#Wed Oct 10 09:47:26 CEST 2018
BA79=GEOCHEM. OF HYDR. ORE DEPOSITS, EDITOR H.L.BARNES,2ND ED., WILEY 1979 A EXTRAPOLATED FROM DATA IN BA79, CORRECTED FOR PRESSURE AND IONIC STR. AND 25 C VALUES IN WEBSTER, 1986, GEOCH.COSM.ACTA,50, 1837-1845 B BA79, BUT AVERAGE VALUE OF DATA FROM ALL GIVEN (INCONSISTENT) REACTIONS C BA79, IGNORING VALUE AT 277 AND 353 C, AND WITH 300 C VALUE OF ZOTOV ET AL, 1986, GEOCH.INT. 23/3, 23-33
BAR77=Barin, I., Knacke, O., and Kubaschewski, O., 1977, Thermochemical properties of inorganic substances (supplement)\: Berlin, Springer-Verlag, 861 p.
BI89=Barin,I., ed., 1989, Thermochemical data of pure substances, 1739pp. VCH Weinheim.
BO83=BOURCIER, 1983, PH.D.THESIS, PENN. STATE. U.
BO86=BOURCIER & BARNES, 1986, PREPRINT\: ORE SOLUTION CHEM. VII. STABILITIES OF CHLORIDE COMPLEXES OF ZINC TO 350 C., SUBMITTED TO ECON. GEOL.
BO88=BOURCIER IRON CHLORIDE DATA. PERS. COMM. REHASH OF CRERAR EXPERIMENTAL DATA.
BS78=BISCHOFF & SEYFRIED, 1978, AM. J. SCI., 278, 838-860, (SIEBERT AND CHRIST, WRITTEN COMMUN., MAY 1977) ALSO SIEBERT AND HOSTETLER, 1977, AJS,277,697-734
BU86=BUSENBERG AND PLUMMER, 1986, GCA,50,2225-2233.  Extrapolated above 100 C by isocoulombic method by using Calcium analogs. jdd & mr 91
Bess05=Bessinger, Brad, and Apps, John A. The Hydrothermal Chemistry of Gold, Arsenic, Antimony, Mercury and Silver. Unpublished manuscript. Also includes new data for HS- and H2S. Data added to supcrt and log K's for all relevant phases and species recomputed, plus many new ones. April-May 2005.
Diak98a=Diakonov, I.I., Tagirov, B.R., Ragnarsdottir, K.V., 1998. Standard thermodynamic properties and heat capacity equations for rare earth element hydroxides\: I. La(OH)3(s) and Nd(OH)3(s). Comparison of thermochemical and solubility data. Radiochimica Acta 81, 107-116. Data added to Supcrt spronshp.
Diak98b=Diakonov, I.I., Ragnarsdottir, K.V., Tagirov, B.R., 1998. Standard thermodynamic properties and heat capacity equations of rare earth hydroxides\: II. Ce(III)-, Pr-, Sm-, Eu(III)-, Gd-, Tb-, Dy-, Ho-, Er-, Tm-, Yb-, and Y-hydroxides. Comparison of thermochemical and solubility data. Chem. Geol. 151, 327-347. Data added to Supcrt spronshp, except Ce, Sm, Dy, Er, Tm, and Yb because heat capacity coefficients are absen for these.
Ding2002=Ding, R., Wood, S.A., 2002. The aqueous geochemistry of the rare earth elements and yttrium. Part X. Potentiometric determination of stability constants of acetate complexes of La3+, Nd3+, Gd3+, and Yb3+ at 25-70 \uFFFDC and 1 bar, in\: Hellman, R., Wood, S.A. (Eds.), Water-Rock Interactions, Ore Deposits, and Environmental Geochemistry\: A Tribute to David A Crerar. The Geochemical Society, Special Publication No.7. The Geochemical Society, St. Louis, Mo.
EG71=ELLIS & GIGGENBACH, 1971, GCA, 45, 2201-2212.
EH82=Hogfeldt, E. (1982) Stability constants of metal-ion complexes. Part A\:  Inorganic ligands.  International Union of Pure and Applied Chemistry, Pergamon Press.  NiCl2 has been extrapolated by drawing its curve parallel to that of the other transition metal complexes.
FTA=Fernando Tornos; Scheelite from Heinrich (1991 com.pers.)
GK94=Giordano, T.H. & Kharaka, Y.K.,1994. Organic Ligand distribution and speciation in sedimentary basin brines, diagenetic fluids and related ore solutions. from Parnell, J. Geofluids\: Origin, Migration and Evolution of Fluids in Sedimentary Basins.
Gaboreau04=Gaboreau, S., Vieillard, P., 2004. Prediction of Gibbs free energies of formation of minerals of the alunite supergroup. Geochim. Cosmochim. Acta 68, 3307-3316.
Gysi15=Gysi, A.P., Williams-Jones, A.E., 2015. The thermodynamic properties of bastn\uFFFDsite-(Ce) and parisite-(Ce). Chem. Geol. 392, 87-101.
H&P2011=Holland, T.J.B., Powell, R., 2011. An improved and extended internally consistent thermodynamic dataset for phases of petrological interest, involving a new equation of state for solids. J. Metamorph. Geol. 29, 333-383. The version used for data herein is an updated version\: http\://www.metamorph.geo.uni-mainz.de/thermocalc/dataset6/downloads/pc62.zip Using file tc-ds62.txt therein. Equilibrium constants are calculated with a modified version of SUPCRT92, (in Johnson J.W., Oelkers, E.H., and Helgeson, H.C., 1992, Computers and Geosciences, v18 pp 899-947) modified to use Holland and Powell heat capacity regression model\: a + bT + cT^-2 + dT^-(1/2). Equilibrium constants calculated with aqueous species data from Shock07.
HC88=HENNET, R.J.C, CRERAR, D.A., & SCHWARTZ, J., 1988, ECONOMIC GEOLOGY V. 83, 742-764 with graphical extrapolations (Reed) of PbAc3-, CaOxal\=, ZnAc3-, ZnAc2, ZnOH, PbOH and NaAc.
HE90\ FTA=HEINRICH,1990, ECON.GEOL.,85-3 data between 200 and 400\uFFFDC
HH69=HELGESON, 1969, AM. J. SCI., 267,729-804.
HL84B=HENLEY, 1984, REVIEWS IN ECONOMIC GEOLOGY VOL. 1, P90
HP2011j=Anorthite-albite plag solid solutions (an20ab80, an25ab75, an30ab70) with imposed ideal mixing. Linear combination of log K's, minus stabililty from ideal mixing, (X1 * ln(X1) + X2 * ln(X2))/2.303. Useful approximations for the given compositions (peristerite gap.). Mixed amphibole tr.625ac.25prg.125, also with imposed ideality.
Holl&P98=Holland, T. J. B.  and Powell, R., 1998, An internally consistent thermodynamic data set for phases of petrological interest. Journal of Metamorphic Geology, v. 16, p. 309-343. Also on web at\: http\://www.esc.cam.ac.uk/astaff/holland/ Equilibrium constants calculated with a modified version of SUPCRT92, (in Johnson J.W., Oelkers, E.H., and Helgeson, H.C., 1992, Computers and Geosciences, v18 pp 899-947) modified to use Holland and Powell heat capacity regression model\: a + bT + cT^-2 + dT^-(1/2).
IL95=Personal communication, Robert Ilchik, U. Arizona, compilation and message using G(298) from Kashkay, et al, 1975 (Geochem. Internat., 12, 115-121); estimated entropy, estimated Cp. Ilchik cautions users about entropy value.
IS94=Daizo Ishiyama, Manuscript, 1994, submitted to Econ Geol.
IZ69=EXTRAPOLATED FROM IZATT ET AL, 1969, J.CHEM.SOC.(A) 47. Reextrapolated using the isocoulombic method against ZnSO4
JA83?=Janecky and Seyfried, 1983, Am J Sci, v283 n8, pp 831-860.
JH85\ FTA=JACKSON & HELGESON,1985,GEO.COSMO.ACTA,49,1-22.F.TORNOS
Janots07=Janots, E. et al. 2007. Thermochemistry of monazite-(La) and dissakisite-(La)\: implications for monazite and allanite stability in metapelites. Contrib. Mineral Petrol. 154, 1-14.
KB73=KARAKA & BARNES, 1973, NTIS, U.S.DEPT COMMERCE, PB215 899,92P.
KH88=Kharaka et al. 1988. SOLMINEQ.88\: A computer program for geochemical modeling of water-rock interactions. USGS Water-Resources Investigations Report 88-4227
Knauss01=Knauss, K.G., Dibley, M.J., Bourcier, W.L., Shaw, H.F., 2001. Ti(IV) hydrolysis constants derived from rutile solubility measurements made from 100 to 300\uFFFDC. Appl. Geochem. 16, 1115-1128.
LA70=EXTRAPOLATED FROM DATA OF LARSON, 1970, J.PHYS.CHEM. 74, 3392
Liu2017=Liu, Weihua et al. (2017) Revisiting the hydrothermal geochemistry of europium(II/III) in light of new in-situ XAS spectroscopy results. Chemical Geology 459, 61\uFFFD74. Average of analagous Ca, Sr complexes, EuCO3, Eu(HCO3)+, EuCl+, EuF+, EuOH+
MA07=Matschei, Thomas; Lothenbach, Barbara; Glasser, Fredrik P., 2007, Thermodynamic properties of Portland cement hydrates in the system CaO\uFFFDAl2O3\uFFFDSiO2\uFFFDCaSO4\uFFFDCaCO3\uFFFDH2O\: Cement and Concrete Research, v. 37, n. 10, pp. 1379-1410
MA67=MARSHALL, 1967, J.PHYS.CHEM. 71, 3584
MGC2016=Migdisov, A., Williams-Jones, A.E., Brugger, J., Caporuscio, F.A., 2016. Hydrothermal transport, deposition, and fractionation of the REE\: Experimental data and thermodynamic calculations. Chem. Geol. 439, 13-42. NOTE\: A Compilation from many sources.
MW88=Mountain, B., Wood, S., 1988, ECONOMIC GEOLOGY, 83, 492-510.
MigInt08=EuSO4+, Eu(SO4)2-, GdSO4+, Gd(SO4)2-, TbSO4+, Tb(SO4)2-, DySO4+, Dy(SO4)2-, HoSO4+, Ho(SO4)2- interpolated from Migdisov08. LaSO4+, La(SO4)2-, CeSO4+, Ce(SO4)2-, PrSO4+, Pr(SO4)2-, TmSO4+, Tm(SO4)2-, YbSO4+, Yb(SO4)2-, LuSO4+, Lu(SO4)2-, extrapolated.
Migdisov08=Migdisov, A.A., Williams-Jones, A.E., 2008. A spectrophotometric study of Nd(III), Sm(III) and Er(III) complexation in sulfate-bearing solutions at elevated temperatures. GCA 72, 5291-5303. These records show "Migdisov08" as the data source.
Migdisov09=Migdisov, A.A., Williams-Jones, A.E., Wagner, T., 2009. An experimental study of the solubility and speciation of the REE (III) in fluoride- and chloride-bearing aqueous solutions at temperatures up to 300 \uFFFDC. GCA 73, 7087\uFFFD7109.
PA86\ FTA=Pabalan (1986) Ph.D. Thesis
PH88=Phillips, S.L., Hale, F.V., Silvester,L.F. Siegel,M.D., 1988. Thermodynamic Tables for Nuclear Waste Isolation\: Aqueous Solutions Database. LBL. High temperature extrapolations based upon constant heat capacity.
PS85=Penn State Data Set, 1985 (approx time)
PW94=Pan & Wood, 1994, MINERALIUM DEPOSITA, 29, 309-317, 373-390, Data modified using supercritical data from BI89.
Pkr15=Pokrovski, G. S. and J. Dubessy (2015). Stability and abundance of the trisulfur radical ion S3- in hydrothermal fluids." Earth and Planetary Science Letters 411, 298-309. EOS paramters put into both slop07.dat and spronshp.dat.
Poitr04=Poitrasson, F., Oelkers, E., Schott, J., Montel, J.-M., 2004. Experimental determination of synthetic NdPO4 monazite end-member solubility in water from 21\uFFFDC to 300\uFFFDC\: Implications for rare earth element mobility in crustal fluids. Geochim. Cosmochim. Acta 68, 2207-2221.
RG97=V.Roland Goodgame, UO PhD dissertation (1997) The distribution and origin of arsenic and platinum group element mineralization in the Mariners nickel deposit, Widgiemooltha, Western Australia. Ph.D. thesis, University of Oregon. Estimated from plotting thermodynamic data for endmembers Ni9S8 and Fe9S8 against sulfur to cation ratio, then forming an ideal mixing model for pentlandite. The second model for pentlandite contains experimental enthalpy of formation from Cemic and Kleppa, 1987, Physics and Chem. of Minerals, v. 14, pp. 52-57. Gersdorffite and cobaltite estimated by assumption of equilibrium with other sulfides and eqtrapolated using Cp for cobaltite from Naumov et al., 1971,HNBK THERMOCHEM. DATA, SPRAVOCHNIK TERMODINACHESNIKH VELICHNIN, MOSCOW ATOMIZDAT, 239 P.
RH95=Robie, R.A. and Hemingway, B.S. (1995). Thermodynamic properties of minerals and related substances at 298.15K and 1 bar (105 pascals) and at higher temperatures. USGS Bulletin 2131\: 1-461. Minerals with five heat capacity coefficients re-regressed to have four as in Holland and Powell.
RHF78=Robie, R.A. et al. (1978). Thermodynamic properties of minerals and related substances at 298.15K and 1 bar (105 pascals) and at higher temperatures. USGS Bulletin 1452\: 1-456. Delta G recalculated using entropy of the elements from Helgeson, H.C., et al, 1978, Am J Sci v278A, and Wagman, D.D., et al, 1982, J Phys and Chem Ref Data, v11, supp. 11.
RSH94=Chalcocite data added to supcrt to get new log K's here. Cu-Fe-S minerals (cv, cc, cp, bn only) Robie, Seal and Hemingway, Can Min, 32, p945-956 (1994). GHSV only, but original supcrt heat capacity data kept. Abandon this cp, too stable, resume Shock data.
S&P2010=Spear, F.S., Pyle, J.M., 2010. Theoretical modeling of monazite growth in a low-Ca metapelite. Chem. Geol. 273, 111-119.
SB91=Schoonen, M.A.A. and Barnes, H.L., 1991. GCA v55, pp 1495-1504
SK93=Shock,E.L. and Koretsky,C.M., GCA 59,1497-1532
SM64=Extrapolated from data in Sillen & Martel, 1964
SM76=Extrapolated from data in Smith & Martel, 1976
SR89b=As, Sb oxyacid and acid species, Spycher and Reed, 1989, Econ. Geol., 84, 328-359 and references therein, especially Sergeyeva and Khodakovskyi, 1969, GEOCH.INT, 6, 681-694 (As) and Popova, et al, 1975, Geokhimiia, 6, 835-843.
SR89c=Hg, Au, Ag aqueous species and solids and gases of As, Sb, Hg, Cu, and others, Spycher and Reed, 1989, Econ. Geol., 84, 328-359 and references therein.
ST88=Sepiolite DG, DH, Cp, S, V from Stoessell, R.K., 1988. 25\uFFFDC and 1 atm dissolution experiments of sepiolite and kerolite, GCA 52, 365-374. DG recalculated using old SiO2,aq and new H4SiO4,aq, so that log K at STP is unchanged. Since Supcrt uses DH and S instead of DG, also recalculate DH using S, S-elements, and DG.
SW76=Terry Seward, 1976, GCA, 40, 1329-1341.
Sack00=Sack, R.O., 2000. Internally consistent database for sulfides and sulfosalts in the system Ag2S-Cu2S-ZnS-Sb2S3-As2S3. Geochim. Cosmochim. Acta 64, 3803-3812.
Shock07=From E.Shock's most current supcrt data available at\: http\://geopig.asu.edu/sites/default/files/slop07.dat Add molybdenite, goethite, iron, and selenium as minerals, and HMoO4- and updated CO2,aq aquoues species. SEE MODIFICATION NOTES ABOVE. Equilibrium constants calculated with SUPCRTHP modified from SUPCRT92, in Johnson J.W., Oelkers, E.H., and Helgeson, H.C., 1992, Computers and Geosciences, v18 pp 899-947.
Soltherm=The file "soltherm.REE_working.xpt" version "v.65.2018.09.25" downloaded from http\://pages.uoregon.edu/palandri/
Spear10=Spear, F.S., 2010. Monazite\uFFFDallanite phase relations in metapelites. Chem. Geol. 279, 55-62.
Stef01=Stefansson, Andri, 2001, Chem. Geol. 172, 225-250. Data for H4SiO4 therein were added to Shock07 aqueous species data. Log K's for all silicate minerals were re-computed using these data. Note that *almost* all silicate minerals recomputed for the full P-T grid are from Holland and Powell (2011) A notable exception would be the cement mineral data from MA07.
TL80B=Tremaine, P.R. and LeBlanc, J.C. (1980) The solubility of nickel oxide and hydrolysis of Ni++ in water to 573 K.  Journal of Chemical Thermodynamics, v. 12, pp 521-538.
WH77=CHALCEDONY - Cp, S, V from quartz in Holland and Powell 2011; Delta H, G @ 25C adjusted so that the difference between chalcedony and HP2011 quartz is the same as the differences in Walther and Helgeson 1977, Calculation of the thermodynamic properties of aqueous silica and the solubility of quartz and its polymorphs at high pressures and temperatures. Am. J. Sci. 277, 1315-1351. AMORPHOUS SILICA - Cp, S, V from amorphous-silica in Walther and Helgeson 1977. Delta H, G @ 25C adjusted so that the differences between amorphous silica and quartz are the same as the difference in Walther and Helgeson 1977. W&H data valid to 375C. WO90\:EQ3/6 data base from Bill Borcier, LLNL, 1990. Smectite clays, U-species and minerals. Data for all uranium-bearing aqueous species and minerals are from the EQ3/6 data base, 1990 version.
WM91\ FTA=I Wosteyovskaya 1991 SGA, 715 not working   -MINERALS\:
WM92A=Wood, Mountain, & Pan, 1992, CAN. MIN., 30, 955-982.Data at 25 C extrapolated by method in Gu, Y.,Gammons, C., & Bloom, M., 1994, GCAEOCHIM. et COSMO. ACTA, 58, 3545-3560.
WO78=WOLERY, 1978, DATA FROM DEQPAK5 DATA SET.
WO82=FROM DATA FILE SET DEQPAK10, OF WOLERY; CONTAINS SUPPORTING DATA FOR PROGRAMS EQ3 & EQ6 (DEC 88 NOTE\: PLUMLEE FINDS PROBLEMS WITH HF AND AL-F COMPLEXES BEING TOO STABLE IN CREEDE MODEL WATERS.  NEED RE-EVALUATION OF F- COMPLEXES IN GENERAL)
WO90=EQ3/6 database from Bill Borcier, LLNL, 1990. Data for U-bearing aqueous species and minerals, smectite clays.
XI03=Xiong, Yongliang, 2003, Predicted equilibrium constants for solid and aqueous selenium species to 300 C\: Applications to selenium-rich mineral deposits; Ore Geology Reviews 23 (2003) 259\uFFFD276; recomputed by Kyu-Youl Sung for inclusion in Soltherm (Feb 06), with assistance from J. Palandri and M. Reed.
ZH94=Zhang, X., Spry, P., 1994, ECONOMIC GEOLOGY, 89, 1152-1166.
