
	-analytic	-3.6277e2 -9.5015e-2 3.3898e4 1.3506e2 5.2906e2
#	Range		0-300
	-Vm		67.18 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		RHF79

Ferrite-Mg
	MgFe2O4 + 8 H+ = Mg+2 + 2 Fe+3 + 4 H2O
	log_k		21.0551
	-delta_H	-280.056	kJ/mol
#	deltafH		-1428.42	kJ/mol
	-analytic	-2.8297e2 -7.4820e-2 2.1333e4 1.0295e2 3.3296e2
#	Range		0-300
	-Vm		44.57 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		RHF79

Ferrite-Zn
	ZnFe2O4 + 8 H+ = Zn+2 + 2 Fe+3 + 4 H2O
	log_k		11.7342
	-delta_H	-226.609	kJ/mol
#	deltafH		-1169.29	kJ/mol
	-analytic	-2.9809e2 -7.7263e-2 1.9067e4 1.0866e2 2.9761e2
#	Range		0-300
	-Vm		45.23 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Ferrosilite
	FeSiO3 + 2 H+ = Fe+2 + H2O + SiO2
	log_k		7.4471
	-delta_H	-60.6011	kJ/mol
#	deltafH		-285.658	kcal/mol
	-analytic	9.0041 3.7917e-3 5.1625e3 -6.3009 -3.9565e5
#	Range		0-350
	-Vm		32.952
#	Extrapol	supcrt92
#	Ref		HDN+78

Forsterite
	Mg2SiO4 + 4 H+ =  SiO2 + 2 H2O + 2 Mg+2
	log_k		27.8626
	-delta_H	-205.614	kJ/mol
#	deltafH		-520		kcal/mol
	-analytic	-7.6195e1 -1.4013e-2 1.4763e4 2.5090e1 -3.0379e5
#	Range		0-350
	-Vm		43.79
#	Extrapol	supcrt92
#	Ref		HDN+78

Foshagite
	Ca4Si3O9(OH)2:0.5H2O + 8 H+ = 3 SiO2 + 4 Ca+2 + 5.5 H2O
	log_k		65.9210
	-delta_H	-359.839	kJ/mol
#	deltafH		-1438.27	kcal/mol
	-analytic	2.9983e1 5.5272e-3 2.3427e4 -1.3879e1 -8.9461e5
#	Range		0-300
	-Vm		154.23 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		82sar/bar


Gd
	Gd + 3 H+ + 0.75 O2 = Gd+3 + 1.5 H2O
	log_k		180.7573
	-delta_H	-1106.67	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-3.3949e2 -6.5698e-2 7.4278e4 1.2189e2 -9.7055e5
#	Range		0-300
	-Vm		19.89 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		RHF79

Gehlenite
	Ca2Al2SiO7 + 10 H+ = SiO2 + 2 Al+3 + 2 Ca+2 + 5 H2O
	log_k		56.2997
	-delta_H	-489.934	kJ/mol
#	deltafH		-951.225	kcal/mol
	-analytic	-2.1784e2 -6.7200e-2 2.9779e4 7.8488e1 4.6473e2
#	Range		0-350
	-Vm		90.24
#	Extrapol	supcrt92
#	Ref		HDN+78

Gibbsite
	Al(OH)3 + 3 H+ = Al+3 + 3 H2O
	log_k		7.7560
	-delta_H	-102.788	kJ/mol
#	deltafH		-309.065	kcal/mol
	-analytic	-1.1403e2 -3.6453e-2 7.7236e3 4.3134e1 1.2055e2
#	Range		0-150
	-Vm		31.956
#	Extrapol	supcrt92
#	Ref		HDN+78, 95pok/hel

Goethite
	FeOOH + 3 H+ = Fe+3 + 2 H2O
	log_k		0.5345
	-delta_H	-61.9291	kJ/mol
#	deltafH		-559.328	kJ/mol
	-analytic	-6.0331e1 -1.0847e-2 4.7759e3 1.9429e1 8.1122e1
#	Range		0-200
	-Vm		20.82
#	Extrapol	supcrt92, Constant H approx
#	Ref		Sho09, MLS+03, RHF79 match

Greenalite
	Fe3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Fe+2 + 5 H2O
	log_k		22.6701
	-delta_H	-165.297	kJ/mol
#	deltafH		-787.778	kcal/mol
	-analytic	-1.4187e1 -3.8377e-3 1.1710e4 1.6442 -4.8290e5
#	Range		0-350
	-Vm		115
#	Extrapol	supcrt92
#	Ref		HDN+78, 78wol, Wilson+06 match

Grossular
	Ca3Al2(SiO4)3 + 12 H+ = 2 Al+3 + 3 Ca+2 + 3 SiO2 + 6 H2O
	log_k		51.9228
	-delta_H	-432.006	kJ/mol
#	deltafH		-1582.74	kcal/mol
	-analytic	2.9389e1 -2.2478e-2 2.0323e4 -1.4624e1 -2.5674e5
#	Range		0-350
	-Vm		125.3
#	Extrapol	supcrt92
#	Ref		HDN+78

Gypsum
	CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
	log_k		-4.4823
	-delta_H	-1.66746	kJ/mol
#	deltafH		-2022.69	kJ/mol
	-analytic	-2.4417e2 -8.3329e-2 5.5958e3 9.9301e1 8.7389e1
#	Range		0-300
	-Vm		74.69 # Marion+05
#	Extrapol	Cp integration
#	Ref		RHF79

Gyrolite
	Ca2Si3O7(OH)2:1.5H2O + 4 H+ = 2 Ca+2 + 3 SiO2 + 4.5 H2O
	log_k		22.9099
	-delta_H	-82.862		kJ/mol
#	deltafH		-1176.55	kcal/mol
	-analytic	-2.4416e1 1.4646e-2 1.6181e4 2.3723 -1.5369e6
#	-Range		0-300
	-Vm		136.85 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		82sar/bar

Halite
	NaCl = Cl- + Na+
	log_k		1.5855
	-delta_H	3.7405		kJ/mol
#	deltafH		-98.26		kcal/mol
	-analytic	-1.0163e2 -3.4761e-2 2.2796e3 4.2802e1 3.5602e1
#	Range		0-350
	-Vm		27.015
#	Extrapol	supcrt92
#	Ref		HDN+78

Hatrurite
	Ca3SiO5 + 6 H+ = SiO2 + 3 Ca+2 + 3 H2O
	log_k		73.4056
	-delta_H	-434.684	kJ/mol
#	deltafH		-700.234	kcal/mol
	-analytic	-4.5448e1 -1.9998e-2 2.3800e4 1.8494e1 -7.3385e4
#	Range		0-300
	-Vm		75.60 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		82sar/bar

Hausmannite
	Mn3O4 + 8 H+ = Mn+2 + 2 Mn+3 + 4 H2O
	log_k		10.1598
	-delta_H	-268.121	kJ/mol
#	deltafH		-1387.83	kJ/mol
	-analytic	-2.0600e2 -2.2214e-2 2.0160e4 6.2700e1 3.1464e2
#	Range		0-300
	-Vm		48.07 # Webmineral.com
#	Extrapol	Cp integration
#	Ref		RHF79

Heazlewoodite
	Ni3S2 + 4 H+ + 0.5 O2 = H2O + 2 HS- + 3 Ni+2
	log_k		28.2477
	-delta_H	-270.897	kJ/mol
#	deltafH		-203.012	kJ/mol
	-analytic	-3.5439e2 -1.1740e-1 2.1811e4 1.3919e2 3.4044e2
#	Range		0-300
	-Vm		40.95 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Hedenbergite
	CaFe(SiO3)2 + 4 H+ = Ca+2 + Fe+2 + 2 H2O + 2 SiO2
	log_k		19.6060
	-delta_H	-124.507	kJ/mol
#	deltafH		-678.276	kcal/mol
	-analytic	-1.9473e1 1.5288e-3 1.2910e4 2.1729 -9.0058e5
#	Range		0-350
	-Vm		68.27
#	Extrapol	supcrt92
#	Ref		HDN+78

Hematite
	Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
	log_k		0.1086
	-delta_H	-129.415	kJ/mol
#	deltafH		-197.72		kcal/mol
	-analytic	-2.2015e2 -6.0290e-2 1.1812e4 8.0253e1 1.8438e2
#	Range		0-350
	-Vm		30.274
#	Extrapol	supcrt92
#	Ref		HDN+78

Hercynite
	FeAl2O4 + 8 H+ = Fe+2 + 2 Al+3 + 4 H2O
	log_k		28.8484
	-delta_H	-345.961	kJ/mol
#	deltafH		-1966.45	kJ/mol
	-analytic	-3.1848e2 -7.9501e-2 2.5892e4 1.1483e2 4.0412e2
#	Range		0-300
	-Vm		40.75 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		RHF79

Hillebrandite
	Ca2SiO3(OH)2:0.17H2O + 4 H+ = SiO2 + 2 Ca+2 + 3.17 H2O
	log_k		36.8190
	-delta_H	-203.074	kJ/mol
#	deltafH		-637.404	kcal/mol
	-analytic	-1.9360e1 -7.5176e-3 1.1947e4 8.0558 -1.4504e5
#	Range		0-300
	-Vm		71.79 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		82sar/bar

Huntite
	CaMg3(CO3)4 + 4 H+ = Ca+2 + 3 Mg+2 + 4 HCO3-
	log_k		10.3010
	-delta_H	-171.096	kJ/mol
#	deltafH		-1082.6		kcal/mol
	-analytic	-6.5e2 -1.9671e-1 2.4815e4 2.5688e2 3.8740e2
#	Range		0-350
	-Vm		122.9
#	Extrapol	supcrt92
#	Ref		HDN+78

Hydromagnesite
	Mg5(CO3)4(OH)2:4H2O + 6 H+ = 4 HCO3- + 5 Mg+2 + 6 H2O
	log_k		30.8539
	-delta_H	-289.696	kJ/mol
#	deltafH		-1557.09	kcal/mol
	-analytic	-7.9288e2 -2.1448e-1 3.6749e4 3.0888e2 5.7367e2
#	Range		0-350
	-Vm		208.8
#	Extrapol	supcrt92
#	Ref		HDN+78

Hydrophilite
	CaCl2 = Ca+2 + 2 Cl-
	log_k		11.7916
	-delta_H	-81.4545	kJ/mol
#	deltafH		-795.788	kJ/mol
	-analytic	-2.2278e2 -8.1414e-2 9.0298e3 9.2349e1 1.4097e2
#	Range		0-300
	-Vm		49.99 # Webmineral.com
#	Extrapol	Cp integration
#	Ref		RHF79

Hydroxyapatite
	Ca5(OH)(PO4)3 + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2
	log_k		-3.0746
	-delta_H	-191.982	kJ/mol
#	deltafH		-6685.52	kJ/mol
	-analytic	-8.5221e2 -2.9430e-1 2.8125e4 3.4044e2 4.3911e2
#	Range		0-300
	-Vm		128.9
#	Extrapol	Cp integration
#	Ref		RHF79

Ice
	H2O = H2O
	log_k		0.1387
	-delta_H	6.74879		kJ/mol
#	deltafH		-69.93		kcal/mol
	-analytic	-2.3260e1 4.7948e-4 7.7351e2 8.3499 1.3143e1
#	Range		0-200
	-Vm		19.635 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		87kee/rup

Ilmenite
	FeTiO3 + 2 H+ + H2O = Fe+2 + Ti(OH)4
	log_k		0.9046
#	deltafH		-1236.65	kJ/mol
	-Vm		32.15 # Webmineral.com
#	Ref		RHF79

Jadeite
	NaAl(SiO3)2 + 4 H+ = Al+3 + Na+ + 2 H2O + 2 SiO2
	log_k		8.3888
	-delta_H	-84.4415	kJ/mol
#	deltafH		-722.116	kcal/mol
	-analytic	1.5934 5.0757e-3 9.5602e3 -7.0164 -8.4454e5
#	Range		0-350
	-Vm		60.4
#	Extrapol	supcrt92
#	Ref		HDN+78

Jarosite
	KFe3(SO4)2(OH)6 + 6 H+ = K+ + 2 SO4-2 + 3 Fe+3 + 6 H2O
	log_k		-9.3706
	-delta_H	-191.343	kJ/mol
#	deltafH		-894.79		kcal/mol
	-analytic	-1.0813e2 -5.0381e-2 9.6893e3 3.2832e1 1.6457e2
#	Range		0-200
	-Vm		162.07 # Webmineral.com
#	Extrapol	Constant H approx
#	Ref		75kas/bor

K
	K + H+ + 0.25 O2 = 0.5 H2O + K+
	log_k		70.9861
	-delta_H	-392.055	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-3.1102e1 -1.0003e-2 2.1338e4 1.3534e1 3.3296e2
#	Range		0-300
	-Vm		45.94 # Webelements.com
#	Extrapol	Cp integration
#	Ref		CWM89


K-Feldspar
	KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
	log_k		-0.2753
	-delta_H	-23.9408	kJ/mol
#	deltafH		-949.188	kcal/mol
	-analytic	-1.0684 1.3111e-2 1.1671e4 -9.9129 -1.5855e6
#	Range		0-350
	-Vm		108.87
#	Extrapol	supcrt92
#	Ref		HDN+78

K2O
	K2O + 2 H+ = H2O + 2 K+
	log_k		84.0405
	-delta_H	-427.006	kJ/mol
#	deltafH		-86.8		kcal/mol
	-analytic	-1.8283e1 -5.2255e-3 2.3184e4 1.0553e1 3.6177e2
#	Range		0-350
	-Vm		40.085 # gfw/density
#	Extrapol	supcrt92
#	Ref		HDN+78

KAl(SO4)2
	KAl(SO4)2 = Al+3 + K+ + 2 SO4-2
	log_k		3.3647
	-delta_H	-139.485	kJ/mol
#	deltafH		-2470.29	kJ/mol
	-analytic	-4.2785e2 -1.6303e-1 1.5311e4 1.7312e2 2.3904e2
#	Range		0-300
	-Vm		146.71 # gfw/density
#	Extrapol	Cp integration
#	Ref		RHF79

Kalsilite
	KAlSiO4 + 4 H+ = Al+3 + K+ + SiO2 + 2 H2O
	log_k		10.8987
	-delta_H	-108.583	kJ/mol
#	deltafH		-509.408	kcal/mol
	-analytic	-6.7595 -7.4301e-3 6.5380e3 1.8999e-1 -2.2880e5
#	Range		0-350
	-Vm		59.89
#	Extrapol	supcrt92
#	Ref		HDN+78

Kaolinite
	Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 SiO2 + 5 H2O
	log_k		6.8101
	-delta_H	-151.779	kJ/mol
#	deltafH		-982.221	kcal/mol
	-analytic	1.6835e1 -7.8939e-3 7.7636e3 -1.2190e1 -3.2354e5
#	Range		0-350
	-Vm		99.52
#	Extrapol	supcrt92
#	Ref		HDN+78 differ by 1.6 log K at 0C, 0.4 log K at 350C

KerogenC128
	C128H68O7 + 141.5 O2 = 128 CO2 + 34 H2O
	log_k		10740.654
	-delta_H	-14623.902	kcal/mol
	-analytic	23405.37 -54.726 0 0 0 0.041
#	Range		0-350
	-Vm		1320.7
#	Extrapol	supcrt92
#	Ref		RH98, Hel+09

KerogenC292
	C292H288O12 + 358 O2 = 292 CO2 + 144 H2O
	log_k		27153.69
	-delta_H	-36994.127	kcal/mol
	-analytic	59184.26 -138.37 0 0 0 0.10
#	Range		0-350
	-Vm		3398.2
#	Extrapol	supcrt92
#	Ref		RH98, Hel+09

KerogenC515
	C515H596O72 + 628 O2 = 515 CO2 + 298 H2O
	log_k		48112.16
	-delta_H 	-65346.703	kcal/mol
	-analytic	104660.55 -244.27 0 0 0 0.183
#	Range		0-350
	-Vm		6989.3
#	Extrapol	supcrt92
#	Ref		RH98, Hel+09

Kyanite
	Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
	log_k		15.6740
	-delta_H	-230.919	kJ/mol
#	deltafH		-616.897	kcal/mol
	-analytic	-7.3335e1 -3.2853e-2 1.2166e4 2.3412e1 1.8986e2
#	Range		0-175
	-Vm		44.09
#	Extrapol	supcrt92
#	Ref		HDN+78

Larnite
	Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O
	log_k		38.4665
	-delta_H	-227.061	kJ/mol
#	deltafH		-551.74		kcal/mol
	-analytic	2.6900e1 -2.1833e-3 1.0900e4 -9.5257 -7.2537e4
#	Range		0-300
	-Vm		51.6 # HDN+78
#	Extrapol	Cp integration
#	Ref		82sar/bar

Lawrencite
	FeCl2 = Fe+2 + 2 Cl-
	log_k		9.0945
	-delta_H	-84.7665	kJ/mol
#	deltafH		-341.65		kJ/mol
	-analytic	-2.2798e2 -8.1819e-2 9.2620e3 9.3097e1 1.4459e2
#	Range		0-300
	-Vm		40.31 # Webmineral.com
#	Extrapol	Cp integration
#	Ref		RHF79

Lawsonite
	CaAl2Si2O7(OH)2:H2O + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 6 H2O
	log_k		22.2132
	-delta_H	-244.806	kJ/mol
#	deltafH		-1158.1		kcal/mol
	-analytic	1.3995e1 -1.7668e-2 1.0119e4 -8.3100 1.5789e2
#	Range		0-350
	-Vm		101.32
#	Extrapol	supcrt92
#	Ref		HDN+78

Li
	Li + H+ +0.25 O2 = 0.5 H2O + Li+
	log_k		72.7622
	-delta_H	-418.339	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-1.0227e2 -1.8118e-2 2.6262e4 3.8056e1 -1.6166e5
#	Range		0-300
	-Vm		13.017 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		CWM89

Lime
	CaO + 2 H+ = Ca+2 + H2O
	log_k		32.5761
	-delta_H	-193.832	kJ/mol
#	deltafH		-151.79		kcal/mol
	-analytic	-7.2686e1 -1.7654e-2 1.2199e4 2.8128e1 1.9037e2
#	Range		0-350
	-Vm		16.764
#	Extrapol	supcrt92
#	Ref		HDN+78

Linnaeite
	Co3S4 + 4 H+ = Co+2 + 2 Co+3 + 4 HS-
	log_k		-106.9017
	-delta_H	420.534		kJ/mol
#	deltafH		-85.81		kcal/mol
	-analytic	-6.0034e2 -2.0179e-1 -9.2145e3 2.3618e2 -1.4361e2
#	Range		0-300
	-Vm		63.55 # Webmineral.com
#	Extrapol	Cp integration
#	Ref		78vau/cra

Lizardite
	Mg3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O
	log_k		30.560
	-analytic	7.886e1 -2.108e-1 0 0 0 1.637e-4
#	Range		0-300
	-Vm		107.31
#	Extrapol	supcrt92
#	Ref		Wilson+06

Lopezite
	K2Cr2O7 + H2O =  2 CrO4-2 + 2 H+ + 2 K+
	log_k		-17.4366
	-delta_H	81.9227		kJ/mol
#	deltafH		-493.003	kcal/mol
	-analytic	7.8359e1 -2.2908e-2 -9.3812e3 -2.3245e1 -1.5933e2
#	Range		0-200
	-Vm		109.93 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H Approx
#	Ref		76del/hal

Magnesiochromite
	MgCr2O4 + 8 H+ = Mg+2 + 2 Cr+3 + 4 H2O
	log_k		21.6927
	-delta_H	-302.689	kJ/mol
#	deltafH		-1783.6		kJ/mol
	-analytic	-1.7376e2 -8.7429e-3 2.1600e4 5.0762e1 3.6685e2
#	Range		0-200
	-Vm		43.564 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H Approx
#	Ref		WEP+82

Magnesite
	MgCO3 + H+ = HCO3- + Mg+2
	log_k		2.2936
	-delta_H	-44.4968	kJ/mol
#	deltafH		-265.63		kcal/mol
	-analytic	-1.6665e2 -4.9469e-2 6.4344e3 6.5506e1 1.0045e2
#	Range		0-350
	-Vm		28.018
#	Extrapol	supcrt92
#	Ref		HDN+78

Magnetite
	Fe3O4 + 8 H+ = Fe+2 + 2 Fe+3 + 4 H2O
	log_k		10.4724
	-delta_H	-216.597	kJ/mol
#	deltafH		-267.25		kcal/mol
	-analytic	-3.0510e2 -7.9919e-2 1.8709e4 1.1178e2 2.9203e2
#	Range		0-350
	-Vm		44.524
#	Extrapol	supcrt92
#	Ref		HDN+78

Malachite
	Cu2CO3(OH)2 + 3 H+ = HCO3- + 2 Cu+2 + 2 H2O
	log_k		5.9399
	-delta_H	-76.2827	kJ/mol
#	deltafH		-251.9		kcal/mol
	-analytic	-2.7189e2 -6.9454e-2 1.1451e4 1.0511e2 1.7877e2
#	Range		0-350
	-Vm		54.86
#	Extrapol	supcrt92
#	Ref		HDN+78

Manganosite
	MnO + 2 H+ = H2O + Mn+2
	log_k		17.9240
	-delta_H	-121.215	kJ/mol
#	deltafH		-92.07		kcal/mol
	-analytic	-8.4114e1 -1.8490e-2 8.7792e3 3.1561e1 1.3702e2
#	Range		0-350
	-Vm		13.221
#	Extrapol	supcrt92
#	Ref		HDN+78

Margarite
	CaAl4Si2O10(OH)2 + 14 H+ = Ca+2 + 2 SiO2 + 4 Al+3 + 8 H2O
	log_k		41.0658
	-delta_H	-522.192	kJ/mol
#	deltafH		-1485.8		kcal/mol
	-analytic	-2.3138e2 -8.2788e-2 3.0154e4 7.9148e1 4.7060e2
#	Range		0-350
	-Vm		129.4
#	Extrapol	supcrt92
#	Ref		HDN+78 differ by 3.3 log K at 0C, 1.1 log K at 350C

Maximum_Microcline
	KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
	log_k		-0.2753
	-delta_H	-23.9408	kJ/mol
#	deltafH		-949.188	kcal/mol
	-analytic	-9.4387 1.3561e-2 1.2656e4 -7.4925 -1.6795e6
#	Range		0-350
	-Vm		108.741
#	Extrapol	supcrt92
#	Ref		HDN+78

Mayenite
	Ca12Al14O33 + 66 H+ = 12 Ca+2 + 14 Al+3 + 33 H2O
	log_k		494.2199
	-delta_H	-4056.77	kJ/mol
#	deltafH		-4644		kcal/mol
	-analytic	-1.4778e3 -2.9898e-1 2.4918e5 4.9518e2 4.2319e3
#	Range		0-200
	-Vm		517.41 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		82sar/bar

Melanterite
	FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O
	log_k		-2.3490
	-delta_H	11.7509		kJ/mol
#	deltafH		-3014.48	kJ/mol
	-analytic	-2.6230e2 -7.2469e-2 6.5854e3 1.0484e2 1.0284e2
#	Range		0-300
	-Vm		146.48 # Marion+08
#	Extrapol	Cp integration
#	Ref		RHF79

Merwinite
	MgCa3(SiO4)2 + 8 H+ = Mg+2 + 2 SiO2 + 3 Ca+2 + 4 H2O
	log_k		68.5140
	-delta_H	-430.069	kJ/mol
#	deltafH		-1090.8		kcal/mol
	-analytic	-2.2524e2 -4.2525e-2 3.5619e4 7.9984e1 -9.8259e5
#	Range		0-350
	-Vm		104.4
#	Extrapol	supcrt92
#	Ref		HDN+78

Mg
	Mg + 2 H+ + 0.5 O2 = H2O + Mg+2
	log_k		122.5365
	-delta_H	-745.731	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-6.5988e1 -1.9356e-2 4.0318e4 2.3862e1 6.2914e2
#	Range		0-300
	-Vm		13.996 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		CWM89

MgOHCl
	MgOHCl + H+ = Cl- + H2O + Mg+2
	log_k		15.9138
	-delta_H	-118.897	kJ/mol
#	deltafH		-191.2		kcal/mol
	-analytic	-1.6614e2 -4.9715e-2 1.0311e4 6.5578e1 1.6093e2
#	Range		0-300
	-Vm		33.23 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		73bar/kna

MgSO4
	MgSO4 = Mg+2 + SO4-2
	log_k		4.8781
	-delta_H	-90.6421	kJ/mol
#	deltafH		-1284.92	kJ/mol
	-analytic	-2.2439e2 -7.9688e-2 9.3058e3 8.9622e1 1.4527e2
#	Range		0-300
	-Vm		45.25 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Millerite
	NiS + H+ = HS- + Ni+2
	log_k		-8.0345
	-delta_H	12.089		kJ/mol
#	deltafH		-82.171		kJ/mol
	-analytic	-1.4848e2 -4.8834e-2 2.6981e3 5.8976e1 4.2145e1
#	Range		0-300
	-Vm		16.89 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Minnesotaite
	Fe3Si4O10(OH)2 + 6 H+ = 3 Fe+2 + 4 H2O + 4 SiO2
	log_k		13.9805
	-delta_H	-105.211	kJ/mol
#	deltafH		-1153.37	kcal/mol
	-analytic	-1.8812e1 1.7261e-2 1.9804e4 -6.4410 -2.0433e6
#	Range		0-300
	-Vm		147.86 # HDN+78
#	Extrapol	Cp integration
#	Ref		78wol, Wilson+06 differ by 2.6 log K at 0C, 1.6 log K at 350C

Mirabilite
	Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O
	log_k		-1.1398
	-delta_H	79.4128		kJ/mol
#	deltafH		-4328		kJ/mol
	-analytic	-2.1877e2 -3.6692e-3 5.9214e3 8.0361e1 1.0063e2
#	Range		0-200
	-Vm		219.80 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		RHF79

Mn
	Mn + 2 H+ + 0.5 O2 = H2O + Mn+2
	log_k		82.9505
	-delta_H	-500.369	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-6.5558e1 -2.0429e-2 2.7571e4 2.5098e1 4.3024e2
#	Range		0-300
	-Vm		7.354 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		RHF79

Mn(OH)2(am)
	Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
	log_k		15.3102
	-delta_H	-97.1779	kJ/mol
#	deltafH		-695.096	kJ/mol
	-analytic	-7.8518e1 -7.5357e-3 8.0198e3 2.7955e1 1.3621e2
#	Range		0-200
	-Vm		22.36 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

MnCl2:2H2O
	MnCl2:2H2O = Mn+2 + 2 Cl- + 2 H2O
	log_k		4.0067
	-delta_H	-34.4222	kJ/mol
#	deltafH		-1092.01	kJ/mol
	-analytic	-6.2823e1 -2.3959e-2 2.9931e3 2.5834e1 5.0850e1
#	Range		0-200
	-Vm		71.12 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

MnCl2:4H2O
	MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O
	log_k		2.7563
	-delta_H	-10.7019	kJ/mol
#	deltafH		-1687.41	kJ/mol
	-analytic	-1.1049e2 -2.3376e-2 4.0458e3 4.3097e1 6.8742e1
#	Range		0-200
	-Vm		98.46 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

MnCl2:H2O
	MnCl2:H2O = H2O + Mn+2 + 2 Cl-
	log_k		5.5517
	-delta_H	-50.8019	kJ/mol
#	deltafH		-789.793	kJ/mol
	-analytic	-4.5051e1 -2.5923e-2 2.8739e3 1.9674e1 4.8818e1
#	Range		0-200
	-Vm		42.27 # gfw/density
#	Extrapol	Constant H approx
#	Ref		WEP+82

MnSO4
	MnSO4 = Mn+2 + SO4-2
	log_k		2.6561
	-delta_H	-64.8718	kJ/mol
#	deltafH		-1065.33	kJ/mol
	-analytic	-2.3088e2 -8.2694e-2 8.1653e3 9.3256e1 1.2748e2
#	Range		0-300
	-Vm		46.46 # gfw/density
#	Extrapol	Cp integration
#	Ref		RHF79

Mo
	Mo + 1.5 O2 + H2O = MoO4-2 + 2 H+
	log_k		109.3230
	-delta_H	-693.845	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-2.0021e2 -8.3006e-2 4.1629e4 8.0219e1 -3.4570e5
#	Range		0-300
	-Vm		9.387 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		RHF79

Molysite
	FeCl3 = Fe+3 + 3 Cl-
	log_k		13.5517
	-delta_H	-151.579	kJ/mol
#	deltafH		-399.24		kJ/mol
	-analytic	-3.1810e2 -1.2357e-1 1.3860e4 1.3010e2 2.1637e2
#	Range		0-300
	-Vm		55.86 # Webmineral.com
#	Extrapol	Cp integration
#	Ref		RHF79

Monohydrocalcite
	CaCO3:H2O + H+ = Ca+2 + H2O + HCO3-
	log_k		2.6824
	-delta_H	-20.5648	kJ/mol
#	deltafH		-1498.29	kJ/mol
	-analytic	-7.2614e1 -1.7217e-2 3.1850e3 2.8185e1 5.4111e1
#	Range		0-200
	-Vm		49.62 # Webmineral.com
#	Extrapol	Constant H approx
#	Ref		RHF79

Monticellite
	CaMgSiO4 + 4 H+ = Ca+2 + Mg+2 + SiO2 + 2 H2O
	log_k		29.5852
	-delta_H	-195.711	kJ/mol
#	deltafH		-540.8		kcal/mol
	-analytic	1.5730e1 -3.5567e-3 9.0789e3 -6.3007 1.4166e2
#	Range		0-300
	-Vm		51.47
#	Extrapol	supcrt92
#	Ref		HDN+78

Montmor-Ca
	Ca.175Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.175 Ca+2 + 0.35 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
	log_k		2.4952
	-delta_H	-100.154	kJ/mol
#	deltafH		-1361.5		kcal/mol
	-analytic	2.459e1	-9.080e-2 0 0 0 5.223e-5
#	Range		0-300
	-Vm		136.007
#	Extrapol	supcrt92, Cp integration
#	Ref		Catalano13, 88db 3 match

Montmor-K
	K.35Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.35 K+ + 0.35 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
	log_k		2.1423
	-delta_H	-88.184		kJ/mol
#	deltafH		-1362.83	kcal/mol
	-analytic	2.022e1	-7.624e-2 0 0 0	4.102e-5
#	Range		0-300
	-Vm		140.140
#	Extrapol	supcrt92, Cp integration
#	Ref		Catalano13, 88db 3 match

Montmor-Mg
	Mg.525Al1.65Si4O10(OH)2 + 6 H+ = 0.525 Mg+2 + 1.65 Al+3 + 4 H2O + 4 SiO2
	log_k		2.3879
	-delta_H	-102.608	kJ/mol
#	deltafH		-1357.87	kcal/mol
	-analytic	2.381e1 -9.031e-2 0 0 0 5.203e-5
#	Range		0-300
	-Vm		135.042
#	Extrapol	supcrt92, Cp integration
#	Ref		Catalano13, 88db 3 match

Montmor-Na
	Na.35Mg.35Al1.65Si4O10(OH)2 + 6 H+ = 0.35 Mg+2 + 0.35 Na+ + 1.65 Al+3 + 4 H2O + 4 SiO2
	log_k		2.4844
	-delta_H	-93.2165	kJ/mol
#	deltafH		-1360.69	kcal/mol
	-analytic	2.348e1	-8.604e-2 0 0 0 4.951e-5
#	Range		0-300
	-Vm		137.449
#	Extrapol	supcrt92, Cp integration
#	Ref		Catalano13, 88db 3 match, but differ from Wilson+06 by 3.4 log K at 0C, 1.7 log K at 300C

Morenosite
	NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O
	log_k		-2.0140
	-delta_H	12.0185		kJ/mol
#	deltafH		-2976.46	kJ/mol
	-analytic	-2.6654e2 -7.2132e-2 6.7983e3 1.0636e2 1.0616e2
#	Range		0-300
	-Vm		144.17 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Muscovite
	KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 SiO2 + 6 H2O
	log_k		13.5858
	-delta_H	-243.224	kJ/mol
#	deltafH		-1427.41	kcal/mol
	-analytic	3.3085e1 -1.2425e-2 1.2477e4 -2.0865e1 -5.4692e5
#	Range		0-350
	-Vm		140.71
#	Extrapol	supcrt92
#	Ref		HDN+78

Na
	Na + H+ + 0.25 O2 = 0.5 H2O + Na+
	log_k		67.3804
	-delta_H	-380.185	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-4.0458e1 -8.7899e-3 2.1223e4 1.5927e1 -1.2715e4
#	Range		0-300
	-Vm		23.812 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		CWM89

Na2CO3
	Na2CO3 + H+ = HCO3- + 2 Na+
	log_k		11.1822
	-delta_H	-39.8526	kJ/mol
#	deltafH		-1130.68	kJ/mol
	-analytic	-1.5495e2 -4.3374e-2 6.4821e3 6.3571e1 1.0119e2
#	Range		0-300
	-Vm		41.86 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Na2CO3:7H2O
	Na2CO3:7H2O + H+ = HCO3- + 2 Na+ + 7 H2O
	log_k		9.9459
	-delta_H	27.7881		kJ/mol
#	deltafH		-3199.19	kJ/mol
	-analytic	-2.0593e2 -3.4509e-3 8.1601e3 7.6594e1 1.3864e2
#	Range		0-200
	-Vm		153.71 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

Na2Cr2O7
	Na2Cr2O7 + H2O = 2 CrO4-2 + 2 H+ + 2 Na+
	log_k		-10.1597
	-delta_H	21.9702		kJ/mol
#	deltafH		-473		kcal/mol
	-analytic	4.4885e1 -2.4919e-2 -5.0321e3 -1.2430e1 -8.5468e1
#	Range		0-200
	-Vm		103.96 # gfw/density
#	Extrapol	Constant H approx
#	Ref		76del/hal

Na2CrO4
	Na2CrO4 = CrO4-2 + 2 Na+
	log_k		2.9103
	-delta_H	-19.5225	kJ/mol
#	deltafH		-320.8		kcal/mol
	-analytic	5.4985 -9.9008e-3 1.0510e2
#	Range		0-200
	-Vm		59.48 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		76del/hal

Na2O
	Na2O + 2 H+ = H2O + 2 Na+
	log_k		67.4269
	-delta_H	-351.636	kJ/mol
#	deltafH		-99.14		kcal/mol
	-analytic	-6.3585e1 -8.4695e-3 2.0923e4 2.5601e1 3.2651e2
#	Range		0-350
	-Vm		25
#	Extrapol	supcrt92
#	Ref		HDN+78

Na2SiO3
	Na2SiO3 + 2 H+ = H2O + SiO2 + 2 Na+
	log_k		22.2418
	-delta_H	-82.7093	kJ/mol
#	deltafH		-373.19		kcal/mol
	-analytic	-3.4928e1 5.6905e-3 1.0284e4 1.1197e1 -6.0134e5
#	Range		0-300
	-Vm		50.86 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		73bar/kna

Na2U2O7
	Na2U2O7 + 6 H+ = 2 Na+ + 2 UO2+2 + 3 H2O
	log_k		22.5917
	-delta_H	-172.314	kJ/mol
#	deltafH		-3203.8		kJ/mol
	-analytic	-8.6640e1 -1.0903e-2 1.1841e4 2.9406e1 1.8479e2
#	Range		0-300
	-Vm		95.34 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		92gre/fug

NaFeO2
	NaFeO2 + 4 H+ = Fe+3 + Na+ + 2 H2O
	log_k		19.8899
	-delta_H	-163.339	kJ/mol
#	deltafH		-698.218	kJ/mol
	-analytic	-7.0047e1 -9.6226e-3 1.0647e4 2.3071e1 1.8082e2
#	Range		0-200
	-Vm		33.48 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

NaUO3
	NaUO3 + 2 H+ = H2O + Na+ + UO2+
	log_k		8.3371
	-delta_H	-56.365		kJ/mol
#	deltafH		-1494.9		kJ/mol
	-analytic	-3.6363e1 7.0505e-4 4.5359e3 1.1828e1 7.0790e1
#	Range		0-300
	-Vm		42.56 # gfw/density
#	Extrapol	Cp integration
#	Ref		92gre/fug

Nahcolite
	NaHCO3 = HCO3- + Na+
	log_k		-0.1118
	-delta_H	17.0247		kJ/mol
#	deltafH		-226.4		kcal/mol
	-analytic	-2.2282e2 -5.9693e-2 5.4887e3 8.9744e1 8.5712e1
#	Range		0-300
	-Vm		38.62 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		73bar/kna

Nantokite
	CuCl = Cl- + Cu+
	log_k	-6.7623
	-delta_H	41.9296		kJ/mol
#	deltafH		-137.329	kJ/mol
	-analytic	-2.2442e1 -1.1201e-2 -1.8709e3 1.0221e1 -3.1763e1
#	Range		0-200
	-Vm		23.92 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

Natron
	Na2CO3:10H2O + H+ = HCO3- + 2 Na+ + 10 H2O
	log_k		9.6102
	-delta_H	50.4781		kJ/mol
#	deltafH		-4079.39	kJ/mol
	-analytic	-1.9981e2 -2.9247e-2 5.2937e3 8.0973e1 8.2662e1
#	Range		0-300
	-Vm		195.99 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Natrosilite
	Na2Si2O5 + 2 H+ = H2O + 2 Na+ + 2 SiO2
	log_k		18.1337
	-delta_H	-51.7686	kJ/mol
#	deltafH		-590.36		kcal/mol
	-analytic	-2.7628e1 1.6865e-2 1.3302e4 4.2356 -1.2828e6
#	Range		0-300
	-Vm		72.57 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		77bar/kna

Nepheline
	NaAlSiO4 + 4 H+ = Al+3 + Na+ + SiO2 + 2 H2O
	log_k		13.8006
	-delta_H	-135.068	kJ/mol
#	deltafH		-500.241	kcal/mol
	-analytic	-2.4856e1 -8.8171e-3 8.5653e3 6.0904 -2.2786e5
#	Range		0-350
	-Vm		54.16
#	Extrapol	supcrt92
#	Ref		HDN+78

Nesquehonite
	MgCO3:3H2O + H+ = HCO3- + Mg+2 + 3 H2O
	log_k		4.9955
	-delta_H	-36.1498	kJ/mol
#	deltafH		-472.576	kcal/mol
	-analytic	1.3771e2 -6.0397e-2 -3.5049e4 -1.8831e1 4.4213e6
#	Range		0-50
	-Vm		74.79
#	Extrapol	supcrt92
#	Ref		HDN+78

NH4Cl 
	NH4Cl = NH4+ + Cl-
	log_k		1.3252
	-analytic	-3.078 1.550e-2 0 0 0 -3.451e-6  
#	Range		0-30
	-Vm		34.96
#	Extrapol	Marion+12
#	Ref		Marion+12, WangLi11 match 

NH4-feldspar # Buddingtonite (sometimes with +0.5 H2O, especially at low temp)
	NH4AlSi3O8 + 4H+ = NH4+ + Al+3 + 3 SiO2 + 2 H2O
	log_k		-2.7243
	-analytic	-7.434e1 3.080e-1 0 0 0 -2.270e-4
#	Range		25-325
	-Vm		114.78 # Webmineral.com (Hovis04: 109.08-112.23)
#	Extrapol	N17
#	Ref		Wat81

NH4HCO3
	NH4HCO3 = NH4+ + HCO3-
	log_k		-0.0207
	-analytic	-1.587e1 9.703e-2 0 0 0 -1.472e-4
#	Range		0-40
	-Vm		50.04
#	Extrapol	Marion+12
#	Ref		Marion+12

NH4-muscovite # Tobelite
	NH4Al3Si3O10(OH)2 + 10 H+ = NH4+ + 3 Al+3 + 3 SiO2 + 6 H2O
	log_k		6.8109
	-analytical	-6.638e1 3.170e-1 0 0 0 -2.386e-4
#	Range		25-325
	-Vm		146.07 # Hovis04
#	Extrapol	N17
#	Ref		Wat81

Ni
	Ni + 2 H+ + 0.5 O2 = H2O + Ni+2
	log_k		50.9914
	-delta_H	-333.745	kJ/mol
#	deltafH		0		kcal/mol
	-analytic	-5.8308e1 -2.0133e-2 1.8444e4 2.1590e1 2.8781e2
#	Range		0-350
	-Vm		6.588
#	Extrapol	supcrt92
#	Ref		HDN+78

Ni(OH)2
	Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O
	log_k		12.7485
	-delta_H	-95.6523	kJ/mol
#	deltafH		-529.998	kJ/mol
	-analytic	-6.5279e1 -5.9499e-3 7.3471e3 2.2290e1 1.2479e2
#	Range		0-200
	-Vm		22.34 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

Ni2SiO4
	Ni2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Ni+2
	log_k		14.3416
	-delta_H	-127.629	kJ/mol
#	deltafH		-341.705	kcal/mol
	-analytic	-4.0414e1 -1.1194e-2 9.6515e3 1.2026e1 -3.6336e5
#	Range		0-300
	-Vm		42.61 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		74nau/ryz

NiCl2
	NiCl2 = Ni+2 + 2 Cl-
	log_k		8.6113
	-delta_H	-82.7969	kJ/mol
#	deltafH		-305.336	kJ/mol
	-analytic	-1.2416 -2.3139e-2 2.6529e3 3.1696 4.5052e1
#	Range		0-200
	-Vm		36.70 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

NiCl2:2H2O
	NiCl2:2H2O = Ni+2 + 2 Cl- + 2 H2O
	log_k		3.9327
	-delta_H	-37.6746	kJ/mol
#	deltafH		-922.135	kJ/mol
	-analytic	-4.8814e1 -2.2602e-2 2.5951e3 2.0518e1 4.4086e1
#	Range		0-200
	-Vm		64.07 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

NiSO4
	NiSO4 = Ni+2 + SO4-2
	log_k		5.3197
	-delta_H	-90.5092	kJ/mol
#	deltafH		-873.066	kJ/mol
	-analytic	-1.8878e2 -7.6403e-2 7.9412e3 7.6866e1 1.2397e2
#	Range		0-300
	-Vm		42.05 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

NiSO4:6H2O(alpha)
	NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O
	log_k		-2.0072
	-delta_H	4.37983		kJ/mol
#	deltafH		-2682.99	kJ/mol
	-analytic	-1.1937e2 -1.3785e-2 4.1543e3 4.3454e1 7.0587e1
#	Range		0-200
	-Vm		126.6 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

Nickelbischofite
	NiCl2:6H2O = Ni+2 + 2 Cl- + 6 H2O
	log_k		3.1681
	-delta_H	0.064088	kJ/mol
#	deltafH		-2103.23	kJ/mol
	-analytic	-1.4340e2 -2.1257e-2 5.1858e3 5.4759e1 8.8112e1
#	Range		0-200
	-Vm		123.15 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

Ningyoite
	CaUP2O8:2H2O + 2 H+ = Ca+2 + U+4 + 2 H2O + 2 HPO4-2
	log_k		-29.7931
	-delta_H	-36.4769	kJ/mol
#	deltafH		-1016.65	kcal/mol
	-analytic	-1.0274e2 -4.9041e-2 1.7779e3 3.2973e1 3.0227e1
#	Range		0-200
	-Vm		116.77 # Webmineral.com
#	Extrapol	Constant H approx
#	Ref		78lan

Niter
	KNO3 = K+ + NO3-
	log_k		-0.2061
	-delta_H	35.4794		kJ/mol
#	deltafH		-494.46		kJ/mol
	-analytic	-6.5607e1 -2.8165e-2 -4.0131e2 3.0361e1 -6.2425
#	Range		0-300
	-Vm		48.04 # Marion+05
#	Extrapol	Cp integration
#	Ref		RHF79

Nontronite-Ca
	Ca.175Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
	log_k		-11.5822
	-delta_H	-38.138		kJ/mol
#	deltafH		-1166.7		kcal/mol
	-analytic	3.697 -4.892e-2 0 0 0 1.489e-5
#	Range		0-300
	-Vm		137.780
#	Extrapol	supcrt92, Cp integration
#	Ref		Catalano13, 78wol differ by 2.6 log K at 0C, 0.2 log K at 300C

Nontronite-K
	K.35Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.35 Al+3 + 0.35 K+ + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
	log_k		-11.8648
	-delta_H	-26.5822	kJ/mol
#	deltafH		-1167.93	kcal/mol
	-analytic	-1.959 -3.115e-2 0 0 0 1.139e-6
#	Range		0-300
	-Vm		141.913
#	Extrapol	supcrt92, Cp integration
#	Ref		Catalano13, 78wol differ by 1.1 log K at 0C, 0.5 log K at 300C

Nontronite-Mg
	Mg.175Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.175 Mg+2 + 0.35 Al+3 + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
	log_k		-11.6200
	-delta_H	-41.1779	kJ/mol
#	deltafH		-1162.93	kcal/mol
	-analytic	2.476 -4.730e-2 0 0 0 1.382e-5
#	Range		0-300
	-Vm		136.815
#	Extrapol	supcrt92, Cp integration
#	Ref		Catalano13, 78wol

Nontronite-Na
	Na.35Fe2Al.35Si3.65H2O12 + 7.4 H+ = 0.35 Al+3 + 0.35 Na+ + 2 Fe+3 + 3.65 SiO2 + 4.7 H2O
	log_k		-11.5263
	-delta_H	-31.5687	kJ/mol
#	deltafH		-1165.8		kcal/mol
	-analytic	1.106 -4.045e-2 0 0 0 9.229e-6
#	Range		0-300
	-Vm		139.221
#	Extrapol	supcrt92, Cp integration
#	Ref		Catalano13, 78wol differ by 1.7 log K at 0C, 0.2 log K at 300C

Okenite
	CaSi2O4(OH)2:H2O + 2 H+ = Ca+2 + 2 SiO2 + 3 H2O
	log_k		10.3816
	-delta_H	-19.4974	kJ/mol
#	deltafH		-749.641	kcal/mol
	-analytic	-7.7353e1 1.5091e-2 1.3023e4 2.1337e1 -1.1831e6
#	Range		0-300
	-Vm		94.77 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		82sar/bar

P
	P + 1.5 H2O + 1.25 O2 = HPO4-2 + 2 H+
	log_k		132.1032
	-delta_H	-848.157	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-9.2727e1 -6.8342e-2 4.3465e4 4.0156e1 6.7826e2
#	Range		0-300
	-Vm		17.2 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		CWM89

Paragonite
	NaAl3Si3O10(OH)2 + 10 H+ = Na+ + 3 Al+3 + 3 SiO2 + 6 H2O
	log_k		17.5220
	-delta_H	-275.056	kJ/mol
#	deltafH		-1416.96	kcal/mol
	-analytic	3.5507e1 -1.0720e-2 1.3519e4 -2.2283e1 -4.5657e5
#	Range		0-350
	-Vm		132.53
#	Extrapol	supcrt92
#	Ref		HDN+78, differ by 2.5 log K at 0C, 0.6 log K at 350C, but match Wilson+06

Pargasite
	NaCa2Al3Mg4Si6O22(OH)2 + 22 H+ = Na+ + 2 Ca+2 + 3 Al+3 + 4 Mg+2 + 6 SiO2 + 12 H2O
	log_k		101.9939
	-delta_H	-880.205	kJ/mol
#	deltafH		-3016.62	kcal/mol
	-analytic	-6.7889e1 -3.7817e-2 5.0493e4 9.2705 -1.0163e6
#	Range		0-350
	-Vm		273.5
#	Extrapol	supcrt92
#	Ref		HDN+78

Periclase
	MgO + 2 H+ = H2O + Mg+2
	log_k		21.3354
	-delta_H	-150.139	kJ/mol
#	deltafH		-143.8		kcal/mol
	-analytic	-8.8465e1 -1.8390e-2 1.0414e4 3.2469e1 1.6253e2
#	Range		0-350
	-Vm		11.248
#	Extrapol	supcrt92
#	Ref		HDN+78

Petalite
	LiAlSi4O10 + 4 H+ = Al+3 + Li+ + 2 H2O + 4 SiO2
	log_k		-3.8153
	-delta_H	-13.1739	kJ/mol
#	deltafH		-4886.15	kJ/mol
	-analytic	-6.6355 2.4316e-2 1.5949e4 -1.3341e1 -2.2265e6
#	Range		0-300
	-Vm		128.4 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Phlogopite
	KAlMg3Si3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Mg+2 + 3 SiO2 + 6 H2O
	log_k		37.4400
	-delta_H	-310.503	kJ/mol
#	deltafH		-1488.07	kcal/mol
	-analytic	-8.7730e1 -1.7253e-2 2.3748e4 2.4465e1 -8.9045e5
#	Range		0-350
	-Vm		149.66
#	Extrapol	supcrt92
#	Ref		HDN+78

Polydymite
	Ni3S4 + 2 H+ = S2-2 + 2 HS- + 3 Ni+2
	log_k		-48.9062
#	deltafH		-78.014		kcal/mol
	-analytic	-1.8030e1 -4.6945e-2 -1.1557e4 8.8339 -1.9625e2
#	Range		0-200
	-Vm		64.14 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		78vau/cra

Portlandite
	Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O
	log_k		22.5552
	-delta_H	-128.686	kJ/mol
#	deltafH		-986.074	kJ/mol
	-analytic	-8.3848e1 -1.8373e-2 9.3154e3 3.2584e1 1.4538e2
#	Range		0-300
	-Vm		33.056 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		RHF79

Prehnite
	Ca2Al2Si3O10(OH)2 + 10 H+ = 2 Al+3 + 2 Ca+2 + 3 SiO2 + 6 H2O
	log_k		32.9305
	-delta_H	-311.875	kJ/mol
#	deltafH		-1481.65	kcal/mol
	-analytic	-3.5763e1 -2.1396e-2 2.0167e4 6.3554 -7.4967e5
#	Range		0-350
	-Vm		140.33
#	Extrapol	supcrt92
#	Ref		HDN+78

Pseudowollastonite
	CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2
	log_k		13.9997
	-delta_H	-79.4625	kJ/mol
#	deltafH		-388.9		kcal/mol
	-analytic	2.6691e1 6.3323e-3 5.5723e3 -1.1822e1 -3.6038e5
#	Range		0-300
	-Vm		40.08 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		77bar/kna

Pyridine
	C5H5N + 6.25 O2 = 5 CO2 + 2.5 H2O + 0.5 N2
	log_k		490.7474
	-delta_H	-669.9574	kcal/mol
	-analytic	1071.04 -2.50773 0 0 0 0.00188
#	Range		0-350
	-Vm		64.4
#	Extrapol	supcrt92
#	Ref		Hel+98

Pyrite
	FeS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Fe+2 + 1.75 HS-
	log_k		-24.6534
	-delta_H	109.535		kJ/mol
#	deltafH		-41		kcal/mol
	-analytic	-2.4195e2 -8.7948e-2 -6.2911e2 9.9248e1 -9.7454
#	Range		0-350
	-Vm		23.94
#	Extrapol	supcrt92
#	Ref		HDN+78

Pyrolusite
	MnO2 = 0.5 Mn+2 + 0.5 MnO4-2
	log_k		-17.6439
	-delta_H	83.3804		kJ/mol
#	deltafH		-520.031	kJ/mol
	-analytic	-1.1541e2 -4.1665e-2 -1.8960e3 4.7094e1 -2.9551e1
#	Range		0-300
	-Vm		18.38 # Webmineral.com
#	Extrapol	Cp integration
#	Ref		RHF79

Pyrophyllite
	Al2Si4O10(OH)2 + 6 H+ = 2 Al+3 + 4 H2O + 4 SiO2
	log_k		0.4397
	-delta_H	-102.161	kJ/mol
#	deltafH		-1345.31	kcal/mol
	-analytic	1.1066e1 1.2707e-2 1.6417e4 -1.9596e1 -1.8791e6
#	Range		0-350
	-Vm		126.6
#	Extrapol	supcrt92
#	Ref		HDN+78, Wilson+06 match

Pyrrhotite
	FeS + H+ = Fe+2 + HS-
	log_k		-3.7193
	-delta_H	-7.9496		kJ/mol
#	deltafH		-24		kcal/mol
	-analytic	-1.5785e2 -5.2258e-2 3.9711e3 6.3195e1 6.2012e1
#	Range		0-350
	-Vm		18.2
#	Extrapol	supcrt92
#	Ref		HDN+78

Quartz
	SiO2 = SiO2
	log_k		-3.9993
	-delta_H	32.949		kJ/mol
#	deltafH		-217.65		kcal/mol
	-analytic	7.7698e-2 1.0612e-2 3.4651e3 -4.3551 -7.2138e5
#	Range		0-350
	-Vm		22.68
#	Extrapol	supcrt92
#	Ref		HDN+78

Rankinite
	Ca3Si2O7 + 6 H+ = 2 SiO2 + 3 Ca+2 + 3 H2O
	log_k		51.9078
	-delta_H	-302.089	kJ/mol
#	deltafH		-941.7		kcal/mol
	-analytic	-9.6393e1 -1.6592e-2 2.4832e4 3.2541e1 -9.4630e5
#	Range		0-300
	-Vm		96.13 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		77bar/kna

Rhodochrosite
	MnCO3 + H+ = HCO3- + Mn+2
	log_k		-0.1928
	-delta_H	-21.3426	kJ/mol
#	deltafH		-212.521	kcal/mol
	-analytic	-1.6195e2 -4.9344e-2 5.0937e3 6.4402e1 7.9531e1
#	Range		0-350
	-Vm		31.075
#	Extrapol	supcrt92
#	Ref		HDN+78

Rhodonite
	MnSiO3 + 2 H+ = H2O + Mn+2 + SiO2
	log_k		9.7301
	-delta_H	-64.7121	kJ/mol
#	deltafH		-1319.42	kJ/mol
	-analytic	2.0585e1 4.9941e-3 4.5816e3 -9.8212 -3.0658e5
#	Range		0-300
	-Vm		35.87 # Webmineral.com
#	Extrapol	Cp integration
#	Ref		RHF79

Ripidolite
	Mg3Fe2Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O
	log_k		60.9638
	-delta_H	-572.472	kJ/mol
#	deltafH		-1947.87	kcal/mol
	-analytic	2.122e2 -6.025e-1 0 0 0 4.579e-4
#	Range		0-300
	-Vm		208.614
#	Extrapol	supcrt92
#	Ref		Catalano13

Rutherfordine
	UO2CO3 + H+ = HCO3- + UO2+2
	log_k		-4.1064
	-delta_H	-19.4032	kJ/mol
#	deltafH		-1689.53	kJ/mol
	-analytic	-8.8224e1 -3.1434e-2 2.6675e3 3.4161e1 4.1650e1
#	Range		0-300
	-Vm		57.90 # Webmineral.com
#	Extrapol	Cp integration
#	Ref		92gre/fug

Rutile
	TiO2 + 2 H2O = Ti(OH)4
	log_k		-9.6452
#	deltafH		-226.107	kcal/mol
	-Vm		18.82
#	Ref		RHF79

S
	S + H2O = 0.5 O2 + H+ + HS-
	log_k		-45.0980
	-delta_H	263.663		kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-8.8928e1 -2.8454e-2 -1.1516e4 3.6747e1 -1.7966e2
#	Range		0-300
	-Vm		15.511 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		CWM89

Saleeite
	Mg(UO2)2(PO4)2 + 2 H+ = Mg+2 + 2 HPO4-2 + 2 UO2+2
	log_k		-19.4575
	-delta_H	-110.816	kJ/mol
#	deltafH		-1189.61	kcal/mol
	-analytic	-6.0028e1 -4.4391e-2 3.9168e3 1.6428e1 6.6533e1
#	Range		0-200
	-Vm		285.77 # Webmineral.com
#	Extrapol	Constant H approx
#	Ref		78lan

Sanidine_high
	KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2
	log_k		0.9239
	-delta_H	-35.0284	kJ/mol
#	deltafH		-946.538	kcal/mol
	-analytic	-3.4889 1.4495e-2 1.2856e4 -9.8978 -1.6572e6
#	Range		0-350
	-Vm		109.008
#	Extrapol	supcrt92
#	Ref		HDN+78

Saponite-Fe-Ca
	Ca.175Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
	log_k		20.3624
	-analytic	5.992e1 -1.681e-1 0 0 0 1.174e-4
#	Range		0-300
	-Vm		143.506
#	Extrapol	supcrt92
#	Ref		Catalano13

Saponite-Fe-Fe
	Fe3.175Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 3.175 Fe+2 + 3.65 SiO2 + 4.7 H2O
	log_k		18.9359
	-analytic	5.762e1 -1.630e-1 0 0 0 1.099e-4
#	Range		0-300
	-Vm		142.672
#	Extrapol	supcrt92
#	Ref		Catalano13

Saponite-Fe-K
	K.35Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 K+ + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
	log_k		18.7937
	-analytic	5.427e1 -1.504e-1 0 0 0 1.037e-4
#	Range		0-300
	-Vm		147.639
#	Extrapol	supcrt92
#	Ref		Catalano13

Saponite-Fe-Mg
	Mg.175Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Mg+2 + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
	log_k		19.5290
	-analytic	5.870e1 -1.665e-1 0 0 0 1.163e-4
#	Range		0-300
	-Vm		142.541
#	Extrapol	supcrt92
#	Ref		Catalano13

Saponite-Fe-Na
	Na.35Fe3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Na+ + 0.35 Al+3 + 3 Fe+2 + 3.65 SiO2 + 4.7 H2O
	log_k		19.7977
	-analytic	5.733e1 -1.597e-1 0 0 0 1.117e-4
#	Range		0-300
	-Vm		144.947
#	Extrapol	supcrt92
#	Ref		Catalano13

Saponite-Mg-Ca
	Ca.175Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Ca+2 + 0.35 Al+3 + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
	log_k		26.2900
	-delta_H	-207.971	kJ/mol
#	deltafH		-1436.51	kcal/mol
	-analytic	8.088e1 -2.233e-1 0 0 0 1.655e-4
#	Range		0-300
	-Vm		141.250
#	Extrapol	supcrt92, Cp integration
#	Ref		Catalano13, 78wol match

Saponite-Mg-Fe
	Fe.175Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.175 Fe+2 + 0.35 Al+3 + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
	log_k		27.6789
	-analytic	7.825e1 -2.180e-1 0 0 0 1.612e-4
#	Range		0-300
	-Vm		140.416
#	Extrapol	supcrt92
#	Ref		Catalano13

Saponite-Mg-K
	K.35Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 0.35 K+ + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
	log_k		26.0075
	-delta_H	-196.402	kJ/mol
#	deltafH		-1437.74	kcal/mol
	-analytic	7.522e1 -2.055e-1 0 0 0 1.517e-4
#	Range		0-300
	-Vm		145.383
#	Extrapol	supcrt92, Cp integration
#	Ref		Catalano13, 78wol differ by 1.7 log K at 0C, 0.7 log K at 300C

Saponite-Mg-Mg
	Mg3.175Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 3.175 Mg+2 + 3.65 SiO2 + 4.7 H2O
	log_k		26.2523
	-delta_H	-210.822	kJ/mol
#	deltafH		-1432.79	kcal/mol
	-analytic	7.965e1 -2.217e-1 0 0 0 1.644e-4
#	Range		0-300
	-Vm		140.285
#	Extrapol	supcrt92, Cp integration
#	Ref		Catalano13, 78wol differ by 2.2 log K at 0C, 0.6 log K at 300C

Saponite-Mg-Na
	Na.35Mg3Al.35Si3.65O10(OH)2 + 7.4 H+ = 0.35 Al+3 + 0.35 Na+ + 3 Mg+2 + 3.65 SiO2 + 4.7 H2O
	log_k		26.3459
	-delta_H	-201.401	kJ/mol
#	deltafH		-1435.61	kcal/mol
	-analytic	7.829e1 -2.148e-1 0 0 0 1.598e-4
#	Range		0-300
	-Vm		142.691
#	Extrapol	supcrt92, Cp integration
#	Ref		Catalano13, 78wol differ by 2.4 log K at 0C, 0.7 log K at 300C

Sc
	Sc + 3 H+ + 0.75 O2 = Sc+3 + 1.5 H2O
	log_k		167.2700
	-delta_H	-1033.87	kJ/mol
#	deltafH 	0		kJ/mol
	-analytic	-6.6922e1 -2.9150e-2 5.4559e4 2.4189e1 8.5137e2
#	Range		0-300
	-Vm		15.038 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		RHF79

Scacchite
	MnCl2 = Mn+2 + 2 Cl-
	log_k		8.7785
	-delta_H	-73.4546	kJ/mol
#	deltafH		-481.302	kJ/mol
	-analytic	-2.3476e2 -8.2437e-2 9.0088e3 9.6128e1 1.4064e2
#	Range		0-300
	-Vm		42.27 # Webmineral.com
#	Extrapol	Cp integration
#	Ref		WEP+82

Schoepite
	UO3:2H2O + 2 H+ = UO2+2 + 3 H2O
	log_k		4.8333
	-delta_H	-50.415		kJ/mol
#	deltafH		-1826.1		kJ/mol
	-analytic	1.3645e1 1.0884e-2 2.5412e3 -8.3167e0 3.9649e1
#	Range		0-300
	-Vm		66.08 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		92gre/fug

Sepiolite
	Mg4Si6O15(OH)2:6H2O + 8 H+ = 4 Mg+2 + 6 SiO2 + 11 H2O
	log_k		30.4439
	-delta_H	-157.339	kJ/mol
#	deltafH		-2418		kcal/mol
	-analytic	1.8690e1 4.7544e-2 2.6765e4 -2.5301e1 -2.6498e6
#	Range		0-350
	-Vm		285.6
#	Extrapol	supcrt92
#	Ref		HDN+78

Si
	Si + O2 = SiO2
	log_k		148.9059
	-delta_H	-865.565	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-5.7245e2 -7.6302e-2 8.3516e4 2.0045e2 -2.8494e6
#	Range		0-300
	-Vm		12.056 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		CWM89

Sillimanite
	Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O
	log_k		16.3080
	-delta_H	-238.442	kJ/mol
#	deltafH		-615.099	kcal/mol
	-analytic	-7.1610e1 -3.2196e-2 1.2493e4 2.2449e1 1.9496e2
#	Range		0-350
	-Vm		49.9
#	Extrapol	supcrt92
#	Ref		HDN+78

SiO2(am)
	SiO2 = SiO2
        log_k		-2.7136
	-delta_H	20.0539		kJ/mol
#	deltafH		-214.568	kcal/mol
	-analytic	1.2109 7.0767e-3 2.3634e3 -3.4449 -4.8591e5
#	Range		0-325
	-Vm		29
#	Extrapol	supcrt92
#	Ref		HDN+78

Sm
	Sm + 2 H+ + 0.5 O2 = H2O + Sm+2
	log_k		133.1614
	-delta_H	-783.944	kJ/mol
#	deltafH 	0		kJ/mol
	-analytic	-7.1599e1 -2.0083e-2 4.2693e4 2.7291e1 6.6621e2
#	Range		0-300
	-Vm		19.98 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		RHF79

Smectite-high-Fe-Mg
        Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12 + 8 H+ = 0.025 Ca+2 + 0.1 Na+ + 0.2 Fe+3 + 0.2 K+ + 0.5 Fe+2 + 1.15 Mg+2 + 1.25 Al+3 + 3.5 SiO2 + 5 H2O 
	log_k		17.4200
	-delta_H	-199.841	kJ/mol
#	deltafH		-1351.39	kcal/mol
	-analytic	-9.6102 1.2551e-3 1.8157e4 -7.9862 -1.3005e6
#	Range		0-300
	-Vm		139.07 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		78wol

Smectite-low-Fe-Mg
        Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12 + 7 H+ = 0.02 Ca+2 + 0.15 Na+ + 0.16 Fe+3 + 0.2 K+ + 0.29 Fe+2 + 0.9 Mg+2 + 1.25 Al+3 + 3.75 SiO2 + 4.5 H2O 
	log_k		11.0405
	-delta_H	-144.774	kJ/mol
#	deltafH		-1352.12	kcal/mol
	-analytic	-1.7003e1 6.9848e-3 1.8359e4 -6.8896 -1.6637e6
#	Range		0-300
	-Vm		139.39 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		78wol

Smithsonite
	ZnCO3 + H+ = HCO3- + Zn+2
	log_k		0.4633
	-delta_H	-30.5348	kJ/mol
#	deltafH		-194.26		kcal/mol
	-analytic	-1.6452e2 -5.0231e-2 5.5925e3 6.5139e1 8.7314e1
#	Range		0-350
	-Vm		28.275
#	Extrapol	supcrt92
#	Ref		HDN+78

Sphaerocobaltite
	CoCO3 + H+ = Co+2 + HCO3-
	log_k		-0.2331
	-delta_H	-30.7064	kJ/mol
#	deltafH		-171.459	kcal/mol
	-analytic	-1.5709e2 -4.8957e-2 5.3158e3 6.2075e1 8.2995e1
#	Range		0-300
	-Vm		28.8 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		84sve

Sphalerite
	ZnS + H+ = HS- + Zn+2
	log_k		-11.4400
	-delta_H	35.5222		kJ/mol
#	deltafH		-49		kcal/mol
	-analytic	-1.5497e2 -4.8953e-2 1.7850e3 6.1472e1 2.7899e1
#	Range		0-350
	-Vm		23.83
#	Extrapol	supcrt92
#	Ref		HDN+78

Spinel
	Al2MgO4 + 8 H+ = Mg+2 + 2 Al+3 + 4 H2O
	log_k		37.6295
	-delta_H	-398.108	kJ/mol
#	deltafH		-546.847	kcal/mol
	-analytic	-3.3895e2 -8.3595e-2 2.9251e4 1.2260e2 4.5654e2
#	Range		0-350
	-Vm		39.71
#	Extrapol	supcrt92
#	Ref		HDN+78

Spinel-Co
	Co3O4 + 8 H+ = Co+2 + 2 Co+3 + 4 H2O
	log_k		-6.4852
	-delta_H	-126.415	kJ/mol
#	deltafH		-891		kJ/mol
	-analytic	-3.2239e2 -8.0782e-2 1.4635e4 1.1755e2 2.2846e2
#	Range		0-300
	-Vm		39.41 # gfw/density
#	Extrapol	Cp integration
#	Ref		WEP+82

Spodumene
	LiAlSi2O6 + 4 H+ = Al+3 + Li+ + 2 H2O + 2 SiO2
	log_k		6.9972
	-delta_H	-89.1817	kJ/mol
#	deltafH		-3054.75	kJ/mol
	-analytic	-9.8111 2.1191e-3 9.6920e3 -3.0484 -7.8822e5
#	Range		0-300
	-Vm		58.37 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Stilbite
	Ca1.019Na.136K.006Al2.18Si6.82O18:7.33H2O + 8.72 H+ = 0.006 K+ + 0.136 Na+ + 1.019 Ca+2 + 2.18 Al+3 + 6.82 SiO2 + 11.69 H2O
	log_k		1.0545
	-delta_H	-83.0019	kJ/mol
#	deltafH		-11005.7	kJ/mol
	-analytic	-2.4483e1 3.0987e-2 2.8013e4 -1.5802e1 -3.4491e6
#	Range		0-300
	-Vm		333.50 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		90how/joh

Strengite
	FePO4:2H2O + H+ = Fe+3 + HPO4-2 + 2 H2O
	log_k		-11.3429
	-delta_H	-37.107		kJ/mol
#	deltafH		-1876.23	kJ/mol
	-analytic	-2.7752e2 -9.4014e-2 7.6862e3 1.0846e2 1.2002e2
#	Range		0-300
	-Vm		65.10 # Webmineral.com
#	Extrapol	Cp integration
#	Ref		RHF79

Sylvite
	KCl = Cl- + K+
	log_k		0.8459
	-delta_H	17.4347		kJ/mol
#	deltafH		-104.37		kcal/mol
	-analytic	-8.1204e1 -3.3074e-2 8.2819e2 3.6014e1 1.2947e1
#	Range		0-350
	-Vm		37.524
#	Extrapol	supcrt92
#	Ref		HDN+78

Talc
	Mg3Si4O10(OH)2 + 6 H+ = 3 Mg+2 + 4 H2O + 4 SiO2
	log_k		21.1383
	-delta_H	-148.737	kJ/mol
#	deltafH		-1410.92	kcal/mol
	-analytic	1.1164e1 2.4724e-2 1.9810e4 -1.7568e1 -1.8241e6
#	Range		0-350
	-Vm		136.25
#	Extrapol	supcrt92
#	Ref		HDN+78, Wilson+06 match

Tarapacaite
	K2CrO4 = CrO4-2 + 2 K+
	log_k		-0.4037
	-delta_H	17.8238		kJ/mol
#	deltafH		-335.4		kcal/mol
	-analytic	2.7953e1 -1.0863e-2 -2.7589e3 -6.4154e0 -4.6859e1
#	Range		0-200
	-Vm		70.87 # Webmineral.com
#	Extrapol	Constant H approx
#	Ref		76del/hal

Tenorite
	CuO + 2 H+ = Cu+2 + H2O
	log_k		7.6560
	-delta_H	-64.5047	kJ/mol
#	deltafH		-37.2		kcal/mol
	-analytic	-8.9899e1 -1.8886e-2 6.0346e3 3.3517e1 9.4191e1
#	Range		0-350
	-Vm		12.22
#	Extrapol	supcrt92
#	Ref		HDN+78

Tephroite
	Mn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Mn+2
	log_k		23.0781
	-delta_H	-160.1		kJ/mol
#	deltafH		-1730.47	kJ/mol
	-analytic	-3.2440e1 -1.1023e-2 8.8910e3 1.1691e1 1.3875e2
#	Range		0-300
	-Vm		47.52 # Webmineral.com
#	Extrapol	Cp integration
#	Ref		WEP+82

Th
	Th + 4 H+ + O2 = Th+4 + 2 H2O
	log_k		209.6028
	-delta_H	-1328.56	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-2.8256e1 -1.1963e-2 6.8870e4 4.2068e0 1.0747e3
#	Range		0-300
	-Vm		19.83 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		CWM89

Th(NO3)4:5H2O
	Th(NO3)4:5H2O = Th+4 + 4 NO3- + 5 H2O
	log_k		1.7789
	-delta_H	-18.1066	kJ/mol
#	deltafH		-3007.35	kJ/mol
	-analytic	-1.2480e2 -2.0405e-2 5.1601e3 4.6613e1 8.7669e1
#	Range		0-200
	-Vm		203.62 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

Th(SO4)2
	Th(SO4)2 = Th+4 + 2 SO4-2
	log_k		-20.3006
	-delta_H	-46.1064	kJ/mol
#	deltafH		-2542.12	kJ/mol
	-analytic	-8.4525 -3.5442e-2 0 0 -1.1540e5
#	Range		0-200
	-Vm		100.39 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

Th2S3
	Th2S3 + 5 H+ + 0.5 O2 = H2O + 2 Th+4 + 3 HS-
	log_k		95.2290
	-delta_H	-783.243	kJ/mol
#	deltafH		-1082.89	kJ/mol
	-analytic	-3.2969e2 -1.1090e-1 4.6877e4 1.2152e2 7.3157e2
#	Range		0-300
	-Vm		71.19 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Th7S12
	Th7S12 + 16 H+ + O2 = 2 H2O + 7 Th+4 + 12 HS-
	log_k		204.0740
	-delta_H	-1999.4		kJ/mol
#	deltafH		-4136.58	kJ/mol
	-analytic	-2.1309e2 -1.4149e-1 9.8550e4 5.2042e1 1.6736e3
#	Range		0-200
	-Vm		248.02 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

ThCl4
	ThCl4 = Th+4 + 4 Cl-
	log_k		23.8491
	-delta_H	-251.094	kJ/mol
#	deltafH		-283.519	kcal/mol
	-analytic	-5.9340 -4.1640e-2 9.8623e3 3.6804 1.6748e2
#	Range		0-200
	-Vm		81.45 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		80lan/her

ThS2
	ThS2 + 2 H+ = Th+4 + 2 HS-
	log_k		10.7872
	-delta_H	-175.369	kJ/mol
#	deltafH		-625.867	kJ/mol
	-analytic	-3.7691e1 -2.3714e-2 8.4673e3 1.0970e1 1.4380e2
#	Range		0-200
	-Vm		40.57 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		WEP+82

Thenardite
	Na2SO4 = SO4-2 + 2 Na+
	log_k		-0.3091
	-delta_H	-2.33394	kJ/mol
#	deltafH		-1387.87	kJ/mol
	-analytic	-2.1202e2 -7.1613e-2 5.1083e3 8.7244e1 7.9773e1
#	Range		0-300
	-Vm		53.33 # Marion+05
#	Extrapol	Cp integration
#	Ref		RHF79

Thermonatrite
	Na2CO3:H2O + H+ = H2O + HCO3- + 2 Na+
	log_k		10.9623
	-delta_H	-27.5869	kJ/mol
#	deltafH		-1428.78	kJ/mol
	-analytic	-1.4030e2 -3.5263e-2 5.7840e3 5.7528e1 9.0295e1
#	Range		0-300
	-Vm		54.92 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Thorianite
	ThO2 + 4 H+ = Th+4 + 2 H2O
	log_k		1.8624
	-delta_H	-114.296	kJ/mol
#	deltafH		-1226.4		kJ/mol
	-analytic	-1.4249e1 -2.4645e-3 4.3110e3 -1.6605e-2 2.1598e5
#	Range		0-300
	-Vm		26.373 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		CWM89

Ti
	Ti + 2 H2O + O2 = Ti(OH)4
	log_k		149.2978
#	deltafH		0		kJ/mol
	-Vm		10.631 # thermo.com.V8.R6+.tdat
#	Ref		CWM89

Ti2O3
	Ti2O3 + 4 H2O + 0.5 O2 = 2 Ti(OH)4
	log_k		42.9866
#	deltafH		-1520.78	kJ/mol
	-Vm		32.02 # gfw/density
#	Ref		WEP+82

Ti3O5
	Ti3O5 + 6 H2O + 0.5 O2 = 3 Ti(OH)4
	log_k		34.6557
#	deltafH		-2459.24	kJ/mol
	-Vm		48.93 # gfw/density
#	Ref		WEP+82

TiB2
	TiB2 + 5 H2O + 2.5 O2 = Ti(OH)4 + 2 B(OH)3
	log_k		312.4194
#	deltafH		-323.883	kJ/mol
	-Vm		15.37 # gfw/density
#	Ref		WEP+82

TiC
	TiC + 3 H2O + 2 O2 = H+ + HCO3- + Ti(OH)4
	log_k		181.8139
#	deltafH		-184.346	kJ/mol
	-Vm		12.15 # gfw/density
#	Ref		WEP+82

TiCl2
	TiCl2 + 3 H2O + 0.5 O2 = Ti(OH)4 + 2 Cl- + 2 H+
	log_k		70.9386
#	deltafH		-514.012	kJ/mol
	-Vm		37.95 # gfw/density
#	Ref		WEP+82

TiCl3
	TiCl3 + 3.5 H2O + 0.25 O2 = Ti(OH)4 + 3 Cl- + 3 H+
	log_k		39.3099
#	deltafH		-720.775	kJ/mol
	-Vm		58.42 # gfw/density
#	Ref		WEP+82

TiN
	TiN + 3.5 H2O + 0.25 O2 = NH3 + Ti(OH)4
	log_k		35.2344
#	deltafH		-338.304	kJ/mol
	-Vm		11.46 # gfw/density
#	Ref		WEP+82

Titanite
	CaTiSiO5 + 2 H+ + H2O = Ca+2 + SiO2 + Ti(OH)4
	log_k		719.5839
#	deltafH		0		kcal/mol
	-Vm		55.65
#	Ref		RHF79

Tobermorite-11A
	Ca5Si6H11O22.5 + 10 H+ = 5 Ca+2 + 6 SiO2 + 10.5 H2O
	log_k		65.6121
	-delta_H	-286.861	kJ/mol
#	deltafH		-2556.42	kcal/mol
	-analytic	7.9123e1 3.9150e-2 2.9429e4 -3.9191e1 -2.4122e6
#	Range		0-300
	-Vm		286.81 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		82sar/bar

Tremolite
	Ca2Mg5Si8O22(OH)2 + 14 H+ = 2 Ca+2 + 5 Mg+2 + 8 H2O + 8 SiO2
	log_k		61.2367
	-delta_H	-406.404	kJ/mol
#	deltafH		-2944.04	kcal/mol
	-analytic	8.5291e1 4.6337e-2 3.9465e4 -5.4414e1 -3.1913e6
#	Range		0-350
	-Vm		272.92
#	Extrapol	supcrt92
#	Ref		HDN+78

Trevorite
	NiFe2O4 + 8 H+ = Ni+2 + 2 Fe+3 + 4 H2O
	log_k		9.7876
	-delta_H	-215.338	kJ/mol
#	deltafH		-1081.15	kJ/mol
	-analytic	-1.4322e2 -2.9429e-2 1.4518e4 4.5698e1 2.4658e2
#	Range		0-200
	-Vm		44.89 # Webmineral.com
#	Extrapol	Constant H approx
#	Ref		RHF79

Tridymite
	SiO2 = SiO2
	log_k		-3.8278
	-delta_H	31.3664		kJ/mol
#	deltafH		-909.065	kJ/mol
	-analytic	3.1594e2 6.9315e-2 -1.1358e4 -1.2219e2 -1.9299e2
#	Range		0-200
	-Vm		26.12 # Webmineral.com
#	Extrapol	Constant H approx
#	Ref		WEP+82

Troilite
	FeS + H+ = Fe+2 + HS-
	log_k		-3.8184
	-delta_H	-7.3296		kJ/mol
#	deltafH		-101.036	kJ/mol
	-analytic	-1.6146e2 -5.3170e-2 4.0461e3 6.4620e1 6.3183e1
#	Range		0-300
	-Vm		19.07 # Webmineral.com
#	Extrapol	Cp integration
#	Ref		RHF79

U
	U + 2 H+ + 1.5 O2 = H2O + UO2+2
	log_k		212.7800
	-delta_H	-1286.64	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-2.4912e2 -4.7104e-2 8.1115e4 8.7008e1 -1.0158e6
#	Range		0-300
	-Vm		12.49 # Webelements.com
#	Extrapol	Cp integration
#	Ref		CWM89

U2O2Cl5
	U2O2Cl5 = U+4 + UO2+ + 5 Cl-
	log_k		19.2752
	-delta_H	-254.325	kJ/mol
#	deltafH		-2197.4		kJ/mol
	-analytic	-4.3945e2 -1.6239e-1 2.1694e4 1.7551e2 3.3865e2
#	Range		0-300
	-Vm		142.48 # gfw/density
#	Extrapol	Cp integration
#	Ref		92gre/fug

U3S5
	U3S5 + 5 H+ = U+4 + 2 U+3 + 5 HS-
	log_k		-0.3680
	-delta_H	-218.942	kJ/mol
#	deltafH		-1431		kJ/mol
	-analytic	-1.1011e2 -6.7959e-2 1.0369e4 3.8481e1 1.7611e2
#	Range		0-200
	-Vm		106.12 # gfw/density
#	Extrapol	Constant H approx
#	Ref		92gre/fug

UC
	UC + 2 H+ + 1.75 O2 = 0.5 H2O + HCO3- + U+3
	log_k		194.8241
	-delta_H	-1202.82	kJ/mol
#	deltafH		-97.9		kJ/mol
	-analytic	-4.6329e1 -4.4600e-2 6.1417e4 1.9566e1 9.5836e2
#	Range		0-300
	-Vm		18.34 # gfw/density
#	Extrapol	Cp integration
#	Ref		92gre/fug

UCl3
	UCl3 = U+3 + 3 Cl-
	log_k		13.0062
	-delta_H	-126.639	kJ/mol
#	deltafH		-863.7		kJ/mol
	-analytic	-2.6388e2 -1.0241e-1 1.1629e4 1.0846e2 1.8155e2
#	Range		0-300
	-Vm		62.62 # gfw/density
#	Extrapol	Cp integration
#	Ref		92gre/fug

UCl4
	UCl4 = U+4 + 4 Cl-
	log_k		21.9769
	-delta_H	-240.719	kJ/mol
#	deltafH		-1018.8		kJ/mol
	-analytic	-3.6881e2 -1.3618e-1 1.9685e4 1.4763e2 3.0727e2
#	Range		0-300
	-Vm		78.00 # gfw/density
#	Extrapol	Cp integration
#	Ref		92gre/fug

UCl6
	UCl6 + 2 H2O = UO2+2 + 4 H+ + 6 Cl-
	log_k		57.5888
	-delta_H	-383.301	kJ/mol
#	deltafH		-1066.5		kJ/mol
	-analytic	-4.5589e2 -1.9203e-1 2.8029e4 1.9262e2 4.3750e2
#	Range		0-300
	-Vm		125.21 # gfw/density
#	Extrapol	Cp integration
#	Ref		92gre/fug

UH3(beta)
	UH3 + 3 H+ + 1.5 O2 = U+3 + 3 H2O
	log_k		199.7683
	-delta_H	-1201.43	kJ/mol
#	deltafH		-126.98		kJ/mol
	-analytic	5.2870e1 4.2151e-3 6.0167e4 -2.2701e1 1.0217e3
#	Range		0-200
	-Vm		22.01 # gfw/density
#	Extrapol	Constant H approx
#	Ref		92gre/fug

UN
	UN + 3 H+ = NH3 + U+3
	log_k		41.7130
	-delta_H	-280.437	kJ/mol
#	deltafH		-290		kJ/mol
	-analytic	-1.6393e2 -1.1679e-3 2.8845e3 6.5637e1 3.0122e6
#	Range		0-300
	-Vm		45.85 # gfw/density
#	Extrapol	Cp integration
#	Ref		92gre/fug

UO2(NO3)2
	UO2(NO3)2 = UO2+2 + 2 NO3-
	log_k		11.9598
	-delta_H	-81.6219	kJ/mol
#	deltafH		-1351		kJ/mol
	-analytic	-1.2216e1 -1.1261e-2 3.9895e3 5.7166 6.7751e1
#	Range		0-200
	-Vm		140.23 # gfw/density
#	Extrapol	Constant H approx
#	Ref		92gre/fug

UO2(NO3)2:6H2O
	UO2(NO3)2:6H2O = UO2+2 + 2 NO3- + 6 H2O
	log_k		2.3189
	-delta_H	19.8482		kJ/mol
#	deltafH		-3167.5		kJ/mol
	-analytic	-1.4019e2 -4.3682e-2 2.7842e3 5.9070e1 4.3486e1
#	Range		0-300
	-Vm		178.88 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		92gre/fug

UO2(OH)2(beta)
	UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O
	log_k		4.9457
	-delta_H	-56.8767	kJ/mol
#	deltafH		-1533.8		kJ/mol
	-analytic	-1.7478e1 -1.6806e-3 3.4226e3 4.6260 5.3412e1
#	Range		0-300
	-Vm		51.31 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		92gre/fug

UO2SO4
	UO2SO4 = SO4-2 + UO2+2
	log_k		1.9681
	-delta_H	-83.4616	kJ/mol
#	deltafH		-1845.14	kJ/mol
	-analytic	-1.5677e2 -6.5310e-2 6.7411e3 6.2867e1 1.0523e2
#	Range		0-300
	-Vm		111.61 # gfw/density
#	Extrapol	Cp integration
#	Ref		92gre/fug

UO2SO4:3H2O
	UO2SO4:3H2O = SO4-2 + UO2+2 + 3 H2O
	log_k		-1.4028
	-delta_H	-34.6176	kJ/mol
#	deltafH		-2751.5		kJ/mol
	-analytic	-5.0134e1 -1.0321e-2 3.0505e3 1.6799e1 5.1818e1
#	Range		0-200
	-Vm		108.34 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		92gre/fug

UO3(beta)
	UO3 + 2 H+ = H2O + UO2+2
	log_k		8.3095
	-delta_H	-84.5383	kJ/mol
#	deltafH		-1220.3		kJ/mol
	-analytic	-1.2298e1 -1.7800e-3 4.5621e3 2.3593 7.1191e1
#	Range		0-300
	-Vm		34.46 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		92gre/fug

Uraninite
	UO2 + 4 H+ = U+4 + 2 H2O
	log_k		-4.8372
	-delta_H	-77.8767	kJ/mol
#	deltafH		-1085		kJ/mol
	-analytic	-7.5776e1 -1.0558e-2 5.9677e3 2.1853e1 9.3142e1
#	Range		0-325
	-Vm		24.638
#	Extrapol	Cp integration
#	Ref		CWM89, SSB97 match

Vaesite
	NiS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Ni+2 + 1.75 HS-
	log_k		-26.7622
	-delta_H	110.443		kJ/mol
#	deltafH		-32.067		kcal/mol
	-analytic	1.6172e1 -2.2673e-2 -8.2514e3 -3.4392 -1.4013e2
#	Range		0-200
	-Vm		27.697 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		78vau/cra

Wollastonite
	CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2
	log_k		13.7605
	-delta_H	-76.5756	kJ/mol
#	deltafH		-389.59		kcal/mol
	-analytic	3.0931e1 6.7466e-3 5.1749e3 -1.3209e1 -3.4579e5
#	Range		0-350
	-Vm		39.93
#	Extrapol	supcrt92
#	Ref		HDN+78

Wurtzite
	ZnS + H+ = HS- + Zn+2
	log_k		-9.1406
	-delta_H	22.3426		kJ/mol
#	deltafH		-45.85		kcal/mol
	-analytic	-1.5446e2 -4.8874e-2 2.4551e3 6.1278e1 3.8355e1
#	Range		0-350
	-Vm		23.846
#	Extrapol	supcrt92
#	Ref		HDN+78

Wustite
	Fe.947O + 2 H+ = 0.106 Fe+3 + 0.841 Fe+2 + H2O
	log_k		12.4113
	-delta_H	-102.417	kJ/mol
#	deltafH		-266.265	kJ/mol
	-analytic	-7.6919e1 -1.8433e-2 7.3823e3 2.8312e1 1.1522e2
#	Range		0-300
	-Vm		12.04 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		WEP+82

Xonotlite
	Ca6Si6O17(OH)2 + 12 H+ = 6 Ca+2 + 6 SiO2 + 7 H2O
	log_k		91.8267
	-delta_H	-495.457	kJ/mol
#	deltafH		-2397.25	kcal/mol
	-analytic	1.6080e3 3.7309e-1 -2.2548e4 -6.2716e2 -3.8346e2
#	Range		0-200
	-Vm		264.81 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		82sar/bar

Zincite
	ZnO + 2 H+ = H2O + Zn+2
	log_k		11.2087
	-delta_H	-88.7638	kJ/mol
#	deltafH		-350.46		kJ/mol
	-analytic	-8.6681e1 -1.9324e-2 7.1034e3 3.2256e1 1.1087e2
#	Range		0-350
	-Vm		14.338
#	Extrapol	supcrt92, Cp integration
#	Ref		SSW+97, CWM89 match

Zn
	Zn + 2 H+ + 0.5 O2 = H2O + Zn+2
	log_k		68.8035
	-delta_H	-433.157	kJ/mol
#	deltafH		0		kJ/mol
	-analytic	-6.4131e1 -2.0009e-2 2.3921e4 2.3702e1 3.7329e2
#	Range		0-300
	-Vm		9.162 # thermo.com.V8.R6+.tdat
#	Extrapol	Cp integration
#	Ref		CWM89

Zn(NO3)2:6H2O
	Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O
	log_k		3.4102
	-delta_H	24.7577		kJ/mol
#	deltafH		-2306.8		kJ/mol
	-analytic	-1.7152e2 -1.6875e-2 5.6291e3 6.5094e1 9.5649e1
#	Range		0-200
	-Vm		144.06 # gfw/density
#	Extrapol	Constant H approx
#	Ref		WEP+82

Zn(OH)2(beta)
	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
	log_k		11.9341
	-delta_H	-83.2111	kJ/mol
#	deltafH		-641.851	kJ/mol
	-analytic	-7.7810e1 -7.8548e-3 7.1994e3 2.7455e1 1.2228e2
#	Range		0-200
	-Vm		32.60 # gfw/density
#	Extrapol	Constant H approx
#	Ref		WEP+82

Zn(OH)2(epsilon)
	Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
	log_k		11.6625
	-delta_H	-81.7811	kJ/mol
#	deltafH		-643.281	kJ/mol
	-analytic	-7.7938e1 -7.8767e-3 7.1282e3 2.7496e1 1.2107e2
#	Range		0-200
	-Vm		32.60 # gfw/density
#	Extrapol	Constant H approx
#	Ref		WEP+82

Zn2SiO4
	Zn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Zn+2
	log_k		13.8695
	-delta_H	-119.399	kJ/mol
#	deltafH		-1636.75	kJ/mol
	-analytic	2.0970e2 5.3663e-2 -1.2724e2 -8.5445e1 -2.2336
#	Range		0-200
	-Vm		55.03 # Webmineral.com
#	Extrapol	Constant H approx
#	Ref		WEP+82

ZnCl2
	ZnCl2 = Zn+2 + 2 Cl-
	log_k		7.0880
	-delta_H	-72.4548	kJ/mol
#	deltafH		-415.09		kJ/mol
	-analytic	-1.6157e1 -2.5405e-2 2.6505e3 8.8584 4.5015e1
#	Range		0-200
	-Vm		46.84 # gfw/density
#	Extrapol	Constant H approx
#	Ref		WEP+82

ZnCr2O4
	ZnCr2O4 + 8 H+ = Zn+2 + 2 Cr+3 + 4 H2O
	log_k		7.9161
	-delta_H	-221.953	kJ/mol
#	deltafH		-370.88		kcal/mol
	-analytic	-1.7603e2 -1.0217e-2 1.7414e4 5.1966e1 2.9577e2
#	Range		0-200
	-Vm		44.03 # thermo.com.V8.R6+.tdat
#	Extrapol	Constant H approx
#	Ref		76del/hal

ZnSO4
	ZnSO4 = SO4-2 + Zn+2
	log_k		3.5452
	-delta_H	-80.132		kJ/mol
#	deltafH		-982.855	kJ/mol
	-analytic	6.9905 -1.8046e-2 2.2566e3 -2.2819 3.8318e1
#	Range		0-200
	-Vm		45.61 # gfw/density
#	Extrapol	Constant H approx
#	Ref		WEP+82

ZnSO4:6H2O
	ZnSO4:6H2O = SO4-2 + Zn+2 + 6 H2O
	log_k		-1.6846
	-delta_H	-0.412008	kJ/mol
#	deltafH		-2777.61	kJ/mol
	-analytic	-1.4506e2 -1.8736e-2 5.2179e3 5.3121e1 8.8657e1
#	Range		0-200
	-Vm		130.08 # gfw/density
#	Extrapol	Constant H approx
#	Ref		WEP+82

Zoisite
	Ca2Al3(SiO4)3OH + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O
	log_k		43.3017
	-delta_H	-458.131	kJ/mol
#	deltafH		-1643.69	kcal/mol
	-analytic	2.5321 -3.5886e-2 1.9902e4 -6.2443 3.1055e2
#	Range		0-350
	-Vm		135.9
#	Extrapol	supcrt92
#	Ref		HDN+78 differ by 2.5 log K at 0C, 0.6 log K at 350C

#---------------------------
# carbfix.dat additions and changes
#---------------------------

Ankerite
	CaFe(CO3)2 = Ca+2 + Fe+2 + 2 CO3-2
	log_k		-20.8732 # HP11 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
    -analytic	6743.140988642074 2.3089611210263445 -252723.63251182728 -2681.493160205648 9.661065201605685e6 -0.0008807525923414785 # HP11 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			66.060 # HP11

Dolomite
	CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
	log_k		-17.5755 # carbfix.dat
	-analytic	29.3854 -0.08464 -6474.23 0 0 0 # carbfix.dat
	-Vm			64.365 # core10.dat

Siderite #M 115.856
	FeCO3 = Fe+2 + CO3-2
	log_k		-11.0441 # carbfix.dat
	-analytic	349.4317054926304 0.03628114046578195 -13573.811090861998 -131.65143185871804 0 0 # carbfix.dat
	-Vm			29.378 # core10.dat

Vaterite
	CaCO3 = Ca+2 + CO3-2
	log_k		-7.913 # PB82
	-analytic	-172.1295 -0.077993 3074.688 71.595 # PB82
	-Vm			37.628 # Webmineral

Chamosite
	Fe5Al2Si3O10(OH)8 + 16 H+ = 3 SiO2 + 2 Al+3 + 5 Fe+2 + 12 H2O
	log_k		51.0989 # Wilson+06 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-2261.8191086219654 -0.05624157931775312 177907.89284663578 751.8600225754568 -1.0016051707895715e7 -0.00016619114943726155 # Wilson+06 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm		213.42 # Wilson+06

Ferroactinolite
	Ca2Fe5Si8O24H2 + 14 H+ = 8 H2O + 2 Ca++ + 5 Fe++ + 8 SiO2
	log_k		53.8577 # HP11 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-6166.998542330102 -1.037219798091501 365861.8176639852 2233.6116457595454 -2.0884200268246245e7 0.00012380655710718727 # HP11 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			284.20 # HP11

Analcime
	Na0.96Al0.96Si2.04O6:1H2O + 3.84 H+ = 0.96 Al+3 + 2.04 SiO2 + 0.96 Na+ + 2.92 H2O
	log_k		6.46778 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-1607.397164637225 -0.20244882417823173 100724.95781836317 567.7196058320366 -6.033769323248515e6 -5.813879879598253e-6 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			97.43 # Neu00

Chabazite-Ca
	CaAl2Si4O12:6H2O + 8 H+ = 2 Al+3 + Ca+2 + 4 SiO2 + 10 H2O
	log_k		14.7771 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-3008.8025156663593 -0.3755910460310381 188997.49544842725 1062.7947084349842 -1.1188005391588064e7 -0.00002583123991650134 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			247.45 # Neu00

Chabazite-Na
	Na2Al2Si4O12:6H2O + 8 H+ = 2 Al+3 + 2 Na+ + 4 SiO2 + 10 H2O
	log_k		16.9077 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-3186.8278093507747 -0.418380143168157 196138.93487499916 1132.2901846509246 -1.157949755113691e7 -0.000010048464434853268 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			247.45 # Neu00

Clinoptilolite-Ca
	Ca1.5Al3Si15O36:12H2O + 12 H+ = 3 Al+3 + 1.5 Ca+2 + 15 SiO2 + 18 H2O
	log_k		-6.46186 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-9671.715446207168 -1.2994995558734899 586051.6056233725 3435.4387233980556 -3.6938991496076465e7 0.000020765835897886403 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			628.14 # Neu00

Clinoptilolite-Na
	Na3Al3Si15O36:10H2O + 12 H+ = 3 Al+3 + 3 Na+ + 15 SiO2 + 16 H2O
	log_k		-9.10501 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-9935.986589349232 -1.3651421045919674 595717.5272789554 3537.941435564227 -3.7574827008609205e7 0.00004659640445273473 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			628.14 # Neu00

Heulandite-Ca 
	CaAl2Si7O18:6H2O + 8 H+ = 2 Al+3 + Ca+2 + 7 SiO2 + 10 H2O
	log_k		3.436 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-4716.20373811867 -0.6097204104617631 290361.2230601926 1669.4918855360143 -1.8033731828280084e7 -7.066268784616783e-6 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			319.27 # Neu00

Heulandite-Na
	Na2Al2Si7O18:5H2O + 8 H+ = 2 Al+3 + 2 Na+ + 7 SiO2 + 9 H2O
	log_k		6.5703 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-4893.663438946976 -0.6527198597381667 298513.6715970333 1737.9764230580004 -1.846214573574453e7 9.017353510490205e-6 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			314.27 # Neu00

Laumontite 
	CaAl2Si4O12:4.5H2O + 8 H+ = 2 Al+3 + 4 SiO2 + 1 Ca+2 + 8.5 H2O
	log_k		14.7774 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-2953.1864248185643 -0.3460678860757567 189179.5402824526 1037.3497867115404 -1.133807260140713e7 -0.000030091905800782725 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			209.68 # Neu00

Leonhardite 
	CaAl2Si4O12:3.5H2O + 8 H+ = 2 Al+3 + 4 SiO2 + 1 Ca+2 + 7.5 H2O
	log_k		14.8743 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-2952.1293972721705 -0.34742048679718 189640.4641323959 1036.5589592559031 -1.1353314773495251e7 -0.00002980389895752243 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			204.6 # Neu00

Mesolite 
	Ca0.667Na0.666Al2Si3O10:2.667H2O + 8 H+ = 2 Al+3 + 0.667 Ca+2 + 3 SiO2 + 0.666Na+ + 6.667 H2O
	log_k		17.4218 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-2514.705149002807 -0.29384113565312087 161655.70641411358 883.4921843216846 -9.406741691291668e6 -0.00003131384483046101 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			171.60 # Neu00

Mordenite-Ca
	Ca0.5AlSi5O12:4H2O + 4 H+ = 1 Al+3 + 0.5 Ca+2 + 5 SiO2 + 6 H2O
	log_k		-7.0717 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-3209.8424385413937 -0.42341047224966527 194516.0226403748 1137.819893904924 -1.2397691837671977e7 6.8216657981027104e-6 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			208.74 # Neu00

Mordenite-Na
	NaAlSi5O12:3H2O + 4 H+ = 1 Al+3 + 1 Na+ + 5 SiO2 + 5 H2O
	log_k		-1.64368 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-3304.0194429277494 -0.44813101451196 199814.8259786772 1174.547352199426 -1.2617592209620891e7 0.00001579003538196579 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			208.74 # Neu00

Natrolite
	Na2Al2Si3O10:2H2O + 8 H+ = 2 Al+3 + 3 SiO2 + 2 Na+ + 6 H2O
	log_k		19.1579 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-2597.197018319145 -0.31602003400891093 165224.20445157515 915.9259126075954 -9.615658410718244e6 -0.000020437594207700833 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			169.22 # Neu00

Scolecite
	CaAl2Si3O10:3H2O + 8 H+ = 2 Al+3 + Ca+2 + 3 SiO2 + 7 H2O
	log_k		16.5484 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-2472.9848254242747 -0.282577973571597 159852.11641836836 867.0866007988283 -9.301702517122421e6 -0.00003682208544087395 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			172.29 # Neu00

Stilbite-Ca
	CaAl2Si7O18:7H2O + 8 H+ = 2 Al+3 + Ca+2 + 7 SiO2 + 11 H2O
	log_k		3.25107 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-4700.580605084462 -0.6041316785312421 289527.09790938033 1663.141867840657 -1.795058537490787e7 -5.933631409739997e-6 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			333.48 # Neu00

Thomsonite
	Ca2NaAl5Si5O20:6H2O + 20 H+ = 5 Al+3 + 2 Ca+2 + 5 SiO2 + Na+ + 16 H2O
	log_k		53.2914 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-4574.622243877597 -0.4696926814639755 308149.84600719286 1591.2127911035302 -1.7223826926743384e7 -0.00010328397531931611 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			338.10 # Neu00

Wairakite
	CaAl2Si4O12:2H2O + 8 H+ = 2 Al+3 + 4 SiO2 + 1 Ca+2 + 6 H2O
	log_k		18.7266 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-3019.9452775460704 -0.35597487369231395 196047.2234609314 1059.0051267650902 -1.159849076955757e7 -0.000030402580312874294 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			190.35 # Neu00

Yugawaralite
	CaAl2Si6O16:4H2O + 8 H+ = 2 Al+3 + 6 SiO2 + 1 Ca+2 + 8 H2O
	log_k		7.98228 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-analytic	-4107.23434950416 -0.5135363017836825 257073.67049534645 1449.0996243850718 -1.5841096694718203e7 -0.000015762141005939227 # Neu00 + CHNOSZ/OBIGT/SUPCRTBL - D08,Z+16
	-Vm			265.79 # Neu00

#----------
# 15 gases
#----------

C2H4(g)
	C2H4 = C2H4
	log_k		-2.323631
	-delta_H	-3.930		kcal/mol
	-analytic	-14.5616 0.0176 2192.2 0 0 -3.8657e-6
#	Range		0-350
	-T_c		283 # K
	-P_c		50.53
	-Omega		0.085 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
#	Extrapol	supcrt92
#	Ref		Sho93

C2H6(g)
	C2H6 = C2H6
	log_k		-2.93276
	-delta_H	-4.509		kcal/mol
	-analytic	-23.1154 0.0354 3289.1 0 0 -1.5637e-5
#	Range		0-350
	-T_c		305 # K
	-P_c		48.16
	-Omega		0.100 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
#	Extrapol	supcrt92
#	Ref		HOK+98	

C3H8(g)
	C3H8 = C3H8
	log_k		-2.876
	-analytic	1.885	-2.55e-2 0 0 0 3.20e-5 # Not the best
#	Range		0-350
	-T_c		369.522 # K
	-P_c		42.4924
	-Omega		0.152 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
#	Extrapol	supcrt92
#	Ref		HOK+98

CH4(g)
	CH4 = CH4 
	log_k		-2.8502
	-delta_H	-13.0959	kJ/mol
#	deltafH		-17.88		kcal/mol
	-analytic	-24.027 4.7146e-3 372.27 6.4264 2.3362e5
#	Range		0-350
	-T_c		190.6 # K
	-P_c		45.40
	-Omega		0.008 # phreeqc.dat
#	Extrapol	supcrt92
#	Ref		WEP+82, Kel60

CO(g)
	CO = CO
	log_k		-3.0068
	-delta_H	-10.4349	kJ/mol
#	deltafH		-26.416		kcal/mol
	-analytic	-8.0849 9.2114e-3 0 0 2.0813e5
#	Range		0-350
	-T_c		133 # K
	-P_c		34.54
	-Omega		0.049 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
#	Extrapol	supcrt92
#	Ref		Sho93

CO2(g)
	CO2 + H2O = H+ + HCO3-   
	log_k		-7.8136
	-delta_H	-10.5855	kJ/mol
#	deltafH		-94.051		kcal/mol
	-analytic	-8.5938e1 -3.0431e-2 2.0702e3 3.2427e1 3.2328e1
#	Range		0-350
	-T_c		304.25 # K
	-P_c		72.83 # atm, 7.38 MPa, http://webbook.nist.gov/cgi/cbook.cgi?ID=C124389&Units=SI&Mask=4#Thermo-Phase
	-Omega		0.225 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
#	Extrapol	supcrt92
#	Ref		WEP+82, Kel60

H2(g)
	H2 = H2
	log_k		-3.1050
	-delta_H	-4.184		kJ/mol
#	deltafH		0		kcal/mol
	-analytic	-9.3114 4.6473e-3 -49.335 1.4341 1.2815e5
#	Range		0-350
	-T_c		33.2 # K
	-P_c		12.80
	-Omega		0.225 # phreeqc.dat
#	Extrapol	supcrt92
#	Ref		WEP+82, Kel60

H2O(g) # HP98
	H2O = 1.000 H2O
	-log_k 1.5108
	-analytic -1.4782e1 1.0752e-3 2.7519e3 2.7548 4.2945e1
	-T_c  647.3
	-P_c  220.9
	-Omega  0.344

H2S(g)
	H2S = H+ + HS-     
	log_k		-7.9759
	-delta_H	4.5229		kJ/mol
#	deltafH		-4.931		kcal/mol
	-analytic	-97.354 -3.1576e-2 1.8285e3 37.44 28.56
#	Range		0-350
	-T_c		373.2 # K
	-P_c		88.20
	-Omega		0.1
#	Extrapol	supcrt92
#	Ref		WEP+82, Kel60

N2(g)
	N2 = N2
	log_k		-3.1864 
	-delta_H	-10.4391	kJ/mol
#	deltafH		0		kcal/mol
	-analytic	-58.453 1.818e-3 3199 17.909 -27460 # phreeqc.dat
#	Range		0-350
	-T_c		126.2 # K
	-P_c		33.50
	-Omega		0.039
#	Extrapol	supcrt92
#	Ref		WEP+82, Kel60

NH3(g)
	NH3 = NH3       
	log_k		1.7966
	-delta_H	-35.2251	kJ/mol
#	deltafH		-11.021		kcal/mol
	-analytic	-18.758 3.3670e-4 2.5113e3 4.8619 39.192
#	Range		0-350
	-T_c		405.6 # K
	-P_c		111.3
	-Omega		0.25
#	Extrapol	supcrt92
#	Ref		WEP+82, Kel60

NO(g)
	NO + 0.5 H2O + 0.25 O2 = H+ + NO2- 
	log_k		0.7554
	-delta_H	-48.8884	kJ/mol
#	deltafH		90.241		kJ/mol
	-analytic	8.2147 -1.2708e-1 -6.0593e3 2.0504e1 -9.4551e1
#	Range		0-300
	-T_c		180 # K
	-P_c		64.64
	-Omega		0.607 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
#	Extrapol	supcrt92, Cp integration
#	Ref		AS01, WEP+82 differ by 0.2 log K at 0C, 17 log K at 350C !! flag

NO2(g)
	NO2 + 0.5 H2O + 0.25 O2 = H+ + NO3- 
	log_k		8.3673
	-delta_H	-94.0124	kJ/mol
#	deltafH		33.154		kJ/mol
	-analytic	9.4389e1 -2.7511e-1 -1.6783e4 2.1127e1 -2.6191e2
#	Range		0-300
	-T_c		431 # K
	-P_c		99.67
	-Omega		0 # Not found
#	Extrapol	Cp integration
#	Ref		WEP+82

O2(g)
	O2 = O2       
	log_k		-2.8983
	-delta_H	-12.1336	kJ/mol
#	deltafH		0		kcal/mol
	-analytic	-7.5001 7.8981e-3 0.0 0.0 2.0027e5
#	Range		0-300
	-T_c		154.6 # K phreeqc.dat
	-P_c		49.80 # phreeqc.dat
	-Omega		0.021 # phreeqc.dat
#	Extrapol	supcrt92
#	Ref		WEP+82, Kel60

SO2(g)
	SO2 = SO2
	log_k		0.1700
	-delta_H	0
#	deltafH		0		kcal/mol
	-analytic	-2.0205e1 2.8861e-3 1.4862e3 5.2958 1.2721e5
#	Range		0-300
	-T_c		430 # K
	-P_c		77.67
	-Omega		0.251 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf
#	Extrapol	supcrt92
#	Ref		WEP+82, Kel60

#----------
# Additional phases added for the purpose of the kinetics
#----------

#Basaltic glass leached layer solubility - calculated from a stoichiometric mixture of amorphous SiO2 and Al(OH)3 in this database.
#NOTE: The analytical expression was calculated assuming a constant Cp for Al(OH)3(am), so that significant systematic errors occur at high temperatures!
Glass_Basalt_leached_layer
	Si1.00Al0.35O2(OH)1.05 + 0.35 OH- = 0.35 Al(OH)4- + SiO2
	log_k		-2.36449
	-analytic	77.82514814711445 0.032450265390183614 -1502.5932036570116 -33.02705435543141 -216815.051931841 -7.454186812457974e-6

#Rhyolite glass leached layer solubility - calculated from a stoichiometric mixture of amorphous SiO2 and Al(OH)3 in this database.
#NOTE: The analytical expression was calculated assuming a constant Cp for Al(OH)3(am), so that significant systematic errors occur at high temperatures!
Glass_Rhyolite_leached_layer
Si1.00Al0.23O2(OH)0.69 + 0.23 OH- = 0.23 Al(OH)4- + SiO2
	log_k -2.49416
	-analytic 5.1557406e+01 2.3750757e-02 -1.7710982e+02 -2.2884601e+01 -3.0907618e+05 -4.8984656e-06

#----------
# Additional phases  
##Non-silicate minerals including carbonate, sulfide, phosphate, halide, and oxy-hydroxide minerals####
# 16 added solids
# The thermodynmaic properties are from the llnl.data database export for Gaspite
#------------


Anglesite
        PbSO4  =  +  Pb+2 +  SO4-2
        log_k           -7.8527
	-delta_H	11.255	kJ/mol	# Calculated enthalpy of reaction	Anglesite
#	Enthalpy of formation:	-219.87 kcal/mol
		-analytic -1.8583e+002 -7.3849e-002 2.8528e+003 7.6936e+001 4.4570e+001
		-Vm			47.950 #https://thermoddem.brgm.fr/ 
#       -Range:  0-300

Barite
        BaSO4  =  +  Ba++ +  SO4-2
        log_k           -9.9711
	-delta_H	25.9408	kJ/mol	# Calculated enthalpy of reaction	Barite
#	Enthalpy of formation:	-352.1 kcal/mol
        -analytic -1.8747e+002 -7.5521e-002 2.0790e+003 7.7998e+001 3.2497e+001
	-Vm			52.1 #https://thermoddem.brgm.fr/
#       -Range:  0-300

Celestite
        SrSO4  =  +  SO4-2 +  Sr+2
        log_k           -5.6771
	-delta_H	-7.40568	kJ/mol	# Calculated enthalpy of reaction	Celestite
#	Enthalpy of formation:	-347.3 kcal/mol
        -analytic -1.9063e+002 -7.4552e-002 3.9050e+003 7.8416e+001 6.0991e+001
	-Vm			46.25 #https://thermoddem.brgm.fr/
#       -Range:  0-300

Cerussite
        PbCO3 + H+  =  + HCO3- + Pb+2
        log_k           -3.2091
	-delta_H	13.8992	kJ/mol	# Calculated enthalpy of reaction	Cerussite
#	Enthalpy of formation:	-168 kcal/mol
        -analytic -1.2887e+002 -4.4372e-002 2.2336e+003 5.3091e+001 3.4891e+001
#       -Range:  0-300

Fluorapatite
        Ca5(PO4)3F +3.0 H+  =  +  F- + 3.0 HPO4-2 + 5.0 Ca++
        log_k           -24.9940
	-delta_H	-90.8915	kJ/mol	# Calculated enthalpy of reaction	Fluorapatite
#	Enthalpy of formation:	-6836.12 kJ/mol
        -analytic -9.3648e+002 -3.2688e-001 2.4398e+004 3.7461e+002 3.8098e+002
	-Vm			157.56 #https://thermoddem.brgm.fr/
#       -Range:  0-300

Fluorite
        CaF2  =  +  Ca++ + 2.0 F-
        log_k           -10.0370
	-delta_H	12.1336	kJ/mol	# Calculated enthalpy of reaction	Fluorite
#	Enthalpy of formation:	-293 kcal/mol
        -analytic -2.5036e+002 -8.4183e-002 4.9525e+003 1.0054e+002 7.7353e+001
	-Vm			24.542 #https://thermoddem.brgm.fr/
#       -Range:  0-300

Gaspite  # M 118.702 https://thermoddem.brgm.fr/
NiCO3 + H+ = HCO3- + Ni+2
		log_k -0.74
        -analytic -909.497277	-0.146985	50789.653398	329.221149	-2880194.459776
		-Vm			26.978 #https://thermoddem.brgm.fr/
#       -Range:  0-300

Otavite
        CdCO3 + H+  =  +  Cd++ +  HCO3-
        log_k           -1.7712
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Otavite
#	Enthalpy of formation:	0 kcal/mol

Pyromorphite
        Pb5(PO4)3Cl +3.0 H+  =  +  Cl- + 3.0 HPO4-2 + 5.0 Pb+2
        log_k           -47.8954
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pyromorphite
#	Enthalpy of formation:	0 kcal/mol

Pyromorphite-OH
        Pb5(OH)(PO4)3 +4.0 H+  =  +  H2O + 3.0 HPO4-2 + 5.0 Pb+2
        log_k           -26.2653
	-delta_H	0	      	# Not possible to calculate enthalpy of reaction	Pyromorphite-OH
	-Vm			188.40 #https://thermoddem.brgm.fr/
#	Enthalpy of formation:	0 kcal/mol

Rhodochrosite
        MnCO3 + H+  =  +  HCO3- +  Mn+2
        log_k           -0.1928
	-delta_H	-21.3426	kJ/mol	# Calculated enthalpy of reaction	Rhodochrosite
#	Enthalpy of formation:	-212.521 kcal/mol
        -analytic -1.6195e+002 -4.9344e-002 5.0937e+003 6.4402e+001 7.9531e+001
	-Vm			31.075 #https://thermoddem.brgm.fr/
#       -Range:  0-300

Smithsonite
        ZnCO3 + H+  =  +  HCO3- +  Zn+2
        log_k           0.4633
	-delta_H	-30.5348	kJ/mol	# Calculated enthalpy of reaction	Smithsonite
#	Enthalpy of formation:	-194.26 kcal/mol
        -analytic -1.6452e+002 -5.0231e-002 5.5925e+003 6.5139e+001 8.7314e+001
#       -Range:  0-300


Strontianite
        SrCO3 + H+  =  +  HCO3- +  Sr+2
        log_k           -0.3137
	-delta_H	-8.23411	kJ/mol	# Calculated enthalpy of reaction	Strontianite
#	Enthalpy of formation:	-294.6 kcal/mol
        -analytic -1.3577e+002 -4.4884e-002 3.5729e+003 5.5296e+001 5.5791e+001
#       -Range:  0-300

Witherite
        BaCO3 + H+  =  +  Ba+2 +  HCO3-
        log_k           -2.9965
	-delta_H	17.1628	kJ/mol	# Calculated enthalpy of reaction	Witherite
#	Enthalpy of formation:	-297.5 kcal/mol
        -analytic -1.2585e+002 -4.4315e-002 2.0227e+003 5.2239e+001 3.1600e+001
#       -Range:  0-300

# A.P. Gysi et al. / Geochimica et Cosmochimica Acta 242 (2018) 143–164
Monazite-Ce  # M 235.087 g/mol   
	CePO4 + H+ = Ce+3 + HPO4-2
	log_k		-18.12
	-analytic 0.968 0.0474 4.384E+03
	
Variscite # M 157.983 #https://thermoddem.brgm.fr/
	AlPO4:2H2O + 2H+ = Al+3 + H2PO4- + 2 H2O
	log_k		-2.16
	-analytic	-1069.095997	-0.173224	59751.042067	386.011849	-3287463.862916
	-Vm			61.953 

##
Illite
        K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2 +8.0000 H+  =  + 0.2500 Mg++ + 0.6000 K+ + 2.3000 Al+++ + 3.5000 SiO2 + 5.0000 H2O
        log_k           9.0260
	-delta_H	-171.764	kJ/mol	# Calculated enthalpy of reaction	Illite
#	Enthalpy of formation:	-1394.71 kcal/mol
        -analytic 2.6069e+001 -1.2553e-003 1.3670e+004 -2.0232e+001 -1.1204e+006
#       -Range:  0-300



#----------
# List of the RATE blocks (details in Hermanska et al. 2022, 2023)
#----------


RATES

Albite #NaAlSi3O8; M 262.219 g/mol
-start
1 name$ = "Albite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 #
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 0.7	#mol.m-2.s-1
1001 An = 2.05e-1 #mol.m-2.s-1 
1002 Ab = 1.5e-5 #mol.m-2.s-1
1003 Ea = 58000  #J.mol-1
1004 En = 60000	#J.mol-1
1005 Eb = 50000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.3
1010 nb = -0.3
1011 Sig = 3
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR ("Albite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Albite_high #NaAlSi3O8; M 262.219 g/mol
-start
1 name$ = "Albite_high"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 #
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 0.7	#mol.m-2.s-1
1001 An = 2.05e-1 #mol.m-2.s-1 
1002 Ab = 1.5e-5 #mol.m-2.s-1
1003 Ea = 58000  #J.mol-1
1004 En = 60000	#J.mol-1
1005 Eb = 50000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.3
1010 nb = -0.3
1011 Sig = 3
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR ("Albite_high")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Albite_low #NaAlSi3O8; M 262.219 g/mol
-start
1 name$ = "Albite_low"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 0.7	#mol.m-2.s-1
1001 An = 2.05e-1 #mol.m-2.s-1 
1002 Ab = 1.5e-5 #mol.m-2.s-1
1003 Ea = 58000  #J.mol-1
1004 En = 60000	#J.mol-1
1005 Eb = 50000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.3
1010 nb = -0.3
1011 Sig = 3
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR ("Albite_low")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Almandine#Fe3Al2(SiO4)3, M 500.4 g/mol
-start
1 name$ = "Almandine"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa = 2.0e5#mol/m2/s
1001 An = 2.31e-4#mol/m2/s
1002 Ab = 6.0e-8#mol/m2/s 
1003 na = 1
1004 nb = -0.4 
1005 Ea = 60000
1006 En = 43200 
1007 Eb = 42300  
1008 R =  8.314 #J.deg-1.mol-1
1009 ACTI = act("H+")
10010 Sig = 3
		#rate equations
2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
2009 rplus = rplusa + rplusb
3000 rate = rplus * (1 - (SR("Almandine")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Analcime#Na0.96Al0.96Si2.04O6:1H2O; 219.27 g/mol
-start
1 name$ = "Analcime"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 5.0e7#mol.m-2.s-1
1001 An = 1.0e-1	#mol.m-2.s-1 
1002 Ab = 7.5e-5 #mol.m-2.s-1
1003 Ea = 63000 #J.mol-1
1004 En = 58500	#J.mol-1
1005 Eb = 58000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 1
1010 nb = -0.4
1011 Sig = 2.04
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Analcime")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end



Andalusite#Al2SiO5, M 162.9 g/mol
-start
1 name$ = "Andalusite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa = 0.39#mol/m2/s
1001 An = 8.0e-3#mol/m2/s
1002 Ab = 8.8e-15#mol/m2/s 
1003 na = 0.15
1004 nb = -1.2
1005 Ea = 58000
1006 En = 60000
1007 Eb = 50000 
1008 R =  8.314 #J.deg-1.mol-1
1009 ACTI = act("H+")
1001 Sig = 1
		#rate equations
2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
2003 rplusn = An* (exp(-En/ (R * Tk)))* S
2004 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR ("Andalusite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end


Andesine_ss#Ca0.4Na0.6Al1.4Si2.6O8 , M 268.613 g/mol
-start
1 name$ = "Andesine_ss"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * 268.613 else S = m0 * ((m/m0)^(2/3)) * 268.613 * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
10 SR_Andesine=(SR ("Albite")*0.6)*(SR ("Anorthite")*0.4)
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR_Andesine < 1) Then GoTo 5000 # warning no dissolution reaction
200 If (SR_Andesine > 1) Then GoTo 5000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 146.75#mol.m-2.s-1
1001 An = 0.19	#mol.m-2.s-1 
1002 Ab = 1.5e-5 #mol.m-2.s-1
1003 Ea = 58000  #J.mol-1
1004 En = 60000	#J.mol-1
1005 Eb = 50000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.67
1010 nb = -0.35
1011 Sig = 2.6
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR_Andesine^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Andradite#Ca3Fe2(SiO4)3, M 510.9 g/mol
-start
1 name$ = "Andradite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa = 2.6e5#mol/m2/s
1001 An = 3.2e-4#mol/m2/s 
1003 na = 1
1005 Ea = 60000
1006 En = 43200  
1008 R =  8.314 #J.deg-1.mol-1
1009 ACTI = act("H+")
10010 Sig = 3
		#rate equations
2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
2003 rplusn = An* (exp(-En/ (R * Tk)))* S
2009 rplus = rplusa + rplusn
3000 rate = rplus * (1 - (SR("Andradite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end



Annite	#KFe3AlSi3O10(OH)2; M 511.85 g/mol
-start
1 name$ = "Annite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 5.90e-7 #mol.m-2.s-1
1001 An = 5e-9 #mol.m-2.s-1
1002 Ab = 4e-10 #mol.m-2.s-1
1003 Ea = 18200    #J.mol-1
1004 En = 22000    #J.mol-1
1005 Eb = 25500    #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 0.5
1009 nb = -0.16
1010 Sig = 3
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2001 rplusn = An * exp(-En/ (R * Tk)) * S
2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
2003 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR ("Annite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Anorthite	#CaAl2Si2O8; M 278.204 g/mol
-start
1 name$ = "Anorthite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3))* GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 9.82e4	#mol.m-2.s-1
1001 An = 1.5E-1	#mol.m-2.s-1 
1002 Ab = 1.5E-5 #mol.m-2.s-1
1003 Ea = 58000  #J.mol-1
1004 En = 60000	#J.mol-1
1005 Eb = 50000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 1.22
1010 nb = -0.35
1011 Sig = 2
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Anorthite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Anthophyllite #Mg7Si8O22(OH)2, M 780.807 g/mol
-start
1 name$ = "Anthophyllite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 5.7e-4 #mol.m-2.s-1
1001 An = 5.0e-6 #mol.m-2.s-1
1002 Ea = 52000 #J.mol-1
1003 En = 48000 #J.mol-1
1004 R =  8.314 #J.deg-1.mol-1
1005 n = 0.42
1006 Sig = 8
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
2001 rplusn = An* (exp(-En/ (R * Tk)))* S
2010 rplus = rplusa + rplusn
3000 rate = rplus * (1 - (SR ("Anthophyllite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Antigorite	#Mg3Si2O5(OH4); M 277 g/mol
-start
1 name$ = "Antigorite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
#------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 2.8e-6	#mol.m-2.s-1
1001 An = 2.0e-8	#mol.m-2.s-1 
1003 Ea = 27000 #J.mol-1
1004 En = 27000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.25
1011 Sig = 2
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2009 rplus = rplusa + rplusn 
3000 rate = rplus * (1 - (SR("Antigorite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end


Augite_ss#Mg0.45Fe0.275Ca0.275SiO3;M 113.4  g/mol   
-start
   2 if (PARM(1) = 0) then  goto 3 else goto 5
   3 if PARM(3) = 0 then S = PARM(2) * m * 113.4 else S = m0 * ((m/m0)^(2/3)) * 113.4 * PARM(2)
   4 GOTO 1000
   5 S = PARM(2)*TOT("water")
   10 SR_Augite=(SR ("Wollastonite")*0.45)*(SR ("Ferrosilite")*0.275)*(SR ("Enstatite")*0.275)
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR_Augite < 1) Then GoTo 5000 # warning no dissolution reaction
200 If (SR_Augite > 1) Then GoTo 5000 # warning no precipitation reaction
#------------------Kinetic calculation---------------------##
        #Parameters   
1000 Aa =1.52e6
1001 An =350
1002 Ea =81834
1003 En =83000
1004 R =  8.314
1006 Sig = 1
1007 na =0.7
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2009 rplus = rplusa + rplusn
3000 rate = rplus * (1 - (SR_Augite^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Beidellite-Ca#Ca.175Al2.35Si3.65O10(OH)2; M 366.9 g/mol # listed as SMECTITE in DB part 2
-start
1 name$ = "Beidellite-Ca"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
#------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 4
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Beidellite-Ca")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Beidellite-Fe# Fe.175Al2.35Si3.65O10(OH)2  369.7 g/mol # listed as SMECTITE in DB part 2
-start
1 name$ = "Beidellite-Fe"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Beidellite-Fe")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Beidellite-K# K.35Al2.35Si3.65O10(OH)2; M 373.6 g/mol # listed as SMECTITE in DB part 2
-start
1 name$ = "Beidellite-K"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Beidellite-K")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Beidellite-Mg# Mg.175Al2.35Si3.65O10(OH)2; M 364.2 g/mol # listed as SMECTITE in DB part 2
-start
1 name$ = "Beidellite-Mg"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Beidellite-Mg")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Beidellite-Na# Na.35Al2.35Si3.65O10(OH)2 ; M 368.0 g/mol # listed as SMECTITE in DB part 2
-start
1 name$ = "Beidellite-Na"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Beidellite-Na")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end


Biotite_ss	#KFe1.5Mg1.5AlSi3O10(OH)2; M 464.564 g/mol
-start
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * 464.564 else S = m0 * ((m/m0)^(2/3)) * 464.564 * PARM(2)
4 GOTO 1000
5 S = PARM(2)*TOT("water")
10 SR_Biotite=(SR ("Annite")*0.5)*(SR ("Phlogopite")*0.5)

##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR_Biotite < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR_Biotite > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 5.90e-7 #mol.m-2.s-1
1001 An = 5e-9 #mol.m-2.s-1
1002 Ab = 4e-10 #mol.m-2.s-1
1003 Ea = 18200    #J.mol-1
1004 En = 22000    #J.mol-1
1005 Eb = 25500    #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 0.5
1009 nb = -0.16
1010 Sig = 3
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2001 rplusn = An * exp(-En/ (R * Tk)) * S
2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
2003 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR_Biotite^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Bronzite_ss#Mg0.77Fe0.23SiO3, M 107.6 g/mol
-start
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * 107.6 else S = m0 * ((m/m0)^(2/3)) * 107.6 * PARM(2)
4 GOTO 1000
5 S = PARM(2)*TOT("water")
10 SR_Bronzite=(SR ("Enstatite")*0.77)*(SR ("Ferrosilite")*0.23)

##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR_Bronzite < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR_Bronzite > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 9.5e-4# mol.m-2.s-1
1001 An = 7.6e-1# mol.m-2.s-1
1002 Ea = 38548# J/mol   
1003 En = 66100# J/mol
1006 R = 8.314 #J.deg-1.mol-1
1008 na = 0.55
1011 Sig = 1
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2009 rplus = rplusa + rplusn
3000 rate = rplus * (1 - (SR_Bronzite^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Bytownite_ss#Ca0.77Na0.23Al1.77Si2.23O8, M 243.67 g/mol
-start
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * 243.67 else S = m0 * ((m/m0)^(2/3)) * 243.67 * PARM(2)
4 GOTO 1000
5 S = PARM(2)*TOT("water")
10 SR_Bytownite=(SR ("Albite")*0.23)*(SR ("Anorthite")*0.77)
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR_Bytownite < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR_Bytownite > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 18838.52 #mol.m-2.s-1
1001 An = 0.17	#mol.m-2.s-1 
1002 Ab = 1.5e-5 #mol.m-2.s-1
1003 Ea = 58000  #J.mol-1
1004 En = 60000	#J.mol-1
1005 Eb = 50000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 1.105
1010 nb = -0.35
1011 Sig = 2.23
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR_Bytownite^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Chabazite-Ca# CaAl2Si4O12:6H2O
-start
1 name$ = "Chabazite-Ca"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 0.221 #mol.m-2.s-1
1001 An = 1.56e-4	#mol.m-2.s-1 
1002 Ab = 4.94e-5 #mol.m-2.s-1
1003 Ea = 33700 #J.mol-1
1004 En = 44200	#J.mol-1
1005 Eb = 44200	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.82
1009 nb = -0.2
1011 Sig = 4
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Chabazite-Ca")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Chabazite-Na# Na2Al2Si4O12:6H2O
-start
1 name$ = "Chabazite-Na"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 0.221 #mol.m-2.s-1
1001 An = 1.56e-4	#mol.m-2.s-1 
1002 Ab = 4.94e-5 #mol.m-2.s-1
1003 Ea = 33700 #J.mol-1
1004 En = 44200	#J.mol-1
1005 Eb = 44200	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.82
1009 nb = -0.2
1011 Sig = 4
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Chabazite-Na")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Chalcedony# SiO2 M 60.08 g/mol #listed as Amorphous SiO2 in DB part 1
-start
1 name$ = "Chalcedony"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa = 4.563e-4#mol/m2/s
1001 Ab = 0.0353#mol/m2/s 
1002 na = 0.309
1003 nb = -0.41 
1004 Ea = 41610 
1005 Eb = 73000  
1006 R =  8.314 #J.deg-1.mol-1
1007 ACTI = act("H+")
1009 Sig = 1
		#rate equations
2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
2009 rplus = rplusa + rplusb
3000 rate = rplus * (1 - (SR("Chalcedony")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Chrysotile	# Mg3Si2O5(OH4); M 278.9 g/mol
-start
1 name$ = "Chrysotile"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 2.8e-6	#mol.m-2.s-1
1001 An = 2.0e-8	#mol.m-2.s-1 
1003 Ea = 27000  #J.mol-1
1004 En = 27000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.25
1011 Sig = 2
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2009 rplus = rplusa + rplusn 
3000 rate = rplus * (1 - (SR("Chrysotile")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Chamosite# Fe5Al(AlSi3O10)(OH)8; M 713.44 g/mol
-start
1 name$ = "Chamosite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 1.5e-4 #mol.m-2.s-1
1001 An = 4.7e-11 #mol.m-2.s-1
1002 Ab = 2.0e-12 #mol.m-2.s-1
1003 Ea = 30000 #J.mol-1
1004 En = 15000 #J.mol-1
1005 Eb = 15000 #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 nA = 0.74
1009 nb = -0.19 
1010 Sig = 3
		#rate equation
2000 rplusa = Aa * ACTI^nA  * exp(-Ea/ (R * Tk)) * S
2001 rplusn = An * exp(-En/ (R * Tk)) * S
2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
2003 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Chamosite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end


Clinochlore-14A#Mg5Al(AlSi3O10)(OH)8; M 555.79 g/mol
-start
1 name$ = "Clinochlore-14A"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 1.5e-4 #mol.m-2.s-1
1001 An = 4.7e-11 #mol.m-2.s-1
1002 Ab = 2.0e-12 #mol.m-2.s-1
1003 Ea = 30000 #J.mol-1
1004 En = 15000 #J.mol-1
1005 Eb = 15000 #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 nA = 0.74
1009 nb = -0.19 
1010 Sig = 3
		#rate equation
2000 rplusa = Aa * ACTI^nA  * exp(-Ea/ (R * Tk)) * S
2001 rplusn = An * exp(-En/ (R * Tk)) * S
2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
2003 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Clinochlore-14A")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Clinochlore-7A# Mg5Al(AlSi3O10)(OH)8; M 555.79 g/mol
-start
1 name$ = "Clinochlore-7A"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 1.5e-4 #mol.m-2.s-1
1001 An = 4.7e-11 #mol.m-2.s-1
1002 Ab = 2.0e-12 #mol.m-2.s-1
1003 Ea = 30000 #J.mol-1
1004 En = 15000 #J.mol-1
1005 Eb = 15000 #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 nA = 0.74
1009 nb = -0.19 
1010 Sig = 3
		#rate equation
2000 rplusa = Aa * ACTI^nA  * exp(-Ea/ (R * Tk)) * S
2001 rplusn = An * exp(-En/ (R * Tk)) * S
2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
2003 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Clinochlore-7A")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Clinoptilolite-Ca# Ca1.5Al3Si15O36:12H2O
-start
1 name$ = "Clinoptilolite-Ca"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 2.48e-2 #mol.m-2.s-1
1001 An = 1.39e-5	#mol.m-2.s-1 
1002 Ab = 3.5e-6 #mol.m-2.s-1
1003 Ea = 33700 #J.mol-1
1004 En = 44200	#J.mol-1
1005 Eb = 44200	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.82
1009 nb = -0.2
1011 Sig = 15
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR ("Clinoptilolite-Ca")
/Sig))
4000 moles = rate * time
5000 save moles
-end

Clinoptilolite-Na# Na3Al3Si15O36:10H2O
-start
1 name$ = "Clinoptilolite-Na"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 2.48e-2 #mol.m-2.s-1
1001 An = 1.39e-5	#mol.m-2.s-1 
1002 Ab = 3.5e-6 #mol.m-2.s-1
1003 Ea = 33700 #J.mol-1
1004 En = 44200	#J.mol-1
1005 Eb = 44200	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.82
1009 nb = -0.2
1011 Sig = 15
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Clinoptilolite-Na")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Cristobalite(alpha)#SiO2; M 60.08 g/mol
-start
1 name$ = "Cristobalite(alpha)"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa = 4.03e-4#mol/m2/s
1001 Ab = 0.105#mol/m2/s 
1002 na = 0.309
1003 nb = -0.41 
1004 Ea = 45600 
1005 Eb = 80000
1006 R =  8.314 #J.deg-1.mol-1
1007 ACTI = act("H+")
1009 Sig = 1
		#rate equations
2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
2009 rplus = rplusa + rplusb
3000 rate = rplus * (1 - (SR("Cristobalite(alpha)")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Cristobalite(beta)#SiO2, M 60.08 g/mol
-start
1 name$ = "Cristobalite(beta)"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa = 4.03e-4#mol/m2/s
1001 Ab = 0.105#mol/m2/s 
1002 na = 0.309
1003 nb = -0.41 
1004 Ea = 45600 
1005 Eb = 80000  
1006 R =  8.314 #J.deg-1.mol-1
1007 ACTI = act("H+")
1009 Sig = 1
		#rate equations
2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
2009 rplus = rplusa + rplusb
3000 rate = rplus * (1 - (SR ("Cristobalite(beta)")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Daphnite-14A#Fe5Al(AlSi3O10)(OH)8;M 713.44 g/mol
-start
1 name$ = "Daphnite-14A"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 1.5e-4 #mol.m-2.s-1
1001 An = 4.7e-11 #mol.m-2.s-1
1002 Ab = 2.0e-12 #mol.m-2.s-1
1003 Ea = 30000 #J.mol-1
1004 En = 15000 #J.mol-1
1005 Eb = 15000 #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 nA = 0.74
1009 nb = -0.19 
1010 Sig = 3
		#rate equation
2000 rplusa = Aa * ACTI^nA  * exp(-Ea/ (R * Tk)) * S
2001 rplusn = An * exp(-En/ (R * Tk)) * S
2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
2003 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR ("Daphnite-14A")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Daphnite-7A#Fe5Al(AlSi3O10)(OH)8; M 713.44 g/mol
-start
1 name$ = "Daphnite-7A"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 1.5e-4 #mol.m-2.s-1
1001 An = 4.7e-11 #mol.m-2.s-1
1002 Ab = 2.0e-12 #mol.m-2.s-1
1003 Ea = 30000 #J.mol-1
1004 En = 15000 #J.mol-1
1005 Eb = 15000 #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 nA = 0.74
1009 nb = -0.19 
1010 Sig = 3
		#rate equation
2000 rplusa = Aa * ACTI^nA  * exp(-Ea/ (R * Tk)) * S
2001 rplusn = An * exp(-En/ (R * Tk)) * S
2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
2003 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR ("Daphnite-7A")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Diopside #CaMgSi2O6; M 216.55 g/mol
-start
1 name$ = "Diopside"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 8.55e-5 #mol.m-2.s-1
1001 An = 4.30e-4 #mol.m-2.s-1
1003 Ea = 32654 #J.mol-1
1004 En = 43866 #J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1007 ACTI = act("H+")
1008 na = 0.25
1009 Sig = 2
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
2002 rplusn = An* (exp(-En/ (R * Tk)))* S
2009 rplus = rplusa + rplusn
3000 rate = rplus * (1 - (SR ("Diopside")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Enstatite#MgSiO3;M 100.387 g/mol
-start
1 name$ = "Enstatite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 0.574 #mol.m-2.s-1
1001 An = 6252 #mol.m-2.s-1
1003 Ea = 46080 #J.mol-1
1004 En = 89538 #J.mol-1 
1006 R =  8.314 #J.deg-1.mol-1
1007 ACTI = act("H+")
1008 na = 0.5
1010 Sig = 1
		#rate equations 
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
2002 rplusn = An* (exp(-En/ (R * Tk)))* S
2009 rplus = rplusa + rplusn
3000 rate = rplus * (1 - (SR ("Enstatite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Epidote#Ca2FeAl2Si3O12OH;M 483.215 g/mol
-start
1 name$ = "Epidote"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 1.09 #mol.m-2.s-1 
1001 An = 5.13e-5  #mol.m-2.s-1 
1002 Ab = 1.40e-9 #mol.m-2.s-1 
1003 Ea = 60000 #J.mol-1
1004 En = 43200 #J.mol-1
1005 Eb = 42300 #J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1007 ACTI = act("H+")
1008 na = 0.30
1009 nb = -0.4
1010 Sig = 3
		#rate equations 
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
2002 rplusn = An* (exp(-En/ (R * Tk)))* S
2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb )* S
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR ("Epidote")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Epidote-ord#Ca2FeAl2Si3O12OH;M 483.215 g/mol
-start
1 name$ = "Epidote-ord"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 1.14e1 #mol.m-2.s-1 
1001 An = 5.13e-5  #mol.m-2.s-1 
1002 Ab = 1.40e-9 #mol.m-2.s-1 
1003 Ea = 60000 #J.mol-1
1004 En = 43200 #J.mol-1
1005 Eb = 42300 #J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1007 ACTI = act("H+")
1008 na = 0.56
1009 nb = -0.4
1010 Sig = 3
		#rate equations 
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
2002 rplusn = An* (exp(-En/ (R * Tk)))* S
2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb )* S
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR ("Epidote-ord")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Fayalite   #Fe2SiO4;M 203.771 g/mol
-start
1 name$ = "Fayalite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa =1.20e6# mol.m-2.s-1
1001 Ab =1.91e3# mol.m-2.s-1
1002 Ea =70400# J/mol
1003 Eb =60900# J/mol
1004 R = 8.314 #J.deg-1.mol-1
1006 Sig = 1  
1007 na =0.44
1008 nb =0.22	
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
2001 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb)* S
2002 rplus = rplusa + rplusb
4000 rate = rplus * (1 - SR("Fayalite")^(1/Sig))
5000 moles = rate * time
6000 save moles
-end

Ferroactinolite #Ca2Fe5Si8O22(OH)2, M 970.053 g/mol, kinetic parameters from Tremolite
-start
1 name$ = "Ferroactinolite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
5 S = PARM(2)*TOT("water")
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 3.0e-3   #mol.m-2.s-1
1001 An = 2.0e-5 #mol.m-2.s-1
1002 Ea = 50000 #J.mol-1
1003 En = 48000 #J.mol-1
1004 R = 8.314 #J.deg-1.mol-1
1005 n = 0.22
1006 Sig = 8
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
2001 rplusn = An* (exp(-En/ (R * Tk)))* S
2010 rplus = rplusa + rplusn
3000 rate = rplus * (1 - (SR("Ferroactinolite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end


Forsterite   #Mg2SiO4, M 140.692 g/mol   
-start
1 name$ = "Forsterite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa =14.8e4# mol.m-2.s-1
1001 Ab =220# mol.m-2.s-1
1002 Ea =70400# J/mol
1003 Eb =60900# J/mol
1004 R = 8.314 #J.deg-1.mol-1
1006 Sig = 1   
1007 na = 0.44
1008 nb = 0.22
		#Rate Equation
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S
2009 rplus = rplusa + rplusb
4000 rate = rplus * (1 - SR("Forsterite")^(1/Sig))
5000 moles = rate * time
6000 save moles
-end

Glass_Basalt#SiTi0.02Al0.36Fe0.19Mg0.28Ca0.26Na0.08K0.008O3.364 , M 122.566 g/mol
-start
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * 122.566 else S = m0 * ((m/m0)^(2/3)) * 122.566 * PARM(2)
4 GOTO 1000
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR ("Glass_Basalt_leached_layer") < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR ("Glass_Basalt_leached_layer") > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 if (m0<=0) then go to 5000
1001 Aa = 1.08e-4	#mol.m-2.s-1
1003 Ea = 21500	#J.mol-1
1006 R = 8.3144 #J.deg-1.mol-1
1007 ACTI = (ACT ("H+")^3)/(ACT("Al+3"))
1008 n = 1/3
1009 Sig = 1
		#rate equation
2000 rplus = Aa * ACTI^n  * exp(-Ea/ (R * Tk)) * S
3000 rate = rplus * (1 - (SR ("Glass_Basalt_leached_layer")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Glass_Rhyolite#SiAl0.23Na0.13Fe0.05K0.05Ca0.03Mg0.007Ti0.004O2.536; M 84.165 g/mol
-start
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * 84.165 else S = m0 * ((m/m0)^(2/3)) * 84.165 * PARM(2)
4 GOTO 1000
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR("Glass_Rhyolite_leached_layer") < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR("Glass_Rhyolite_leached_layer") > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.6e-3	#mol.m-2.s-1
1002 Ab = 7.0e-8 #mol.m-2.s-1
1003 Ea = 36000  #J.mol-1
1005 Eb = 52000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.48
1010 nb = -0.6
1011 Sig = 1
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa +  rplusb
3000 rate = rplus * (1 - (SR("Glass_Rhyolite_leached_layer")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Glaucophane_ss#Na2Mg3Al2Si8O22(OH)2, M 783.531 g/mol
-start
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * 783.531 else S = m0 * ((m/m0)^(2/3)) * 783.531 * PARM(2)
4 GOTO 1000
5 S = PARM(2)*TOT("water")
10 SR_Glaucophane =((SR ("Anthophyllite")*1)*(SR ("Jadeite")*2))*(SR ("Enstatite")*(-4))
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR_Glaucophane < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR_Glaucophane > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 220 #mol.m-2.s-1
1001 Ab = 1.0e-4 #mol.m-2.s-1
1002 Ea = 50000 #J.mol-1
1003 Eb = 48000 #J.mol-1
1004 R =  8.314 #J.deg-1.mol-1
1005 na = 0.7
1006 nb = -0.12
1007 Sig = 8
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusb
3000 rate = rplus * (1 - (SR_Glaucophane^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Grossular#Ca3Al2(SiO4)3, M 453 g/mol
-start
1 name$ = "Grossular"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa = 2.0e5#mol/m2/s
1001 An = 2.31e-4#mol/m2/s
1002 Ab = 6.0e-8#mol/m2/s 
1003 na = 1
1004 nb = -0.4 
1005 Ea = 60000
1006 En = 43200 
1007 Eb = 42300  
1008 R =  8.314 #J.deg-1.mol-1
1009 ACTI = act("H+")
10010 Sig = 3
		#rate equations
2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
2009 rplus = rplusa + rplusb
3000 rate = rplus * (1 - (SR("Grossular")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Heulandite-Ca# CaAl2Si7O18:6H2O
-start
1 name$ = "Heulandite-Ca"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 2.48e-2 #mol.m-2.s-1
1001 An = 1.39e-5	#mol.m-2.s-1 
1002 Ab = 3.5e-6 #mol.m-2.s-1
1003 Ea = 33700 #J.mol-1
1004 En = 44200	#J.mol-1
1005 Eb = 44200	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.82
1009 nb = -0.2
1011 Sig = 7
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Heulandite-Ca")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Heulandite-Na# Na2Al2Si7O18:5H2O
-start
1 name$ = "Heulandite-Na"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 2.48e-2 #mol.m-2.s-1
1001 An = 1.39e-5	#mol.m-2.s-1 
1002 Ab = 3.5e-6 #mol.m-2.s-1
1003 Ea = 33700 #J.mol-1
1004 En = 44200	#J.mol-1
1005 Eb = 44200	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.82
1009 nb = -0.2
1011 Sig = 7
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Heulandite-Na")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Hornblende_ss#Ca2(Mg4Al)(Si7Al)O22(OH)2, M 813.927 g/mol
-start
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * 813.927 else S = m0 * ((m/m0)^(2/3)) * 813.927 * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
10 SR_Hornblende =((SR ("Tremolite")*1)*(SR ("Corundum")*1))*(SR ("Enstatite")*(-1))
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR_Hornblende < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR_Hornblende > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 5.0e-3 #mol.m-2.s-1
1001 Ab = 2.1e-5 #mol.m-2.s-1
1002 Ea = 50000 #J.mol-1
1003 Eb = 48000 #J.mol-1
1004 R =  8.314 #J.deg-1.mol-1
1005 na = 0.17
1006 nb = -0.12
1007 Sig = 7
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusb
3000 rate = rplus * (1 - (SR_Hornblende^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Illite# K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2
-start
1 name$ = "Illite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 7.3e-4 #mol.m-2.s-1
1001 An = 3.348e-3	#mol.m-2.s-1 
1002 Ab = 6.0e-8 #mol.m-2.s-1
1003 Ea = 50000 #J.mol-1
1004 En = 70000	#J.mol-1
1005 Eb = 74000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1009 nb = -0.6
1011 Sig = 3.5
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Illite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Jadeite# NaAl(SiO3)2;M 203.9 g/mol
-start
1 name$ = "Jadeite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 25 #mol.m-2.s-1 
1001 An = 2.70e5 #mol.m-2.s-1  
1003 Ea = 46080 #J.mol-1
1004 En = 89538 #J.mol-1
1006 R = 8.314 #J.deg-1.mol-1
1007 ACTI = act("H+")
1008 na = 0.5
1010 Sig = 2
		#rate equations 
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
2002 rplusn = An* (exp(-En/ (R * Tk)))* S
2009 rplus = rplusa + rplusn
3000 rate = rplus * (1 - (SR("Jadeite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Kaolinite	# Al2Si2O5(OH)4; M 258.16 g/mol
-start
1 name$ = "Kaolinite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 2.85	#mol.m-2.s-1
1001 An = 4.15e-3	#mol.m-2.s-1 
1002 Ab = 2.40e-11 #mol.m-2.s-1
1003 Ea = 73000  #J.mol-1
1004 En = 67000	#J.mol-1
1005 Eb = 61000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.45
1010 nb = -0.76
1011 Sig = 2
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 -SR("Kaolinite")^(1/Sig))
4000 moles = rate * time
5000 save moles
-end

K-Feldspar #KAlSi3O8; M 278.33 g/mol
-start
1 name$ = "K-Feldspar"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa = 0.05	# mol.m-2.s-1 
1001 An = 1.08e-2	# mol.m-2.s-1
1002 Ab = 1.2e-10	# mol.m-2.s-1
1003 Ea = 51700   # J/mol
1004 En = 60000   # J/mol
1005 Eb = 62195   # J/mol 
1006 R = 8.314 #J.deg-1.mol-1
1007 ACTI = act("H+") #
1008 Sig = 3
1009 nA = 0.45
1010 nb = -0.75
		#Rate Equation
3000 rplusa = Aa * ACTI^nA * exp (-Ea/ (R * Tk)) * S
3001 rplusn = An * exp (-En/ (R * Tk)) * S
3002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* ACTI^(nC) * S
3003 rplus = rplusa + rplusn + rplusb
4000 rate = rplus * (1 - SR("K-Feldspar")^(1/Sig))
5000 moles = rate * time
6000 save moles
-end

Kyanite# Al2SiO5, M 162.9 g/mol
-start
1 name$ = "Kyanite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa = 0.115#mol/m2/s
1001 An = 1e-3#mol/m2/s
1002 Ab = 1.5e-13#mol/m2/s 
1003 na = 0.15
1004 nb = -1
1005 Ea = 58000
1006 En = 60000
1007 Eb = 50000
1008 R =  8.314 #J.deg-1.mol-1
1009 ACTI = act("H+")
1001 Sig = 1
		#rate equations
2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
2003 rplusn = An* (exp(-En/ (R * Tk)))* S
2004 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Kyanite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Larnite   #Ca2SiO4;M 172.237 g/mol
-start
1 name$ = "Larnite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa = 5.25e8# mol.m-2.s-1
1001 Ab = 8.25e5# mol.m-2.s-1
1002 Ea = 70400# J/mol
1003 Eb = 60900# J/mol
1004 R = 8.314 #J.deg-1.mol-1
1006 Sig = 1  
1007 na =0.44
1008 nb =0.22	
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
2001 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb)* S
2002 rplus = rplusa + rplusb
4000 rate = rplus * (1 - SR ("Larnite")^(1/Sig))
5000 moles = rate * time
6000 save moles
-end

Labradorite_ss# Ca0.68Na0.32Al1.68Si2.32O8, M 245.84 g/mol
-start
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * 245.84 else S = m0 * ((m/m0)^(2/3)) * 245.84 * PARM(2)
4 GOTO 1000
5 S = PARM(2)*TOT("water")
10 SR_Labradorite=(SR ("Albite")*0.32)*(SR ("Anorthite")*0.68)
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR_Labradorite < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR_Labradorite > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 5886.557 #mol.m-2.s-1
1001 An = 0.17	#mol.m-2.s-1 
1002 Ab = 1.5e-5 #mol.m-2.s-1
1003 Ea = 58000  #J.mol-1
1004 En = 60000	#J.mol-1
1005 Eb = 50000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 1.0
1010 nb = -0.35
1011 Sig = 2.32
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
2010 SR_Labradorite=(SR ("Albite")*0.32)*(SR ("Anorthite")*0.68)
3000 rate = rplus * (1 - (SR_Labradorite^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Labradorite_ss_an55# Ca0.55Na0.45Al1.68Si2.32O8, M 245.84 g/mol
-start
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * 245.84 else S = m0 * ((m/m0)^(2/3)) * 245.84 * PARM(2)
4 GOTO 1000
5 S = PARM(2)*TOT("water")
10 Labradorite_ss_an55=(SR ("Albite")*0.55)*(SR ("Anorthite")*0.55)
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR_Labradorite_an55 < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR_Labradorite_an55 > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 5886.557 #mol.m-2.s-1
1001 An = 0.17	#mol.m-2.s-1 
1002 Ab = 1.5e-5 #mol.m-2.s-1
1003 Ea = 58000  #J.mol-1
1004 En = 60000	#J.mol-1
1005 Eb = 50000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 1.0
1010 nb = -0.35
1011 Sig = 2.32
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (Labradorite_ss_an55^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Laumontite# CaAl2Si4O12:4.5H2O
-start
1 name$ = "Laumontite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 0.25 #mol.m-2.s-1
1001 An = 1.39e-3	#mol.m-2.s-1 
1002 Ab = 7.5e-6 #mol.m-2.s-1
1003 Ea = 33700 #J.mol-1
1004 En = 44200	#J.mol-1
1005 Eb = 44200	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.82
1009 nb = -0.2
1011 Sig = 4
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Laumontite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Lizardite	#Mg3Si2O5(OH4); M 277 g/mol
-start
1 name$ = "Lizardite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 2.8e-6	#mol.m-2.s-1
1001 An = 2.0e-8	#mol.m-2.s-1 
1003 Ea = 27000 #J.mol-1
1004 En = 27000 	#J.mol-1
1006 R = 8.314 #J.deg-1.mol-1
1008 na = 0.25
1011 Sig = 2
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2009 rplus = rplusa + rplusn 
3000 rate = rplus * (1 - (SR("Lizardite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Leonhardite# CaAl2Si4O12:3.5H2O
-start
1 name$ = "Leonhardite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 0.25 #mol.m-2.s-1
1001 An = 1.39e-3	#mol.m-2.s-1 
1002 Ab = 7.5e-6 #mol.m-2.s-1
1003 Ea = 33700 #J.mol-1
1004 En = 44200	#J.mol-1
1005 Eb = 44200	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.82
1009 nb = -0.2
1011 Sig = 4
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Leonhardite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Maximum_Microcline #KAlSi3O8; M 278.33 g/mol
-start
1 name$ = "Maximum_Microcline"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa = 0.05	# mol.m-2.s-1 
1001 An = 1.08e-2	# mol.m-2.s-1
1002 Ab = 1.2e-10	# mol.m-2.s-1
1003 Ea = 51700   # J/mol
1004 En = 60000   # J/mol
1005 Eb = 62195   # J/mol 
1006 R = 8.314 #J.deg-1.mol-1
1007 ACTI = act("H+") #
1008 Sig = 3
1009 nA = 0.45
1010 nb = -0.75
		#Rate Equation
3000 rplusa = Aa * ACTI^nA * exp (-Ea/ (R * Tk)) * S
3001 rplusn = An * exp (-En/ (R * Tk)) * S
3002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* ACTI^(nC) * S
3003 rplus = rplusa + rplusn + rplusb
4000 rate = rplus * (1 - SR("Maximum_Microcline")^(1/Sig))
5000 moles = rate * time
6000 save moles
-end

Mesolite# Ca0.667Na0.666Al2Si3O10:2.667H2O
-start
1 name$ = "Mesolite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.97 #mol.m-2.s-1
1001 An = 1.11e-3	#mol.m-2.s-1 
1002 Ab = 5.54e-4 #mol.m-2.s-1
1003 Ea = 33700 #J.mol-1
1004 En = 44200	#J.mol-1
1005 Eb = 44200	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.82
1009 nb = -0.2
1011 Sig = 3
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Mesolite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Montmor-Ca# Ca.175Mg.35Al1.65Si4O10(OH)2
-start
1 name$ = "Montmor-Ca"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 4
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Montmor-Ca")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end


Montmor-Mg# Mg.525Al1.65Si4O10(OH)2; M 363.6 g/mol
-start
1 name$ = "Montmor-Mg"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 4
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Montmor-Mg")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Montmor-K#
-start
1 name$ = "Montmor-K"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 4
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Montmor-K")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Mordenite-Ca# Ca0.5AlSi5O12:4H2O
-start
1 name$ = "Mordenite-Ca"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution only or precipitation only option---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000 else goto 1000 # warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 else goto 1000# warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 2.48e-2 #mol.m-2.s-1
1001 An = 1.39e-5	#mol.m-2.s-1 
1002 Ab = 3.5e-6 #mol.m-2.s-1
1003 Ea = 33700 #J.mol-1
1004 En = 44200	#J.mol-1
1005 Eb = 44200	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.82
1009 nb = -0.2
1011 Sig = 5
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Mordenite-Ca")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Mordenite-Na# NaAlSi5O12:3H2O
-start
1 name$ = "Mordenite-Na"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution only or precipitation only option---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 2.48e-2 #mol.m-2.s-1
1001 An = 1.39e-5	#mol.m-2.s-1 
1002 Ab = 3.5e-6 #mol.m-2.s-1
1003 Ea = 33700 #J.mol-1
1004 En = 44200	#J.mol-1
1005 Eb = 44200	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.82
1009 nb = -0.2
1011 Sig = 5
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Mordenite-Na")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Muscovite #KAl3Si3O10(OH)2, M 398.303 g/mol
-start
1 name$ = "Muscovite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution only or precipitation only option---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 0.000126#mol.m-2.s-1  
1001 An = 0.00000631#mol.m-2.s-1
1002 Ab = 0.0000316#mol.m-2.s-1 
1004 Ea = 41311    #J.mol-1  
1005 En = 39301    #J.mol-1 
1006 Eb = 56950    #J.mol-1 
1008 R =  8.314 #J.deg-1.mol-1
1009 nA = 0.37
1010 nb = -0.22
2000 Sig = 3
		#rate equations
2005 rplusa = Aa* (exp(-Ea/ (R * Tk)))*((act("H+"))^nA )* S
2006 rplusn = An* (exp(-En/ (R * Tk)))* S
2007 rplusb = Ab* (exp(-Eb/ (R * Tk)))*((act("H+"))^nb)* S
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Muscovite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Natrolite# Na2Al2Si3O10:2H2O
-start
1 name$ = "Natrolite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution only or precipitation only option---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.97 #mol.m-2.s-1
1001 An = 1.11e-3	#mol.m-2.s-1 
1002 Ab = 5.54e-4 #mol.m-2.s-1
1003 Ea = 33700 #J.mol-1
1004 En = 44200	#J.mol-1
1005 Eb = 44200	#J.mol-1
1006 R = 8.314 #J.deg-1.mol-1
1008 na = 0.82
1009 nb = -0.2
1011 Sig = 3
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Natrolite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Nepheline #NaAlSiO4
-start
1 name$ = "Nepheline"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 5e7 #mol.m-2.s-1
1001 An = 0.1	#mol.m-2.s-1 
1002 Ab = 7.5e-5 #mol.m-2.s-1
1003 Ea = 63000 #J.mol-1
1004 En = 58500	#J.mol-1
1005 Eb = 58000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 1.0
1009 nb = -0.4
1011 Sig = 1
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Nepheline")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Nontronite-Ca# Ca.175Fe2Al.35Si3.65H2O12; M 424.7 g/mol # listed as SMECTITE in DB part 2
-start
1 name$ = "Nontronite-Ca"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution only or precipitation only option---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Nontronite-Ca")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Nontronite-K# K.35Fe2Al.35Si3.65H2O12; M 431.3 g/mol # listed as SMECTITE in DB part 2
-start
1 name$ = "Nontronite-K"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution only or precipitation only option---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Nontronite-K")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Nontronite-Mg# Mg.175Fe2Al.35Si3.65H2O12; M 421.9 g/mol # listed as SMECTITE in DB part 2
-start
1 name$ = "Nontronite-Mg"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution only or precipitation only option---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Nontronite-Mg")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Nontronite-Na# Na.35Fe2Al.35Si3.65H2O12; M 425.7 g/mol # listed as SMECTITE in DB part 2
-start
1 name$ = "Nontronite-Na"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution only or precipitation only option---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Nontronite-Na")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Oligoclase_ss#Ca0.186Na0.814Al1.186Si2.814O8, M 265.2 g/mol
-start
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * 265.2 else S = m0 * ((m/m0)^(2/3)) * 265.2 * PARM(2)
4 GOTO 1000
5 S = PARM(2)*TOT("water")
10 SR_Oligoclase=(SR ("Albite")*0.814)*(SR ("Anorthite")*0.186)
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR_Oligoclase < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR_Oligoclase > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 6.8	#mol.m-2.s-1
1001 An = 0.2	#mol.m-2.s-1 
1002 Ab = 1.5e-5 #mol.m-2.s-1
1003 Ea = 58000  #J.mol-1
1004 En = 60000	#J.mol-1
1005 Eb = 50000	#J.mol-1
1006 R = 8.314 #J.deg-1.mol-1
1008 na = 0.38
1010 nb = -0.35
1011 Sig = 2.814
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR_Oligoclase^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Olivine_ss#Mg1.8Fe0.2SiO4;M   147.31 g/mol   
-start
   2 if (PARM(1) = 0) then  goto 3 else goto 5
   3 if PARM(3) = 0 then S = PARM(2) * m * 147.31 else S = m0 * ((m/m0)^(2/3)) * 113.4 * PARM(2)
   4 GOTO 1000
   5 S = PARM(2)*TOT("water")
10 SR_Olivine=(SR ("Forsterite")*0.9)*(SR ("Fayalite")*0.1)
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR_Olivine < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR_Olivine > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa  =14.8e4# mol.m-2.s-1 # Forsterite rate!
1001 Ab  =220# mol.m-2.s-1  # Forsterite rate!
1002 Ea  =70400# J/mol
1003 Eb  =60900# J/mol
1004 R =  8.314 #J.deg-1.mol-1
1006 Sig = 1   
1007 na = 0.44
1008 nb = 0.22
#Rate Equation
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S
2009 rplus = rplusa + rplusb
3000 rate = rplus * (1 - (SR_Olivine^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Paragonite # NaAl3Si3O10(OH)2
-start
1 name$ = "Paragonite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 7.3e-4 #mol.m-2.s-1
1001 An = 3.48e-3	#mol.m-2.s-1 
1002 Ab = 6.0e-8 #mol.m-2.s-1
1003 Ea = 50000 #J.mol-1
1004 En = 70000	#J.mol-1
1005 Eb = 74000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1009 nb = -0.6
1011 Sig = 3
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Paragonite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Pargasite #NaCa2Al3Mg4Si6O22(OH)2, M 835.814 g/mol, kinetic parameters from glaucophane in DB P1
-start
1 name$ = "Pargasite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution only or precipitation only option---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 3.327e8 #mol.m-2.s-1
1001 Ab = 5000 #mol.m-2.s-1
1002 Ea = 85000 #J.mol-1
1003 Eb = 94400 #J.mol-1
1004 R =  8.314 #J.deg-1.mol-1
1005 na = 0.7
1006 nb = -0.12
1007 Sig = 6
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2010 rplus = rplusa + rplusb
3000 rate = rplus * (1 - (SR("Pargasite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Phlogopite	#KAlMg3Si3O10(OH)2; M 417.25
-start
1 name$ = "Phlogopite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution only or precipitation only option---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 5.90e-7 #mol.m-2.s-1
1001 An = 5e-9 #mol.m-2.s-1
1002 Ab = 4e-10 #mol.m-2.s-1
1003 Ea = 18200    #J.mol-1
1004 En = 22000    #J.mol-1
1005 Eb = 25500    #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 0.5
1009 nb = -0.16
1010 Sig = 3
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2001 rplusn = An * exp(-En/ (R * Tk)) * S
2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
2003 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR ("Phlogopite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Prehnite#Ca2Al2Si3O10(OH)2 ;M 415.1 g/mol
-start
1 name$ = "Prehnite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution only or precipitation only option---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 1.30e3 #mol.m-2.s-1 
1001 An = 1.0 #mol.m-2.s-1
1002 Ab = 1.53e1 #mol.m-2.s-1  
1003 Ea = 77000 #J.mol-1
1004 En = 80000 #J.mol-1
1005 Eb = 80000 #J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1007 ACTI = act("H+")
1008 na = 0.35
1009 nb = -0.075
1010 Sig = 3
		#rate equations 
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
2002 rplusn = An* (exp(-En/ (R * Tk)))* S
2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb )* S
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Prehnite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Pyrophyllite#Al2Si4O10(OH)2, M 363.908 g/mol
-start
1 name$ = "Pyrophyllite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution only or precipitation only option---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.60e4 #mol.m-2.s-1
1001 An = 1.5e-1	#mol.m-2.s-1 
1002 Ab = 2.0e-8 #mol.m-2.s-1
1003 Ea = 73000 #J.mol-1
1004 En = 67000	#J.mol-1
1005 Eb = 61000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.7
1010 nb = -0.7
1011 Sig = 4
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Pyrophyllite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Quartz#SiO2; M 60.08 g/mol
-start
1 name$ = "Quartz"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution only or precipitation only option---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa = 4.03e-4#mol/m2/s
1001 Ab = 0.105#mol/m2/s 
1002 na = 0.309
1003 nb = -0.41 
1004 Ea = 45600 
1005 Eb = 80000  
1006 R =  8.314 #J.deg-1.mol-1
1007 ACTI = act("H+")
1009 Sig = 1
		#rate equations
2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
2009 rplus = rplusa + rplusb
3000 rate = rplus * (1 - (SR("Quartz")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Riebeckite_ss#Na2Fe5Si8O22(OH)2, M 935.877 g/mol, kinetic parameters from tremolite
-start
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * 935.877 else S = m0 * ((m/m0)^(2/3)) * 935.877 * PARM(2)
4 GOTO 1000
5 S = PARM(2)*TOT("water")
10 SR_Riebeckite =((SR ("Wollastonite")*1)*(SR ("Jadeite")*2))*(SR ("Sillimanite")*(-2))
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR_Riebeckite < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR_Riebeckite > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 3.0e-3   #mol.m-2.s-1
1001 An = 2.0e-5 #mol.m-2.s-1
1002 Ea = 50000  #J.mol-1
1003 En = 48000  #J.mol-1
1004 R =  8.314 #J.deg-1.mol-1
1005 n = 0.22
1006 Sig = 8
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
2001 rplusn = An* (exp(-En/ (R * Tk)))* S
2010 rplus = rplusa + rplusn
3000 rate = rplus * (1 - (SR_Riebeckite^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Sanidine_high #KAlSi3O8; M 278.33 g/mol, kinetic parameters from K-feldspar in DB P1
-start
1 name$ = "Sanidine_high"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa = 0.05	# mol.m-2.s-1 
1001 An = 1.08e-2	# mol.m-2.s-1
1002 Ab = 1.2e-10	# mol.m-2.s-1
1003 Ea = 51700   # J/mol
1004 En = 60000   # J/mol
1005 Eb = 62195   # J/mol 
1006 R = 8.314 #J.deg-1.mol-1
1007 ACTI = act("H+") #
1008 Sig = 3
1009 nA = 0.45
1010 nb = -0.75
		#Rate Equation
3000 rplusa = Aa * ACTI^nA * exp (-Ea/ (R * Tk)) * S
3001 rplusn = An * exp (-En/ (R * Tk)) * S
3002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* ACTI^(nC) * S
3003 rplus = rplusa + rplusn + rplusb
4000 rate = rplus * (1 - SR("Sanidine_high")^(1/Sig))
5000 moles = rate * time
6000 save moles
-end

Saponite-Fe-Ca#Ca.175Fe3Al.35Si3.65O10(OH)2; M 480.5 g/mol
-start
1 name$ = "Saponite-Fe-Ca"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Saponite-Fe-Ca")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Saponite-Fe-Fe#Fe3.175Al.35Si3.65O10(OH)2; M 483.3  g/mol
-start
1 name$ = "Saponite-Fe-Fe"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Saponite-Fe-Fe")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Saponite-Fe-K#K.35Fe3Al.35Si3.65O10(OH)2; M 487.2  g/mol
-start
1 name$ = "Saponite-Fe-K"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Saponite-Fe-K")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Saponite-Fe-Mg#Mg.175Fe3Al.35Si3.65O10(OH)2 ; M 477.7  g/mol
-start
1 name$ = "Saponite-Fe-Mg"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R = 8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Saponite-Fe-Mg")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Saponite-Fe-Na#Na.35Fe3Al.35Si3.65O10(OH)2; M 481.5  g/mol
-start
1 name$ = "Saponite-Fe-Na"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Saponite-Fe-Na")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Saponite-Mg-Ca#Ca.175Mg3Al.35Si3.65O10(OH)2 ; M 385.9  g/mol
-start
1 name$ = "Saponite-Mg-Ca"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Saponite-Mg-Ca")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Saponite-Mg-Fe#Fe.175Mg3Al.35Si3.65O10(OH)2 ; M 388.6 g/mol
-start
1 name$ = "Saponite-Mg-Fe"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Saponite-Mg-Fe")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Saponite-Mg-K#K.35Mg3Al.35Si3.65O10(OH)2 ; M 392.6 g/mol
-start
1 name$ = "Saponite-Mg-K"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Saponite-Mg-K")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Saponite-Mg-Mg#Mg3.175Al.35Si3.65O10(OH)2  ; M 383.0 g/mol
-start
1 name$ = "Saponite-Mg-Mg"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Saponite-Mg-Mg")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Saponite-Mg-Na#Na.35Mg3Al.35Si3.65O10(OH)2; M 386.9 g/mol
-start
1 name$ = "Saponite-Mg-Na"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.65
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Saponite-Mg-Na")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Scolecite# CaAl2Si3O10:3H2O
-start
1 name$ = "Scolecite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.97 #mol.m-2.s-1
1001 An = 1.11e-3	#mol.m-2.s-1 
1002 Ab = 5.54e-4 #mol.m-2.s-1
1003 Ea = 33700 #J.mol-1
1004 En = 44200	#J.mol-1
1005 Eb = 44200	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.82
1009 nb = -0.2
1011 Sig = 3
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR ("Scolecite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Sepiolite #Mg4Si6O15(OH)2:6H2O,653.22 g/mol
-start
1 name$ = "Sepiolite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 5.89e-3 #mol.m-2.s-1
1001 An = 8.0e-7 #mol.m-2.s-1
1002 Ea = 50200  #J.mol-1
1003 En = 40700 #J.mol-1
1004 R =  8.314 #J.deg-1.mol-1
1005 n = 0.248
1006 Sig = 6
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
2001 rplusn = An* (exp(-En/ (R * Tk)))* S
2010 rplus = rplusa + rplusn
3000 rate = rplus * (1 - (SR("Sepiolite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

SiO2(am)#M 60.08 g/mol
-start
1 name$ = "SiO2(am)"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa = 4.563e-4#mol/m2/s
1001 Ab = 0.0353#mol/m2/s 
1002 na = 0.309
1003 nb = -0.41 
1004 Ea = 41610 
1005 Eb = 73000  
1006 R =  8.314 #J.deg-1.mol-1
1007 ACTI = act("H+")
1009 Sig = 1
		#rate equations
2002 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na)* S
2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb)* S
2009 rplus = rplusa + rplusb
3000 rate = rplus * (1 - (SR("SiO2(am)") ^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Smectite-high-Fe-Mg# Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12
-start
1 name$ = "Smectite-high-Fe-Mg"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.5
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Smectite-high-Fe-Mg")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end


Smectite-low-Fe-Mg# Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12; 395.5 g/mol
-start
1 name$ = "Smectite-low-Fe-Mg"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$))  else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.66e-3 #mol.m-2.s-1
1001 An = 9.0e-10	#mol.m-2.s-1 
1002 Ab = 1.5e-9 #mol.m-2.s-1
1003 Ea = 50798 #J.mol-1
1004 En = 30000	#J.mol-1
1005 Eb = 48000	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.55
1010 nb = -0.3
1011 Sig = 3.75
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))* (act("H+")^nb) * S 
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Smectite-low-Fe-Mg")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Spodumene# LiAlSi2O6;M 187.9 g/mol
-start
1 name$ = "Spodumene"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 490 #mol.m-2.s-1 
1001 An = 5.40e6 #mol.m-2.s-1  
1003 Ea = 46080 #J.mol-1
1004 En = 89538 #J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1007 ACTI = act("H+")
1008 na = 0.5
1010 Sig = 2
		#rate equations 
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
2002 rplusn = An* (exp(-En/ (R * Tk)))* S
2009 rplus = rplusa + rplusn
3000 rate = rplus * (1 - (SR("Spodumene")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Stilbite# Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12
-start
1 name$ = "Stilbite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 2.48e-2 #mol.m-2.s-1
1001 An = 1.39e-5	#mol.m-2.s-1 
1002 Ab = 3.5e-6 #mol.m-2.s-1
1003 Ea = 33700 #J.mol-1
1004 En = 44200	#J.mol-1
1005 Eb = 44200	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.82
1009 nb = -0.2
1011 Sig = 3.75
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Stilbite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Stilbite-Ca# CaAl2Si7O18:7H2O
-start
1 name$ = "Stilbite-Ca"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 2.48e-2 #mol.m-2.s-1
1001 An = 1.39e-5	#mol.m-2.s-1 
1002 Ab = 3.5e-6 #mol.m-2.s-1
1003 Ea = 33700 #J.mol-1
1004 En = 44200	#J.mol-1
1005 Eb = 44200	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.82
1009 nb = -0.2
1011 Sig = 3
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Stilbite-Ca")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Talc #Mg3Si4O10(OH)2,379.259 g/mol
-start
1 name$ = "Talc"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 0.004424914  #mol.m-2.s-1
1001 An = 1.56e-6 #mol.m-2.s-1
1002 Ea = 50200  #J.mol-1
1003 En = 40700 #J.mol-1
1004 R =  8.314 #J.deg-1.mol-1
1005 n = 0.36
1006 Sig = 4
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
2001 rplusn = An* (exp(-En/ (R * Tk)))* S
2010 rplus = rplusa + rplusn
3000 rate = rplus * (1 - (SR("Talc")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Tremolite #Ca2Mg5Si8O22(OH)2, 812.353 g/mol
-start
1 name$ = "Tremolite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 3.0e-3   #mol.m-2.s-1
1001 An = 2.0e-5 #mol.m-2.s-1
1002 Ea = 50000  #J.mol-1
1003 En = 48000  #J.mol-1
1004 R =  8.314 #J.deg-1.mol-1
1005 n = 0.22
1006 Sig = 8
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^n )* S
2001 rplusn = An* (exp(-En/ (R * Tk)))* S
2010 rplus = rplusa + rplusn
3000 rate = rplus * (1 - (SR("Tremolite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Thomsonite# Ca2NaAl5Si5O20:6H2O
-start
1 name$ = "Thomsonite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
        #Parameters
1000 Aa = 1.97 #mol.m-2.s-1
1001 An = 1.11e-3	 #mol.m-2.s-1 
1002 Ab = 5.54e-4 #mol.m-2.s-1
1003 Ea = 33700 #J.mol-1
1004 En = 44200	#J.mol-1
1005 Eb = 44200	#J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1008 na = 0.82
1009 nb = -0.2
1011 Sig = 5
		#rate equations
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na )* S
2001 rplusn = An* (exp(-En/ (R * Tk))) * S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(act("H+")^nb )* S
2009 rplus = rplusa + rplusn +rplusb
3000 rate = rplus * (1 - (SR("Thomsonite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Wollastonite#CaSiO3;M 117.1 g/mol
-start
1 name$ = "Wollastonite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 700 #mol.m-2.s-1 
1001 Ab = 20 #mol.m-2.s-1  
1003 Ea = 56000 #J.mol-1
1004 Eb = 52000 #J.mol-1
1006 R =  8.314 #J.deg-1.mol-1
1007 ACTI = act("H+")
1008 na = 0.4
1009 nb = 0.15
1010 Sig = 1
		#rate equations 
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
2002 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb )* S
2009 rplus = rplusa + rplusb
3000 rate = rplus * (1 - (SR("Wollastonite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Zoisite#Ca2Al3(SiO4)3OH;M 457.1 g/mol
-start
1 name$ = "Zoisite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##----------------- Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 if (SR (name$) < 1) Then GoTo 5000 else goto 1000# warning no dissolution reaction
200 if (SR (name$) > 1) Then GoTo 5000 else goto 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 1.09 #mol.m-2.s-1 
1001 An = 5.13e-5 #mol.m-2.s-1 
1002 Ab = 1.40e-9 #mol.m-2.s-1 
1003 Ea = 60000 #J.mol-1
1004 En = 43200 #J.mol-1
1005 Eb = 42300 #J.mol-1
1006 R = 8.314 #J.deg-1.mol-1
1007 ACTI = act("H+")
1008 na = 0.30
1009 nb = -0.4
1010 Sig = 3
		#rate equations 
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(ACTI^na )* S
2002 rplusn = An* (exp(-En/ (R * Tk)))* S
2003 rplusb = Ab* (exp(-Eb/ (R * Tk)))*(ACTI^nb )* S
2009 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR("Zoisite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

#### Non-silicate minerals including carbonate, sulfide, phosphate, halide, and oxy-hydroxide minerals###############################

Anglesite	#PbSO4; M 303.264 g/mol
-start
1 name$ = "Anglesite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 5.0e-2 #mol.m-2.s-1
1002 Ab = 2e-14 #mol.m-2.s-1
1003 Ea = 26000    #J.mol-1
1005 Eb = 26000    #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 0.11
1009 nb = -1.0
1010 Sig = 1
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
2003 rplus = rplusa + rplusb
3000 rate = rplus * (1 - (SR ("Anglesite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Anhydrite #CaSO4; M 136.14 g/mol
-start
1 name$ = "Anhydrite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 5.30e3 #mol.m-2.s-1
1003 Ea = 37700    #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 0.11
1010 Sig = 1
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2003 rplus = rplusa
3000 rate = rplus * (1 - (SR ("Anhydrite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Fluorapatite #Ca5(PO4)3F ; M 504.302 g/mol
-start
1 name$ = "Fluorapatite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 80 #mol.m-2.s-1
1002 Ab = 3e-2 #mol.m-2.s-1
1003 Ea = 43000    #J.mol-1
1005 Eb = 43000 #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 0.8
1009 nb = 0.2
1010 Sig = 5   
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
2003 rplus = rplusa + rplusb
3000 rate = rplus * (1 - (SR ("Fluorapatite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Hydroxyapatite #Ca5(OH)(PO4)3 ; M 502.31 g/mol
-start
1 name$ = "Hydroxyapatite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 80 #mol.m-2.s-1
1002 Ab = 3e-2 #mol.m-2.s-1
1003 Ea = 43000    #J.mol-1
1005 Eb = 43000 #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 0.8
1009 nb = 0.2
1010 Sig = 5   
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
2003 rplus = rplusa + rplusb
3000 rate = rplus * (1 - (SR ("Hydroxyapatite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Barite #BaSO4 ; M 233.404 g/mol
-start
1 name$ = "Barite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 2.5e-3 #mol.m-2.s-1
1003 Ea = 26000    #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 0.11
1010 Sig = 1   
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2003 rplus = rplusa 
3000 rate = rplus * (1 - (SR ("Barite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Boehmite #AlO2H  : M 59.988 g/mol
-start
1 name$ = "Boehmite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 2.85 #mol.m-2.s-1
1001 An = 4.2e-3 #mol.m-2.s-1
1002 Ab = 5.4e-11 #mol.m-2.s-1
1003 Ea = 60000    #J.mol-1
1004 En = 60000    #J.mol-1
1005 Eb = 60000    #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 1.0
1009 nb = -1
1010 Sig = 1
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2001 rplusn = An * exp(-En/ (R * Tk)) * S
2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
2003 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR ("Boehmite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Brucite #Mg(OH)2 ; M 58.32 g/mol
-start
1 name$ = "Brucite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 1.2e4 #mol.m-2.s-1
1003 Ea = 60000    #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 0.19
1010 Sig = 1
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2003 rplus = rplusa 
3000 rate = rplus * (1 - (SR ("Brucite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Celestite  #SrSO4 ; M 183.684 g/mol
-start
1 name$ = "Celestite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 3.8e-2 #mol.m-2.s-1
1003 Ea = 24000    #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 0.11
1010 Sig = 1   
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2003 rplus = rplusa 
3000 rate = rplus * (1 - (SR ("Celestite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end
		
Diaspore #AlHO2 : M 59.99 g/mol
-start
1 name$ = "Diaspore"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 2.85 #mol.m-2.s-1
1001 An = 4.2e-3 #mol.m-2.s-1
1002 Ab = 5.4e-11 #mol.m-2.s-1
1003 Ea = 60000    #J.mol-1
1004 En = 60000    #J.mol-1
1005 Eb = 60000    #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 1.0
1009 nb = -1.0
1010 Sig = 1
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2001 rplusn = An * exp(-En/ (R * Tk)) * S
2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
2003 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR ("Diaspore")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Fluorite  #CaF2 ; M 78.075 g/mol
-start
1 name$ = "Fluorite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 1.2e6 #mol.m-2.s-1
1003 Ea = 75000    #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 0.12
1010 Sig = 1   
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2003 rplus = rplusa 
3000 rate = rplus * (1 - (SR ("Fluorite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Gibbsite #Al(OH)3 : M 78.00 g/mol
-start
1 name$ = "Gibbsite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 20.0 #mol.m-2.s-1
1001 An = 3.0e-2 #mol.m-2.s-1
1002 Ab = 3.0e-10 #mol.m-2.s-1
1003 Ea = 60000    #J.mol-1
1004 En = 60000    #J.mol-1
1005 Eb = 60000    #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 1.0
1009 nb = -1.0
1010 Sig = 1
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2001 rplusn = An * exp(-En/ (R * Tk)) * S
2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
2003 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR ("Gibbsite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Gypsum #CaSO4:2H2O : M 172.17 g/mol
-start
1 name$ = "Gypsum"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 1.8e4 #mol.m-2.s-1
1003 Ea = 37700    #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 0.11
1010 Sig = 1
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2003 rplus = rplusa 
3000 rate = rplus * (1 - (SR ("Gypsum")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end
	
Halite #NaCl : M 58.44 g/mol
-start
1 name$ = "Halite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1001 An = 3.3e-4 #mol.m-2.s-1
1004 En = -22340    #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1010 Sig = 1
		#rate equation
2001 rplusn = An * exp(-En/ (R * Tk)) * S
2003 rplus =rplusn
3000 rate = rplus * (1 - (SR ("Halite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Monazite-Ce #CePO4  : M 235.087 g/mol
-start
1 name$ = "Monazite-Ce"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 1.0e-4 #mol.m-2.s-1
1001 An = 1.0e-7 #mol.m-2.s-1
1002 Ab = 1.2e-11 #mol.m-2.s-1
1003 Ea = 43000    #J.mol-1
1004 En = 43000    #J.mol-1
1005 Eb = 43000    #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 0.7
1009 nb = -0.5
1010 Sig = 1
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2001 rplusn = An * exp(-En/ (R * Tk)) * S
2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
2003 rplus = rplusa + rplusn + rplusb
3000 rate = rplus * (1 - (SR ("Monazite-Ce")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end
	
Periclase #MgO : M 40.304 g/mol
-start
1 name$ = "Periclase"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 1.2e4 #mol.m-2.s-1
1003 Ea = 60000    #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 0.19
1010 Sig = 1
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2003 rplus = rplusa 
3000 rate = rplus * (1 - (SR ("Periclase")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Pyromorphite  #Pb5(PO4)3Cl ; M 1356.365 g/mol 
-start
1 name$ = "Pyromorphite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 58 #mol.m-2.s-1
1003 Ea = 43000    #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 0.68
1010 Sig = 5   
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2003 rplus = rplusa 
3000 rate = rplus * (1 - (SR ("Pyromorphite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

Variscite #AlPO4:2H2O ; M 157.983 g/mol
-start
1 name$ = "Variscite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction
##------------------Kinetic calculation---------------------##
		# parameters
1000 Aa = 5.0e-4 #mol.m-2.s-1
1002 Ab = 2.4e-7 #mol.m-2.s-1
1003 Ea = 43000    #J.mol-1
1005 Eb = 43000 #J.mol-1
1006 R =  8.314    #J.deg-1.mol-1
1007 ACTI = ACT ("H+")
1008 na = 0.3
1009 nb = -0.3
1010 Sig = 1   
		#rate equation
2000 rplusa = Aa * ACTI^na  * exp(-Ea/ (R * Tk)) * S
2002 rplusb = Ab * ACTI^nb  * exp(-Eb/ (R * Tk)) * S
2003 rplus = rplusa + rplusb
3000 rate = rplus * (1 - (SR ("Variscite")^(1/Sig)))
4000 moles = rate * time
5000 save moles
-end

## carbonates

Aragonite   #CaCO3; M 100.0869 g/mol
-start
1 name$ = "Aragonite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa =11.025# mol.m-2.s-1
1001 Ac = 122.5 # mol.m-2.s-1
1002 Ea =16000# J/mol
1003 Eac =48000# J/mol
1004 R = 8.314 #J.deg-1.mol-1
1006 Sig = 1  
1007 na =1
1008 kc =160	
1009 act_c = act("HCO3-")+act("CO3-2")
1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
2002 rplus = rplusa + rplusc
4000 rate = rplus * (1 - SR("Aragonite")^(1/Sig)) 
5000 moles = rate * time
6000 save moles
-end


Calcite   #CaCO3; M 100.0869 g/mol
-start
1 name$ = "Calcite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa =5.625# mol.m-2.s-1
1001 Ac = 62.5 # mol.m-2.s-1
1002 Ea =16000# J/mol
1003 Eac =48000# J/mol
1004 R = 8.314 #J.deg-1.mol-1
1006 Sig = 1  
1007 na =1
1008 kc =160	
1009 act_c = act("HCO3-")+act("CO3-2")
1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
2002 rplus = rplusa + rplusc
4000 rate = rplus * (1 - SR("Calcite")^(1/Sig)) 
5000 moles = rate * time
6000 save moles
-end


Cerussite   #PbCO3; M 267.2089 g/mol
-start
1 name$ = "Cerussite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa =2.55# mol.m-2.s-1
1001 Ac = 45.45 # mol.m-2.s-1
1002 Ea =16000# J/mol
1003 Eac =48000# J/mol
1004 R = 8.314 #J.deg-1.mol-1
1006 Sig = 1  
1007 na =1
1008 kc =160	
1009 act_c = act("HCO3-")+act("CO3-2")
1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
2002 rplus = rplusa + rplusc
4000 rate = rplus * (1 - SR("Cerussite")^(1/Sig)) 
5000 moles = rate * time
6000 save moles
-end

Dawsonite # NaAlCO3(OH)2 : M 144.0 g/mol
-start
1 name$ = "Dawsonite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa =1.6e5# mol.m-2.s-1
1001 Ac = 0.3 # mol.m-2.s-1
1002 Ea =55000# J/mol
1003 Eac =55000# J/mol
1004 R = 8.314 #J.deg-1.mol-1
1006 Sig = 1  
1007 na =1
1008 kc =0	
1009 act_c = act("HCO3-")+act("CO3-2")
1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
2002 rplus = rplusa + rplusc
4000 rate = rplus * (1 - SR("Dawsonite")^(1/Sig)) 
5000 moles = rate * time
6000 save moles
-end

Dolomite # CaMg(CO3)2: M 184.40 g/mol !!!
-start
1 name$ = "Dolomite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa =1.2e-3# mol.m-2.s-1
1001 Ac = 650 # mol.m-2.s-1
1002 Ea =10000# J/mol
1003 Eac =65000# J/mol
1004 R = 8.314 #J.deg-1.mol-1
1006 Sig = 1.9  
1007 na =0.5
1008 kc =160	
1009 act_c = act("HCO3-")+act("CO3-2")
1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
2002 rplus = rplusa + rplusc
4000 rate = rplus * (1 - SR("Dolomite")^(1/Sig)) 
5000 moles = rate * time
6000 save moles
-end


Gaspite # NiCO3: M 118.702 g/mol
-start
1 name$ = "Gaspite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa =2.6e-6# mol.m-2.s-1
1001 Ac = 6.73e-3 # mol.m-2.s-1
1002 Ea =16000# J/mol
1003 Eac =48000# J/mol
1004 R = 8.314 #J.deg-1.mol-1
1006 Sig = 3.73  
1007 na =0.55
1008 kc =1000	
1009 act_c = act("HCO3-")+act("CO3-2")
1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
2002 rplus = rplusa + rplusc
4000 rate = rplus * (1 - SR("Gaspite")^(1/Sig)) 
5000 moles = rate * time
6000 save moles
-end


Magnesite # MgCO3: M 84.314 g/mol
-start
1 name$ = "Magnesite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa =5e-4# mol.m-2.s-1
1001 Ac = 2.7e-2 # mol.m-2.s-1
1002 Ea =16000# J/mol
1003 Eac =45000# J/mol
1004 R = 8.314 #J.deg-1.mol-1
1006 Sig = 3.94 
1007 na =0.66
1008 kc =380	
1009 act_c = act("HCO3-")+act("CO3-2")
1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
2002 rplus = rplusa + rplusc
4000 rate = rplus * (1 - SR("Magnesite")^(1/Sig)) 
5000 moles = rate * time
6000 save moles
-end


Otavite # CdCO3: M 172.419 g/mol
-start
1 name$ = "Otavite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa =1.02# mol.m-2.s-1
1001 Ac = 11.36 # mol.m-2.s-1
1002 Ea =16000# J/mol
1003 Eac =48000# J/mol
1004 R = 8.314 #J.deg-1.mol-1
1006 Sig = 1 
1007 na =1
1008 kc =160	
1009 act_c = act("HCO3-")+act("CO3-2")
1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
2002 rplus = rplusa + rplusc
4000 rate = rplus * (1 - SR("Otavite")^(1/Sig)) 
5000 moles = rate * time
6000 save moles
-end

Rhodochrosite #MnCO3  : M 114.95 g/mol
-start
1 name$ = "Rhodochrosite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa =2.28e-3# mol.m-2.s-1
1001 Ac = 0.4 # mol.m-2.s-1
1002 Ea =16000# J/mol
1003 Eac =48000# J/mol
1004 R = 8.314 #J.deg-1.mol-1
1006 Sig = 4.65 
1007 na =0.5
1008 kc =1000	
1009 act_c = act("HCO3-")+act("CO3-2")
1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
2002 rplus = rplusa + rplusc
4000 rate = rplus * (1 - SR("Rhodochrosite")^(1/Sig)) 
5000 moles = rate * time
6000 save moles
-end

Siderite # FeCO3: M 115.856 g/mol !!!
-start
1 name$ = "Siderite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa =2e-3# mol.m-2.s-1
1001 Ac = 0.2 # mol.m-2.s-1
1002 Ea =16000# J/mol
1003 Eac =48000# J/mol
1004 R = 8.314 #J.deg-1.mol-1
1006 Sig = 4
1007 na =0.7
1008 kc =160	
1009 act_c = act("HCO3-")+act("CO3-2")
1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
2002 rplus = rplusa + rplusc
4000 rate = rplus * (1 - SR("Siderite")^(1/Sig)) 
5000 moles = rate * time
6000 save moles
-end


Smithsonite # ZnCO3: M 125.399 g/mol  !!!
-start
1 name$ = "Smithsonite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa =1.94# mol.m-2.s-1
1001 Ac = 8.89 # mol.m-2.s-1
1002 Ea =16000# J/mol
1003 Eac =48000# J/mol
1004 R = 8.314 #J.deg-1.mol-1
1006 Sig = 2
1007 na =1
1008 kc =200	
1009 act_c = act("HCO3-")+act("CO3-2")
1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
2002 rplus = rplusa + rplusc
4000 rate = rplus * (1 - SR("Smithsonite")^(1/Sig)) 
5000 moles = rate * time
6000 save moles
-end


Strontianite # ZnCO3: M 125.399 g/mol
-start
1 name$ = "Strontianite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa =2.2e-3# mol.m-2.s-1
1001 Ac = 8.89 # mol.m-2.s-1
1002 Ea =16000# J/mol
1003 Eac =48000# J/mol
1004 R = 8.314 #J.deg-1.mol-1
1006 Sig = 1
1007 na =1
1008 kc =240	
1009 act_c = act("HCO3-")+act("CO3-2")
1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
2002 rplus = rplusa + rplusc
4000 rate = rplus * (1 - SR("Strontianite")^(1/Sig)) 
5000 moles = rate * time
6000 save moles
-end


Witherite # BaCO3: M 197.349 g/mol !!!
-start
1 name$ = "Witherite"
2 if (PARM(1) = 0) then  goto 3 else goto 5
3 if PARM(3) = 0 then S = PARM(2) * m * GFW(PHASE_FORMULA(name$)) else S = m0 * ((m/m0)^(2/3)) * GFW(PHASE_FORMULA(name$)) * PARM(2)
4 GOTO 100
5 S = PARM(2)*TOT("water")
##-----------------Dissolution and precipitation options---------------------##
100  if (PARM(4) = 0) then  goto 1000 else goto 110 
110 if (PARM(4) = 1) Then GoTo 150 else goto 200 # 
150 If (SR (name$) < 1) Then GoTo 5000 else GoTO 1000 # warning no dissolution reaction
200 If (SR (name$) > 1) Then GoTo 5000 else GoTO 1000 # warning no precipitation reaction#
##------------------Kinetic calculation---------------------##
		#Parameters
1000 Aa =35# mol.m-2.s-1
1001 Ac = 12 # mol.m-2.s-1
1002 Ea =16000# J/mol
1003 Eac =48000# J/mol
1004 R = 8.314 #J.deg-1.mol-1
1006 Sig = 1
1007 na =1
1008 kc =160	
1009 act_c = act("HCO3-")+act("CO3-2")
1010 carb_term = 1-(kc*act_c)/(1+kc*act_c)
2000 rplusa = Aa* (exp(-Ea/ (R * Tk)))*(act("H+")^na)* S
2001 rplusc = Ac* (exp(-Eac/ (R * Tk)))*carb_term
2002 rplus = rplusa + rplusc
4000 rate = rplus * (1 - SR("Witherite")^(1/Sig)) 
5000 moles = rate * time
6000 save moles
-end
	
###!



