LBL-11448
A TABULATION OF THERMODYNAMIC DATA FOR CHEMICAL REACTIONS INVOLVING 58 ELEMENTS COMMON TO RADIOACTIVE WASTE PACKAGE SYSTEMS
L. V. Benson and L. S. Teague
Lawrence Berkeley Laboratory University of California Berkeley, CA 94720
Topical Report Number 4, Fiscal Year 1980 for Rockwell Hanford Operations of Rockwell International under Contract MOA-SBB-202849
DfKUUMErl
Ttiii boor MI prepared « an account ot wok wontored by an eeencv at the United Statet Government. Neuter the Unned Stele* Goye em nor any oetncy thereof, nor wiy ol rhtir emoloyeei. me**t any nerrentv. eypren. of inewM. or ewvniei eny leeel Heoility or reeporoAility for the ercutecv. comdeteneM. or ueelulruaB ol pny mtormetlon, HMKA product, or proem ditclaeed. or urn twit' thet ill uee would not mtrklfB privMory onned rietrll. Reference herein to fry toccifiC commercial product, ptoow. or eeryice by indo neme. tredometk. manulacturc, or ottterwiie, doet not riiiimily corollluM or imply yii ondotwnionl. recorrenendetion. or fevorirej by the United Stem Government or eny aeency thereof. T*e vieed end opmioin ol author* cepre**ed herein do not necea> flyelat e or reflect rhoee ot lb* United Stem Government or any eurcy thereof.
This report was prepared with support fron the U. S. Department of Energy under contract W-7405-ENG-48.
SiSTUSUnOH OF T.i.3 CSGiiT.-cIir IS -iii-
TABLE OF CONTENTS
Page
LIST OF TABLES v
INTRODUCTION 1
THERMOCHEMICAL DATA 1
Free Energy Data 2
Equilibrium Constants and Gibbs Standard Free
Energies of Reaction 3
REFERENCES CITED 5
TABLES 9 LIST OF TABLES
Table Title
1 Gibbs Standard Free Energies of Formation of Free Ions, Complexes, and Solids
2 Equilibrium Constants for Speciation and Precipitation Reactions at 298.15°K and 1 Bar
3 Basis Species 1
INTKODUCTION
The rate of release and migration of radionuclides from a nuclear waste
repository to the biosphere is dependent on chemical interactions between
groundwater, the geologic host rock, and the radioactive waste package. For
the purpose of this report, the waste package includes the wasteform, canister,
overpack, and repository backfill.
Successful isolation of nuclear waste from the biosphere requires
predicting the behavior of a waste repository over a period of time of tens of thousands of years or longer. To assess the suitability of a potential repository, a complete, validated method of ascertaining the potential for movement of radionuclides from the repository through the host rock environ ment is needed. Mathematical models based on an understanding of the physical and chemical processes involved are the only tools available by which the repository's behavior can be predicted over the long time spans and path lengths of interest.
Chemical processes of interest include sorption (ion exchange), disso lution, complexation, and precipitation. Previous reports by Benson (1980) and White (1980) have dealt with the former two processes. Thernochemical data for complexation and precipitation calculations are presented in this report.
THERMOCHEMICAL DATA
Thermocheaical data for 58 elements common to the radioactive waste package have been tabulated in two ways. In Table 1 are listed standard free energies of formation (&G*f) of free ions, complexes, and solids. 2
In Table 2 are listed common logarithms of equilibrium constants (log K's)
for speciation and precipitation reactions. Unless noted otherwise, all data
are for 298.15°K and one atmosphere.
The data which were extracted from a variety of primary and secondary
references (Alwan and Williams, 1980; Baes and Mesmer, 1976; Ball et al.,
1980; Cleveland, 1970; Fuger and Oetting, 1976; Haacke and Williams, 1979;
Helgeson et al., 1978; Keller, 1971; Kuck, 1978; Langmuir, 1977; Langmuir,
1978; Lemire and Tremaine, 1980; May et al., 1979; Nriagu and Dell, 1974;
Rai and Seme, 1978; Robie et al., 1978; Sillen and Martell, 1964; Smith
and Martell, 1976; Stoessel, R. K., 1977; Truesdell and Jones, 1974;
Urusov and Khodakovsky, 1967; Wagman et al., 1968; Wolery, 1979; Helgeson,
1978; Plummer et al., 1976; Rai et al., 1980) were not critically reviewed;
however, certain selection procedures were employed.
Free Energy Data
Solids. Most of the free energy data were taken from three compilations:
Helgeson et al., (1978), Robie et al., (1978) and Wagman et al. (1968).
In some cases, the three sources did not agree on the free energy value
assigned to a particular solid phase. In these cases, a selection hierarchy
was employed in which the order of preference was Helgeson et al., (1978),
Robie et al. (1978), Wagman et al. (1978). Free energies for aluminosilicates were taken solely from Helgeson et al. (1978).
Free energy data for aluminum oxides were taken from May et al. (1979).
Free energies for phosphate solids, not available in Robie et al. (1978), were taken from Nriagu and Dell (1974). Molybdate data were taken primarily from 3
Kuck (1978); aolybdate free energies were also taken froa Urusov and
Khodakovsky (1967) if unavailable in Kuck (1978). Uranium data were obtained from Langmuir (1978) and Leaire and Tremaine (1980). Thorium data were taken fron Langmuir (1977) and plutonlum data were taken froa Lemire and Treaaine (1980).
Dissolved Species. The majority of the free energy data for dissolved species (free ions and complexes) were taken from Truesdell and Jones (1974),
Ball et al. (1980), and Smith and Martell (1976). Data not available in these sources were obtained from Robie et al. (1978) and Wagman et al. (1968).
If the latter two sources disagreed on the free energy value for a particular chemical species, the value given in Roble et al. (1978) was used. Data on aluminium species were taken from May et al. (1979). Free energy data on chemical species not available in the references mentioned above were taken froa a variety of literature sources.
Equilibrium Constants and Gibbs Standard Free Energies of Reaction
All chemical reactions were formulated using a fundamental basis species set (Table 3). When free energies of formation were available for all components of a chemical reaction, data of Table 1 were used to calculate the
standard free energy of reaction (AGr°).
Basis species free energies for ten elements (Am, Cm, Gd, La, Nd, Np,
Pa, Pr, SB, Tc) were unavailable. Therefore equilibrium constants for reactions involving these eleaents were obtained by addition of reactions froa a single reference. A
Basis species free energies of seven elements (Eu, Hf, Ru, Sn, Te, Ti,
Zr) were obtained using a known free energy value for a reaction involving a particular basis species together with free energies of formation for each of the other components involved in the reaction (Table 1).
When various literature sources were not in agreement on values of the reaction free energy, a selection hierarchy was employed. The order of preference was Ball et al., (1978), Plummer et al. (1976), Truesdell and Jones
(1974), Smith and Martell (1976) and Baes and Mesmer (1976). For reactions involving ion pairs, the order of selection was similar to the forementioned except that the data of Wagman et al. (1968) were given preference over the data of Baes and Mesmer (1976).
As a rule, equilibrium constants measured in media with ionic strengths greater than 0.1 were not Incorporated in Table 2. However equilibrium coefficients for reactions involving Am, Ce, Cm, Np, and Zr are exceptions to this rule (see Ral and Serne; 1978). 5
REFERENCES CITED
1. Alwan, A. K., and Williams, P. A., 1980. The aqueous chemistry of uranium minerals. Part 2. Minerals of the liebigite group, Min. Mag., 43, 665-667. 2. Baes, Charles F., Jr., and Mesmer, Robert E., 1976. The Hydrolysis of Cations, John Wiley and Sons, N.Y., 489 pp.
3. Ball, James W., Nordstrom, D. Kirk, and Jenne, Everett, A., 1980. Additional and revised thermocheaical data and computer code for WATEQ2 - a computerized chemical model for trace and major element speclation and mineral equilibria of natural waters, U.S. Geol. Survey Water Resources Invest., WRI 78-116.
4. Cleveland, J. M., 1970. The chemistry of plutonium, Gordon and Breach Science Publisher, New York.
5. Fuger, J., and Oetting, F. L., 1976. The chemical thermodynamics of actlnide elements and compounds, Part 2: The actinide aqueous ions, International Atomic Energy Agency, Vienna.
6. Haacke, P. F., and Williams, P. A., 1979. The aqueous chemistry of uranium minerals, Part I: Divalent cation zippiete, Min. Mag., 43, 539-541. 7. Helgeson, Harold C, Delany, Joan M., Nesbitt, H. Wayne, and Bird, Dennis K., 1978. Summary and critique of the thermodynamic properties of rock-forming minerals, Am. Jour. Sci, 278-A, 229 pp.
8. Keller, C, 1971. The chemistry of the transuranium elements. Verlagchemle Gmblt, Weinheim, Bergstr, Germany. 9. Kuck, Peter Hinckley, 1978. The behavior of molybdenum, tungsten, and titanium in the porphyry copper environment, Univ. of Ariz, PhD. thesis.
10. Langmuir, D., 1977. Compilation of thermodynamic data on naturally occurring compounds and aqueous complexes of thorium, unpub. report to the Lawrence Berkeley Lab.
11. Langmuir, D., 1978. Uranium solution-mineral equilibria at low temperature with application to sedimentary ore deposits, Geochem. et Coamochim, Acta, 42, 547-569.
12. Lemire, R. J., and Tremaine, P. R., 1980. Uranium and plutonium equilibria in aqueous solutions to 200*C, J. of Chem and Eng. Data (in press). 6
13. Hay, Howard H., Helake, Philip A., and Jackson, Marlon L., 1979. Gibbsite solubility and thermodynamic properties of hydroxy - aluainua Ions in aqueous solution at 25*C, Geochia. et Cosaochia. Acta, 43, 861-868.
14. Nriagu, J. 0., and Dell, C. I., 1974. Diagenetic formation of iron phosphates in recent lake sediaents, Aa. Kin., 59, 934-946.
15. Ral, Dhanpat, and Serne, R. J., 1978. Solid phases and solution species of different elements in geologic environments, Pacific Northwest Laboratory, Rpt. PNL-2651.
16. Robie, Richard A., Hemingway, Bruce S., and Fisher, Jaaes R., 1978. Theraodynaaic properties of ainerals and related substances at 298.15K and 1 bar (105 pascals) pressure and at higher teaperatures, U.S. Geol. Surv. Bull. 1452, 456 pp.
17. Sillen, Lars Gunnar, and Martell, Arthur E., 1964. Stability constants of aetal-ion complexes, Spec. Pub. 17 The Chemical Society, London, 754 pp.
18. Saith, Robert M., and Martell, Arthur E., 1976. Critical stability constants, vol 4, Inorganic Complexes, Plenum Press, N. Y., 257 pp.
19. Stoessell, R. K., 1977. Geocheaical studies of two magnesium silicates, seplolite and kerolite, Univ. of Cal. PhD. thesis, 122 pp.
20. Truesdell, Alfred H., and Jones, Blair F., 1974. WATEQ, a computer prograa for calculating chemical equilibria of natural waters, Jour. Res. U. S. Geol. Survey, 2, 233-248.
21. Urusov, Ivarova, and Khodakovsky, I. L., 1967. Energetic and therao dynaaic properties of aolybdates and tungstates and some features of their geochemistry, Geokhiaiya, 10, 1050-1063.
22a. Wagaan, D. D., Evans, H. H., Parker, V. B., Halow, I., Bailey, S. M. and Schuaa, R. H., 1968. Selected values of chemical theraodynaaic properties, Natl. Bur. Standards Tech. Note 270-3, 264 pp.
22b. Wagaan, D. D., Evans, W. H., Parker, V. B., Halow, I., Bailey, S. M. and Schuaa, R. H. 1969. Selected values of chealcal theraodynaaic properties, Natl. Bur. Standards Tech. Note 270-4, 141 pp.
22c. Wagaan, D. D., Evans, W. H., Parker, V. B., Halow, I., Bailey, S. M., Schaaa, R. H., and Churney, K. L., 1971. Selected values of chealcal themodynaaic properties, Natl. Bur. Standards Tech. Note 270-5, 49 pp..
22d. Parker, V. 1., Wagaan, D. D., and W. H. Evans, 1971. Selected values of chealcal theramodynamlc properties, Natl. Bur. Standards Tech. Note 270-6, 119 pp. 7
23. Wolery, T. J., 1979. Calculation of chemical equilibrium between aqueous solution and minerals. The EQ3/6 software package, Lawrence Livermore Lab. Pub UCRL-52658, 41 pp.
24. Helgeson, H. C, 1978. SUPCRT: Computer program 7402 at the University of California Berkeley, Data file of Thermodynamic data for 298.15°K and 1 bar.
25. Plunmer, L. Niel, Jones, Blair F., and Truesdell, Alfred H., 1976. WATKQF - A Fortran IV version of WATEQ, a computer program for calculating chemical equilibria of natural waters, USGS Water Resources Investigation 76-13.
26. Rai, Dhanpat, Seme, R. J., and Moore, P. A., 1980. Solubility of pluto- nium compounds and their behavior in soils, Pacific Northwest Lab., Rpt. PNL-SA-7892. TABLES 11 TABLE 1. GIBBS STANDARD FREE ENERGIES OF FORMATION OF FREE IONS, COMPLEXES, AND SOLIDS SILVER
AGf° Mineral or Aqueous Species (kcal/mole) Ref •
Ag(s) 0 16
Ag+ 18.422 16
Ag„S (acanthite) -9.446 24
AgS04" -161.3 22
Ag2S04(s) -147.82 22
AgN03(s) -8.00 22
Ag2C03(s) -104.4 22
Ag3P04(s) -210.0 22
AgBr (bromargyrite) -23.2125 16
AgBr2" -41.2 22
2 AgBr3 " -68.0 22
AgCl (cerargyrite) -26.2474 16
AgCl2" -51.5 22
Agl (jodargyrite) -15.835 16
Agl2" -20.8 22
2 Agl3 " -36.8 22
3 -50.1 22 Agl4 "
AgCljBr3" -111.3 22
3 AgClBr3 " -100.4 22
Ag20(s) -2.68 22
*8202(s) 6.6 22
A*203(s) 29.0 22
AR(OH)2" -62.2 22
-10.6 22
At2S^)3(») -72.7 22 12
SILVKK (coat)
AGf" Mineral or Aqueous Species (kcal/>ole) Kef.
Ag2Se04(s) -79.9 22
Ag2Mo04(s) -178.8 22
AgV03(s) -214.3 22
Ag2HVD4(s) -288.6 22
Ag2HV04-AgOH(s) -358.6 22
Ag2Cr04(s) -153.40 22
ALUMINUM
Al(s) 0 13
Al3+ -117.0 13
Al2(S04)3(s) -740.8824 16
Al2(S04)3-6H20(s) -1104.82 22
A1P04 (berlinite) -382.7 22
AlF3(s) -342.0354 16
A1F2 + -192.0 22
All3(s) -71.9 22
A10H',2 + -166.9 13
+ Al(OH)2 -216.5 13
A1(0H)4" -313.5 13
Al(Ofl), (gibbsite synthetic) -276.0 13
-275.1 13 Al(OH)3 (gibbsite natural)
Al-O- (corunduB),ot) -374,824 7
AIO(OH) (boebaite) -217.250 7
AIO(OH) (diaapore) -218.402 7 13
ALUMIHUM (cont)
AGf° Mineral or Aqueoua Specie* (kcal/«ole) Ref.
Al203(s,Y) -373.4947 16
A10 ~ -196.8 22
Al.SiO. (kyanite) -580.956 7
Al-SiO, (andalusite) -580.587 7
Al.SiO, (sillimanite) -580.091 7
Al2Si205(OH)4 (kaolinite) -905.614 7
Al2Si401()(OH)2 (pyrophyllite) -1255.997 7
BARIUM
Ba(s)
Ba2+ -134.020 16
BaS(s) -109.0 22
BaSO, (barite) -325.563 24
Ba(HC03)2(s) -414.54 22
+ BaN03 -159.35 22
Ba(N03)2(s) -190.387 16
BaCa(CO-). (alstonite) -543.2 22
BaCa(CO-), (barytocalcite) -543.0 22
BaO(s) -124.377 16
Ba(OH)2'8H20(») -667.6 22
BaF2(s) -276.5 22
BaCl2(s) -193.7 22
BaClj-HjOCs) -252.32 22
BaClj-ZHjCKs) -309.86 22 14
BARIUM (cont)
AGf° Mineral or Aqueous Species (kcal/aole) Ref.
BaBr2(s) -176.1 22
BaBr2'2H20(s) -294.1 22
Ba0*Si0,(s) -368.13 22
BaO'2SiO,(s) -576.2 22
2BaO'SiO (s) -519.8 22
2BaO'3Si02(s) -947.2 22
BaSiFgCs) -667.8 22
BaTi03(s) -375.8 22
BaTiO, (s) -509.8 22
BaSrTiO,(s) -518.1 22
BaCrO.(s) -321.53 22
BaMnO.(s) -267.5 22
BaZrO.Cs) -405.0 22
BaSeO.Cs) -231.4 22
BsSeO,(s) -249.7 22
BaMoO,(s) -347.6 21
BROMINE
Br" -24.8540 16
CARBON
CO,2" -126.171 11 15
CALCIUM
&G£° Mineral or Aqueous Species (kcal/aole) Ref.
Ca(s) 0 16 „ 2+ Ca -132.299 16
CaS (oldhamite) -112.297 16
CaS0.'l/2 H,0 (macro a) -343.41 22
CaS0,'l/2 HO (micro 3) -343.18 22
CaCO, (vaterite) -269.0105 16
CaCO,*H„0 (monohydrocalcite) -325.4302 16
CaMg(CO ) (dolomite) -517.980 7
CaMg3(C03), (huntite) -1004.710 24
Ca(N03)2(s) -177.578 16
Ca(N03)2-2H20(s) -293.82 22
Ca(N03)2-3H20(s) -351.8 22
Ca(N03)2-4H20(s) -409.53 22
Ca3(PO.) (whitlockite) -931.0837 16
Ca3(P04)2(s,6) -928.5 22
Ca3(P04)2(s,a) -926.3 22
Ca10(PV6(OH)2° -2859.2 22 CaHPO.(s) -401.83 22
CaHP04'2^0(8) -515.00 22
Ca(H2P04)2-H20(s) -730.98 22
Ca8H2(P04)6-5H20(s) -2931.0 22
CaSe(s) -86.8 22
CaSe03-2^0(8) -341.5 22
CaSe0^-ZBJiia)4*2£ -355.4 22
C«Mo04 (powellite) -344.0 9 16
CALCIUM (cont)
AGf° Mineral or Aqueous Species (kcal/aole) Ref.
CaCl, (hydrophilite) -178.791 22
CaBr2(s) -158.6 22
CaBr2'6H20(s) -514.6 22
Cal2(s) -126.4 22
CaF2 (fluorite) -280.493 24
CaO (lime) -144.366 7
Ca(OH) (portlandite) -214.725 16
CaOH+ -171.7 22
Ca,SiOg(s) -665.4 22
Ca.Si-O- (rankinite) -899.0 22
Ca3Ti20?(s) -896.6 22
CaZrO„(s) -401.8 22
CaFe^U) -337.6353 16
Ca2Fe205(s) -478.3843 16
CaTiO. (perovskite) -376.4952 16
Ca SiO, (lamite) -523.7247 16
Ca.SiO, (Ca-olivine) -525.7610 16
Ca Al SiO (gehlenite) -903.588 7
Ca.Al-Si-O.- (grossular) -1496.967 7
Ca3Fe2Si,0.2 (andradite) -1297.479 7
CaAl,Si207(OH)2-H20 (lawsonite) -1073.628 7
CaMgSiO, (aonticellite) -512.829 7
Ca,Mg(Si04)2 («erwinite) -1037.186 7
Ca.MgSijOj (akermanite) -879.802 7
CaTiSiO. (sphene) -587.9195 16 17
CALCIUM (cont)
AGf°
Mineral or Aqueoua Species (kc«l/»ole) Ref.
Ca2A1.3Si3012(OH) (clinozoisite) -1549-680
Ca2Al3Si3012(OH) (zoisite) -1549.619
Ca2FeAl2Si3012(OH) (epidote) -1451.346
CaSiO, (wollastonite) -369.445
CaSiO, (pseudowollastonite) -369.2531 16
CaAl SiO, (Ca-Al pyroxene) -742.287
CaMgSi206 (diopside) -724.000
CaFeSi 0, (hedenbergite) -639.218
Ca2Mg5Si8022(OH)2 (tremolite) -2770.685
CaAl2Si208 (anorthite) -954.298
CaAl2Si4012-2H20 (wairakite) -1477.652
CaAl2Si4012'4H20 (launontite) -1597.043
Ca2Al(AlSi3O10)(OH)2 (prehnite) -1390.537
CaAl2(Al2Si2C1())(OH)2 (margarite) -1394.370
Ca(U02)2(Si03OH)2 (uranophane) (-1189.0)
Ca2U02(C03)3«10H20 (liebigite) -1488.0
CaMgUO2(CO3)3'12H20 (iwartzite) -1579.0
Ca(U02)2(V04)2(tyuya»unite) (-1090.0)
CADMIUM
Cd2+ -18.5421 16
CdS (greenokite) -34.8064 16
CdS04(s) -196.65 22
CdSOl( 4-HjO(») -255.46 22
CdS04«8/3 HjOCa) -350.224 22 18
CADMIUM (cont)
AGf° Mineral or Aqueous Specie* (kcal/aole) Kef
Cd3(OH)4S04(s) -429.6 22
Cd3(OH)2(S04)2(s) -515.8 22
CdCO. (otavite) -160.000 16
Cd3(P04)2(s) -587.1 22
CdSe03(s) -119.0 22
CdSe04(s) -127.1 22
CdSb(s) -3.11 22
CdCl2(s) -82.21 22 CdCl -H 0(s) 2 2 -140.310 22 CdCl -5/2 H 0(s) 2 2 -225.644 22
Cd(OH)Cl(g) -101.8 22
+ CdBr -46.35 22 CdBr " 3 -97.4 22 CdBr (s) 2 -70.82 22 CdBr -4H 0(s) 2 2 -298.287 22
+ Cdl -33.8 22 Cdl " 3 -62.0 22
Cdl.2" -75.5 22 4 -48.13 22
Cdl2(s) -54.6140 16 CdO (nonteponite) -68.0 22 2 Cd02 " -86.9 22
HCd02~
Cd(OH)3" -143.6 22
2 Cd(OH>4 ~ -181.3 22
CdSi03(») -264.20 22 19
CERIUM
AGf° Mineral or Aqueom Specie* (teal/sole) Kef. 3+ Ce -160.612 16 4+ Ce -120.411 16
CeO, (cerianite) -245.072 16
Ce20_ (s, hexagonal a) -408.2075 16
CHLORINE
CI -31.3743 16
CHROMIUM 2- CrO •173.96 22
Cr203(») •251.6864 16
2 Cr207 " 311.0 22
HCrO " 182.8 22
CrF3(») 260.0 22
CrCl2(a) -85.1 22
CrCl3<«) 116.2 22
CESIUM
Cs -67.7880 16
Cs(t) 0 16 20
COFTO
ACf° Mineral or Aqueous Specie* (kcal/aole) Ref.
Cu+ 11.9503 16
Cu2+ 15.6597 16
CuS (covellite) -12.612 24
Cu.S (chalcocite) -20.7620 16
CuFeS. (chalcopyrite) -44.900 7
Cu.FeS. (bornite) -86.704 7 5 4 CuSO, (chalcocyanite) -158.296 16
CuS04'H20(s) -219.46 22
CuS04'3H20(s) -334.65 22
CuSO^-SHjO (chalcanthite) -449.3059 16
Cu,(0H).S0. (antlerite) -345.8 22
Cu.SO.(OH)- (brochantite) -434.5005 16 4 4 6
Cu4(OH)fiS04'H20 (langite) -488.6 22
Cu2(0H)2(C03) (malachite) -214.204 24
Cu3(OH)2(C03)2 (arunite) -334.417 24
CuMo04(s) -195.5 21
CuSeO-(s) -83.2 22
Cu2(OH)3(H03)2(s) -152.75 22
Cu3(P04)2(») -490.3 22
CuCl(nantokite) -28.65 22
CuCl* -16.3 22
CuCl (aelanthallite) -42.0 22
CuC^^HjOd) -156.8 22
CuBr(s) -24.1 22
CuBr2*3Cu(OH)2(s) -306.2 22 21
COPPER (coat)
AG/ Mineral or Aqueoua Specie* (kcal/aole) Kef.
Cul(s) -16.6 22
CuO (tenorite) -30.568 24
Cu.O (cuprite) -35.384 24
2 Cu02 " -43.9 22
HCuO ~ -61.8 22
EUROPIUM
Eu3+ -137.20 15
EuO(s) -132.907 16
Eu.O-(s, nonoclinic) -371.6917 16
FLUORINE
-67.1705 16
IRON 2+ Fe -18.8504 16
Fe -1.09943 16
FeS (troilite) -24.2192 16
FeSj (pyrite) -38.293 24
FeS. (aarcasite) -37.8635 16
FeS (pyrrhotitc) -24.084 16
F«7Sg (f-rich pyrrfcotite) 178.9 22 22
mow (coot)
AGf° Mineral or Aqwaous Species (kcal/»ole) Kef.
FeS04(«) -196.2 22
+ FeS04 -184.7 22
Fe(*34)2" -364.4 22
Fe3(P04)2'8H20 (vivianite) -1046.2 14
Fe5(P04)3OH(s) -1510.2 14
FeMo04(s) -233.0 9
FeCO, diderite) -162.390 24
2+ Fe(N03) -29.1 22
FeCl, (lavencite) -72.2208 16
FeCl2+ -34.4 22
+ FeCl2 -66.7 22
FeCl. (molysite) -79.7691 16
FeF2+ -77.1 22
+ FeF2 -150.2 22
FeBr2+ -26.8 22
Fel2+ -16.0 22
Fe>9470 (vustite) -58.5935 16
FeO(s) -60.097 7
Fe203 (hematite) -178.155 7
Fe304 (magnetite) -242.574 7
Fe(OH)2(s) -118.5 14
F<- -108.8 22
FeOH2+ -54.83 22
*e02" -90.3 16
Fe(0«)3" -147.0 22 23
nam (cont)
AGf° Mineral or Aqueou* Specici (kcal/aole) Kef. 2- FeOH -184.0 22 4+ Fe2((»)2 -111.68 22
FeAl-O, (hercynite) -442.3506 16
FeTiO, (ilaenite) -277.0483 16
FeCr 0, (chromite) -321.2 22
FeSi(s) -17.6 22
FeSi, (6-lebeanite) -18.7 22
FeSi. ,, (a-lebeanite) -14.0 22
Fe3Si(s) -22.6 22
FeSiO, (fay»lite) -330.233 7
FeSiO, (ferrosilite) -267.160 7
HYDROGEN
HCO, -140.261 16
H C0 -148.941 2 3 16 HF -71.685 12
HF„ -138.18 22
H20(JI) -56.678 16 2- TOO, 260.34 22
H TO -270.17 2 4 22
H3F04° -273.16 12
H3P04(a) -265.8437 16
H3P04-l/2 H20(«) -296.9 22
HS~ 2.892 16
M0.~ -180.69 22 24
HAFNIUM
AGf° Mineral or Aqueou» Species (kcal/aole) Ref. .4+ Hf -133.700 18
HfO„ -260.1042 16
HfF,(s,»onoclinic) -437.5 22
HfCl.(s) -215.42 4 22
IODINE
-12.408 16
POTASSIUM
K(s) 0 16
-67.5167 16
K SO, (arcanite) -315.4068 16
KAl(S04)2(s) -535.3227 16
K2Mo04(s) -330.1 21
KN03 (niter) -94.2983 16
KC1 (sylvite) -97.735 24
KBr(s) -90.8368 16
K20(s) -77.056 7
K02(a) 57.5014 16
KOH (s) -90.5669 16
KAlSi.O. (R-apar) -895.374 7
KAlSi.O- (aax-aicrocline) -895.374 7
KAlSi.O. (high aanidine) -?93.738 7 POTASSIUM (cont)
AG£° Mineral or Aqueous Species (kcal/mole
KAlSiO. (kalsilite) -481.750 4
KFe3(AlSi301Q)(OH)2 (annite) -1147.156
KMg3(AlSi301())(OH)2 (phlogopite) -1396.187
KAl2(AlSi301Q)(OH)2 (nuscovite) -1336.301
K2(V02)2(V04)2 (carnotite) -1097.0
MAGNESIUM
Mg(s) 0
Mg2+ -108.700
MgS(s) -81.7
MgS04(s) -279.8
MgSO^H^s) -341.5
MgSCy 61^0(8) -629,1
MgS04'7H20 (epsomite) -686.2428
Mg3(P04)2(s) -845.8
MgMo04(s) -309.7
MgC03 (aagneaite) -245.658
MgC03'3H20 (neaquehonite) -412.035
MgCOj-SHjO (landsfordite) -525.7
Mg5(OH)2(C03)4'*H20 (hydroaugneaite) -1401.687
Mg2(OH)2C03-3H20 (artinite) -613.8494
+ MfHC03 (unionised) -250.3
Ht^OB^CCOj^'SH^OC*) -1100.3
NK(M03)2(a) -140.818 26
tOCMSHM (coat)
Mineral or Aqueou« Species (kcal/aole) let
MgOtOj^'ei^OU) -497.3 22
MgCl_(«, chlorcmagnesite) -141.440 16
MgCl2 •HjOCs) -205.98 22
MgCl2 '2H20 (s) -267.24 22
MgCl2'•4H 20 (s) -388.03 22
MgCl2'•6H 20 (s) -505.49 22
MgF2 lCsellaite ) -255.9904 16
MgBr2lIs) -120.4 22
MgBr2' 6H20(s) -491.4 22
Mgl2(!> ) -85.6 22
MgV2Oe . (metavanadate) -487.43 22
Mg V 0 (pyrovanadate) -632.24 22
MgTiOj (geikilite) -354.7732 16
MgTiO, (metatitanate) -354.8 22
MgTi205 (s) -565.7 22
Mg TiO. (orthotitanate) -489.2 22
MgO (periclase) -136.086 7
Mg(OH)2 (brucite) -199.646 7
MgOH+ -149.8 22
MgH2(s) -8.6 22
MgAljO^ (spinel) -517.006 7
MgCr.O. (picrochroaite) -398.9195 16
MgFe.O, (magnesioferrite) -314.7715 16
Mg2Si(s) -18.0 22
MgCu2(«,B) -8.1 22 MAGHESIUM (cont)
AG£" Mineral or Aqueous Species (kcal/aole
MgCd(s) -3.71
MgCd3(s) -4.71
Mg3Cd(s) -5.14
MgNi2(s) -12.9
Mg.SiO, (forsterite) -491.564
Mg2Al3(AlSi5018) (cordierite) -2061.279
Mg„Al,(AlSis0.a)-H-0 (hydrous cordierite) -2121.350 52<"3^ ^"lS' "2 MgSiO, (enstatite) -348.930
Mg7Si8022(OH)2 (anthophyllite) -2715.430
Mg3Si205(OH)4 (chrypotite) -964.871
Mg4gSi34085(OH)62 (antigorite) -15808.020
Mg3Si401()(OH)2 (talc) -1320.188
Mg5Al(AlSi3010)COH)g (7 -clinochlore) -1957.101
Mg5Al(AlSi3O10(OH)8 (14 -clinochlore) -1961.703
Mg4Si6015(OH)2(OH2)2-(OH2)4 (sepiolite) -2211.192
Mg2U02(C03)3-18H20(bayleyite) -1894.0
MANGANESE
Mn(s,ct) 0
Mn(s,Y) 0.34
Mn2+ -54.4933
HnS (alabandite) -52.178
MnSO.(s) -228.806
Mn3(P04)2'8H20(s) -870.9
MnRPO.(s) -332.5 28
MANGANESE (cont)
AGf" Mineral or Aqueous Species (kcal/aole) Ref.
MnMo04(s) -260.6 21
MnCO, (rhodochrosite]i -195.045 24
+ MnHC03 -196.0 22
MnCl2 (scacchite) -105.279 16
MnCl+ -86.7 22
MnCl2'•H 20(s) -166.4 22
MnCl,'•2H 20(s) -225.2 22
MnCl2'•4H 20(s) -340.3 22
MnCl3" -148.2 22
MnO (manganosite) -86.740 24
MnO. (pyrolusite) -111.171 16
Mn 0 (bixbyite) -210.580 16
Mn,0, (haussmanite) -306.5903 3 4 16 MnO," -106.9 4 22 MnO.2~ -119.7 4 22 MnOH+ -96.8 22
Mn(OH)3~ -177.9 22
Mn SiO, (tephroite) -389.5065 16
MnSiO, (rhodonite) -297.1035 16
MOLYBDENUM
MoS. (molybdenite) -71.0858 16
Mo02(s) -127.403 16
Mo03(s) -159.669 16 29
MOLYBDENUM (cont)
AGf° Mineral or Aqueous Species (kcal/nole) Ref. 2- MoO -199.82 9
Mo3Si(s) -23.0 22
H2Mo04(s) -216.4 9
NITROGEN
NO, -26.6491 11
AMMONIUM
NH, -18.9907 16
NH,OH -63.04 22
NH4V03(s) -212.3 22
NH4HS(s) -12.1 22
NH4Al(S04)2(s) -487.2 22
NH4Al(S04)2'12H20(s) -1180.21 22
(NH4)„S04 (mascagnite) -215.506 16
NH,N0. (ammonia niter) -43.9300 16
NH.C1 (salammoniac) -48.7036 16
22 NH4Br(s) -41.9
22 NH4Br3(s) -45.1
22 NH4BrI2(s) -45.3
NH.F(s) -83.36 22 4 -155.6 22 NH4HF2(s)
-26.9 22 NH4l(s) 22 NH4I3(s) -28.6 30
AMMONIUM (cont)
AGf" Mineral or Aqueous Species (kcal/aole) Kef
NH4ICl2(s) -55.5 22
NH.IC1. (s) -59.2 22 4 4 -46.9 22 NH4IBr2(s)
-52.0 22 NH,IBrCl2(s)
(NH,) SiF, (s, hexagonal) -565.38 22
-565.40 22 (NH4)2SiF6 (s, cubic)
-3863.9 22 H6(NH4)3Al5(P04)8-18H20(s) NH.H„P0.(s) -289.33 22 4 2 4 NH.HSe(s) -5.6 22 4
SODIUM
Na 0 16
Na+ -62.5956 16
Na2S04"10H,0 (mirabilite) -871.5440 16
Na2Mo04(s) -323.6 21
NaAlC0,(0H)2 (dawsonite) -426.8619 16
NaN03(s) -87.7517 16
NaCl (halite) -91.807 ' 24
NaCl° -92.740 24
NaF (villiauiuite) -130.573 16
Na.AlF, (cryolite) 751.6527 16
Na20(s) -89.883 7
NaOH(s) -90.7388 16
NaAl(Si03)2 (jadeite) -679.445 7 SODIHM (cont) AGf° Mineral or Agueom Species (kcal/«ole) Re
NaCa2Mg4Al(Al2Si6022)(OH)2 (pargaaite) -2847.168
NaAlSi.Og'H.O (analcime) -738.098
NaAlSi.O, (dehydrated analcime) -674.989
NaAlSi3Og (low albite) -886.308
NaAlSi.Og (high albite) -884.509
NaAlSiO, (nepheline) -472.872
NaAl2(AlSi3O10)(OH)2 (paragonite) -1326.012
Na2CaUO,(CO-),•6H„0 (andersoni te) -1351.0
NICKEL
NI 0 16 .2+ -10.8987 16 Ni -20.6004 16 NiS (millerite) -47.1009 16 Ni„S« (heazlewood) NiSO.(s) -181.6 22 4 -531.6783 16 NiSO,'6H20 (retgersite) -518.1 22 Ni4(OH)6S04 (s) -815.0 22 Ni7(OH)8(S04)3 (s) -146.4 22 NiC03(s) -562.4 22 Ni3(P04)2(s) -61.9097 16 HiCl2(s)
-181.7 22 HiCl2-2H20(«) NiClj^HjOCs) -295.2 22
HiCl2-6H20(«) -409.54 22 32
NICKEL (cont)
AGf° Mineral or Aqueous Specie* (kcal/aole) kef
HiF2(s) -144.4 22
NiF2-4H20(s) -378.0 22
NiO (bunsenite) -50.573 24
NiOH* -54.4 22
NI(OH)2(s) -106.9 22
NiFe.O, (trevorite) -232.5382 16
OXYGEN
0H_ -37.6023 16
LEAD
Pb(s) 0 16
Pb2+ -5.8317 16
PbS(galena) -23.115 24
PbSO.(anglesite) -194.353 24
PbS04'PbO(s) -246.7 22
PbS04'2PbO(s) -294.0 22
PbS04'3PbO(s) •341.2 22
PbMoO. (wulfenite) •227.4 9
PbCO,(cerrus i te) 150.370 24
PbO'PbC03(s) 195.2 22
PbCl2'PbCO- (phosgenite) 227.6 22
+ PbH03 -33.9 22
PbClj(cotunnite) -75.0557 16 33
LEAD (cont)
AG£° Mineral or Aqueous Specie* (kc«l/»ole) Kef.
PbCl3~ -101-9 22
Pb2(OH)3Cl(s) -252.55 22
PbCl* -39.39 22
PbBr2(s) -62.60 22
Pbl3- -47.5 22
Pbl.2" 4 -60.9 22 PbSe (clausthalite) -24.2775 16
PbSe04(s) -120.7 22
2PbCl2'NH4Cl(3) -201.49 22
PbSi03(s) -253.86 22
Pb2Si04(s) -299.4 22
PbO (litharge, red) -45.2204 16
PbO (massicot, yellow) -45.0700 16
PbO„ (plattnerite) -51.4613 16
Pb.O, (minium) 3 4 -143.728 16
PbO-1/3 H20(s) -63.7 22
HPW>2" -80.90 22
Pb(OH)2(s) -108.1 22
Pb(OH)3 -137.6 22 2+ Pb3(OH)4 -212.4 22 4+ Pb4(OH)4 -223.8 22 4+ Pbfi(OH)8 -430.3 22
Pb(Mn04)2-3PbO(s) -393.0 22 34
raosraotus *f° Mineral or Aqueou* Specie* (kc«l/»olc) let.
PO,33 " -243.5*69 16 °4
PALLADIUM
Pd(s) 0 16
Pd2+ 42.2 22
PdS(s) -16 22
PdS2(s) -17.8 22
Pd4S(s) -16.0 22
PdCl2(s) -29.9 22
PdBr3" -48.8 22
PdBr.2" -76.0 22 4 PdBr,2" -80.1 22 b
Pdl2(s) -15.0 22 w -38.0 22 -40.7 22
PLUTONIUM
Pu3+ -138.3 12
Pu4+ -115.1 12
+ Pu(S04) (-321.0) 11
2+ Pu(S04) -300.9 11
Pu(S04)2° -484.9 11
Pu02S04° -363.3 11 35
FLDTOmDM (cone)
AGf° Mi—r»l or Aqu«ou« Sp«cie» (kc«l/«ole) Kef.
Pu02HK>4(«) -458.4 11
Pu02(HP04)2(s) -673.5 11
+ Pu02(H2P04) -456.5 11 Pu(HPO.)2+ -393.2 11
Pu(HP04)2° -668.3 11
2 Pu(HP04)3 " -941.7 11 Pu(HPO.)/ 4 4 -1215.0 11 Pu(H P0 ),2 + 2 4 -411.8 11 2+ PuCO -296.8 11 Pu0 (C0 ) '' 2 3 2 -453.6 11 PuF (s) 3 -354.2 11 PuF.(s) 4 -402.5 11 PuCl3 + -148.0 11 Pu0 Cl 2 -212.0 11 PuF.3 + -193.3 11 PuOjF -256.0 11 Pu0 F ° 2 2 -330.5 11 Pu0 F " 2 3 -404.6 11 Pu0 F 2_ 2 4 -475.9 11 hex-Pu 0,(a) 2 -381.0 11 Pu0 («) 2 -238.5 11 Pu(OH) (s) 3 -277.7 11 Pu(0H) (s) 4 -340.8 11 36
PLPTOWIUH (coat)
AGf° Min«r»l or Aqu«ou« S»ecie» (kc«l/»ol«) le
Pu02(OH) (««orphou«) -252.4
PuO2(0H)2(s) -289.4
Pu(OH)2+ -184.1
Pu(OH)3+ (-171.1)
2+ Pu(OH)2 (-225.3)
+ Pu(OH)3 (-278.0)
Pu(OH)4° (-328.9)
Pu(OH) ~ (-378.1)
+ Pu02 (-203.2)
2+ Pu02 -180.9
+ Pu02(OH) -229.9
2+ (Pu02)2(OH)2 -463.9
+ (Pu02)3(OH)5 -796.6
Pu02OH° -246.7
RADIUM
Ra2+ -134.2 22
R»(s) 0 22
R«S04(s) -326.4 22
R*(M03)2(s) -190.3 22
R«Cl2«2R20(s) -311.4 22 37
KOBIDIUM
AGf° Mineral or Aqucom Speci« (kcal/mole) Kef.
Rb(«) 0 16
Rb+ -69.7216 16
SULFUR
S(s) „2- 20.5067 16 2- SO 177.971 16
ANTIMONY
Sb S (stibnite) -41.4603 16
Sb S 2 -23.8 22 2 4 "
Sb(OH)2F° (undis -173.2 22
SbCl3(«) -77.37 22
SbBr3(s) -57.2 22
SbO+ -42.33 22
Sb02" -81.32 22
sb2o4(.) •190.2 22
Sb205(i) -198.2 22
Sb.O. II (s, cubic) -303.1 22
Sb0 I (i, orthorhcabic) •299.5 22
Sb(OH)3(») •163.8 22
Sb2Te3(s) -13.2 22 38
RUTHENIUM
AGf° Mineral or Aqueous Specie* (kcal/»olc) Ref. 4+ Ru 55.891 15 2+ Ru(OH) -51.0 22
SELENIUM 2- Se 30.83 16 2- SeO, -88.4 22 2- SeO •105.5 22
HSe 10.5 22
H2Se~ 5.3 22
HSeO, -98.36 22
HSeO, 108.1 22
SILICON
SiO„ (a and (3 quartz) -204.646 7
SiO (cristobalite) -204.89r 7
SiO (tridyadte) -204.066 16
SiO, (coesite) -203.541 7
SiO„ (stishovite) -191.880 16
Si02 (glass) -203.288 16
SiO. (chalcedony) -204.276 7
SiO, (amorphous) -202.892 7
SiO ° -199.190 24
H4Si04(s) -318.6 22
\ 39
SILICON (cont)
AGf" Mineral or Aqueous Species (kcal/aole) Ref.
H. SiO. (undiss) -314.7 22 4 4
H3Si04 -299.18 11
2_ H2Si04 -281.31 11
H2Si03(s) -261.1 22
H-SiO ° (undiss) -258.0 22
HSi(OH)6" -414.6 22
H2Si(OH)6° (undi -428.1 22
H2Si205(s) -464.5 22
H6Si207(s) -579.8 22 2- SiF, -525.7 22
TIN „ 2+ Sn -7.137 18
Sn II (s, grey) 0.03 22
SnS (herzenbergite) -25.0234 16 2+ SnSO. -173.1 22 4
SnF+ -80.1 22
SnOHCl'HjOCs) -155.0 22
SnO. (cassiterite) -124.260 16
SnO(OH)+ -113.3 22
Sn(OH), (s, precipitated) -117.5 22 40
SraONTIOM
ACf° Mineral or Aqueom Specie* (kcal/aole) Kef
Sr(«) 0
Sr2+ -133.709 16
SrS(s) -107.2 22
SrSO. (celestite) -320.435 4 24 SrHPO.(s) -403.6 22 4 SrMoO.(s) -345.1 21 4 SrCO, (strontianite) -275.470 24 -186.206 16 Sr(N03)2(s)
Sr(N03)2-4H20(s) -413.65 22
-166.326 SrBr2(s) 16
SrBr2'H20(s) -228.1 16
SrBr2-6H20(s) -519.7 16
SrCl2(s,a) -186.7 22
SrCl2'H20(s) -247.7 22
SrCl2-2H20(s) -306.4 22
SrCl2'6H20(s) -535.67 22
SrO(s) -133.928 16
S.OH"1" -172.4 22
SrSi03(s) -370.4 22
SrSiO.(s) -523.7 22 4 -379.64 22 SrTi03(s) -520.7 22 SrTi04(s)
SrZrO,(s) -402.2 22 41
TELLURIUM
AG£° Mineral or Aqueous Species (kcal/aole) Ref.
Te2" 50.655 24
TeO (s, tellurite) -64.6200 16
+ Te(OH)3 -118.6 22
TeSe(s) 26.0 22
THORIUM
a-Th(s) 10
TIT -168.4 10 3+ ThOH -220.7 10 2+ TMOH)^ -272.3 10
Th(OH), (-322.5) 10
Th(OH), -373.5 10 6+ Th2(OH)2 -441.8 10 8+ Th4(OH)8 -1098.3 10 9+ Th6(OH)15 -1810.6 10
Th02(s) -273.2 10
ThO.(s, thorianite) -279.35 10 3+ ThF -246.70 10 2+ ThF, -322.52 10
ThF, -396.2 10
ThF, -468.2 10
ThF.(3) -478.9 10 4 tt
THORIUM (cont)
AGf° Mineral or Aqueous Species (kcal/aole) Ref.
ThF4-2.5^0(8) (-624.7) 10 3+ ThClJ -201.3 10 2+ ThClj -232.3 10
+ ThCl3 -264.8 10
ThCl.° -295.6 10 4 ThCl,(s) -261.6 4 10 ThSO.2+ -353.8 10 4 -537.6 10
Th(S04)2° -716.6 10 2 Th(S04)3 " -891.8 10 4 Th(S04)4 " -444.9 10 3+ ThH2P04 -720.9 10 2+ Th(H2P04)2
TITANIUM
Ti(s) 0 16
Ti3+ -73.929 17
TiBr3(s) -136.408 16
TiBr4(s) -140.9 22
TiCl3(s) -156.431 16
TiCl2(s) -111.0 22
Til4(s) -88.8 22
TiH2(s) -19.2 22
TiO(s) -122.685 16
TiO, (rutile) -212.583 16 43
TITAHIHM (cont)
W AG£ Mineral or Aqueous Speciea (kc«l/»ole) Kef
TiO„ (anatase) -211.114 16
Ti203(s) -342.7110 16
Ti,05(s,a) -553.8745 16
Ti407(s) -767.9651 16
URANIUM ..3+ -114.9 12 „4+ -126.9 12
i u(so4) -312.4 12
u(so4)2° -496.2 12
uo2so4° -409.7 12
U02C03(s) -373.1 12
uo2co3° -367.6 12
2 uo2(co3)2 " -503.3 12
12 U02(C03)34" -635.5
(U02)3(P04)2(s) -1237.0 12
(U02)2(HP04)2(s) -1008.0 12
U02HP04° -499.5 12
2_ U02(HP04)2 -773.7 12
+ U02(H2P04) -501.9 12
U02(H2P04)2° -775.6 12
-1048.0 12 uo,•2 U(HP04)2'4H20(s) -910.9 12 2+ UHPO, -403.7 12 4* URAHIUM (cont) AGf° Mineral or Aqueoua Species (kcal/aole) Re£. U(HPO.),° -677.6 12 V2° U(HPO.) 2~ -949.8 12 4 3 4 U(HPO.).4 4 " -1221.0 12 UF4(s) -428.3 UF4-5/2 H20(s) -575.6 UC13+ -162.0 UF3+ -206.0 UF 2+ -281.3 UF,+ -354.9 UF4° -428.5 UF ~ -498.1 UF 2" -568.6 UO„F+ -302.1 U02F2° -374.5 U02F3" -445.3 2 U02F4 " -514.1 + U02C1 -261.5 U02(s) -246.61 12 B-U02(0H)2(s) -333.2 12 U03*2H20(s) -390.1 12 Y-U03(s) -273.9 12 a-U3Og(s) -805.4 12 U409(s) -1022.0 12 U(0H)3+ -183.0 12 2+ U(OH)2 -237.0 12 45 PKAHIUM (cont) AGf° Mineral or Aqueoua Spcciea (kcal/aole) Ref. + UCOH), -290.0 12 IKOH)^ -342.0 12 U(OH). -392.0 12 U0„ -231.5 12 2+ UO, -227.7 12 U02(OH) -276.5 12 2+ (U02)2(OH)2 -561.2 12 + (U02)3(OH)5 -945.3 12 (U02)3(OH)7" -1038.0 12 U02(OH)2° -324.8 12 USiO. (coffinite) (-452.0) 11 + U02SiO(OH)3 (-537.0) 11 VANADIUM V(s) 0 16 „3+ -57.8 11 2+ TO -106.7 22 VO„ -140.3 22 VO, -187.3 22 TO, -214.9 22 V -411.0 22 2°7 VO(s) -96.6107 16 V203 (karelianite) -272.2400 16 V204(a) -315.1188 16 46 VAMADIUM (cont) AGf° Mineral or Aqueoua Speciet (kcal/aole) Kef. V205(s) -339.2531 16 V305(s) -434.0 22 V407(s) -591.0 22 2 HV04 " -233.0 22 -244.0 H2V°4 22 + H4V04 -253.67 22 2+ VOH -111.41 11 + V(OH)2 (-163.2) 11 V(OH)3° (-212.9) 11 VOOH+ -155.65 11 VO H0° (undiss) -178.1 22 3+ VO(OH)2 -125.1 22 -178.4 V02H2°2+ 22 -428.4 HV2°73" 22 H3V2°7~ -445.5 22 ^IO^S5" -1935.0 22 H2V10°284" -1940.0 22 VCl2(s) -96.9601 16 VCl3(s) -122.227 16 VOSO,(s) 4 -282.6 22 47 YTTRIUM ACf" Mineral or Aqueout Specie* (kc«l/»ole) Ref. „3+ -165.8 22 Y,03 (a, cubic) -434.1800 16 YH2(s) -27.8 22 YH3(s) -33.2 22 4+ Y2(OH)2 -425.5 22 YF3(s) -393.1 22 YC12 + -198.7 22 YCl »6H 0(s) 3 2 -592.1 22 Y(OH) Cl(s) 2 -297.9 22 Y(OH) Cl(s) 5 -609.3 22 2+ YBr -191.6 22 Y (S0 ) (s) 2 4 3 -866.8 22 Y (S0 ) -8H 0(s) 2 4 3 2 -1332.1 22 YNO. 2+ -192.4 22 Y (C0 ) (3) 2 3 3 -752.4 22 YZn(s) -18.4 22 YZn (s,a) 2 -31.4 22 YZn (s) 3 -35.6 22 YZn.(s) 4 -40.2 22 YZn (s) 5 -46.4 22 YZn (s) u -67.7 22 Y Zn (s) 2 17 -131.3 22 48 ZIHC AGf° Mineral or Aqueous Specie* (kcal/aole) Ref Z„2+ -35.1960 16 ZnO (zincite) -76.5958 16 2_ Zn02 -91.85 22 HZnO " -109.26 22 Zn(OH)2(s,Y) -132.38 22 Zn(OH)2(s,6) -132.31 22 Zn(OH)2(s,£) -132.68 22 Zn(OH)3" -165.95 22 Zn(OH),2 ~ 4 -205.23 22 Zn(OH)Cl° (undiss) -113.0 22 Zn2(OH)3Cl(s) -251.0 22 ZnBr -59.2 22 ZnBr2 -74.60 22 ZnBr2-2H20(s) -191.1 22 ZnBr ~ -107.3 22 Znl+ -43.5 22 Znl2(s) -49.94 22 Znl3" -69.7 22 Znl.2~ -81.3 4 22 ZnS (sphalerite) -47.947 24 ZnS (wurtzite) -44.810 24 ZnSO, (zinkosite) -208.301 4 16 ZnSO.'H-OCs) -270.58 22 ZnSO.'6H,0 (bianchite) -555.5382 22 49 ZIWC (cont) Mineral or Aqueom Species (kcal/aole) Ref ZnSO,*7H20 (goilarite) -612.4885 22 ZnO'ZZnSO.(s) -492.1 22 Zn2(OH)2S04(s) -351.4 22 Zn5(OH)8(H03)2(s) -624.4 22 ZnCO, (snithsonite) -174.850 7 ZnMoO,(s) -243.3 21 4 ZnSe(s) -39.0 22 ZnSe03'H20(s) -189.5 22 Zn.TiO, (Zn-Ti spinel) -366.6432 16 Zn.SiO. (willemite) -363.9904 16 ZnFe204(s) -254.2 22 ZIRCONIUM 4+ Zr -138.39 18 ZrH2(s) -30.8 22 ZrF, (0, ntonoclinic) -432.6 22 ZrCl.(s) -212.7 22 4 ZrSiO, (zircon) -458.6257 16 & 51 TABLE 2. EQUILIBRIUM COHSTARTS FOR SPECIATION AMD PRECIPITATION REACTIORS AT 298.15'K AND 1 BAR SILVER Reaction lot K R«f. Af(») - Ag* + e~ -13.51 2 A(2S(ac«nthite) + 48^0 « 2At* • S04 ~ + 811* + 8c' -*».*7 2 AfRS° • *H20 - Af* • S04 " + 9H* + 8e~ -47.66 3 2 A»(HS)2" + 8H20 - At* + 2»4 " + 18H* + 16e~ -85.68 3 - 2 ARS + 4^0 - AR* • S04 " + 8H* + 8e~ -39.36 18(20°,0.1) 2 2 + ARHS2 " + 8Hj0 - Af* + 2S04 " + 17H + 16e" -76.18 18(20°,0.1) 2 A«S04" - A»* • S04 " -1.28 2 At2S04(.) - 2Ag* • S04 " -4.91 AfHOjU) » At* + IWj" 0.167 AtN03° - Af* + NOj" 0.29 19 2 AtjCOjd) • 2At* + C03 " -11.05 3 At3P04U> - 3At* • P04 " -15.92 AtBr(broMrtyritc) • At + Br~ -12.30 AfBr° - At* + Br" -4.24 AtBr2" - At* • 2Br" -7.27 2 AtBr3 " - At* + 3Br~ -8.70 AtBr^3" - At* • 4Br~ -9.0 3 Afldodargyritc) • AR + I -16.02 AH" - At* • r -6.6 3 Atl2 - At + 21 -10.56 2 «tl3 " - At* + 3I~ -13.20 3 Atl4 " - At* + 4I~ -13.85 Ajr-MjOCl) » Af* + F~ • 41^0 0.55 3 AtF° - At* • F~ -0.36 3 AfCKcerartyrit*) - At ••«- -9.75 AtCl° - At* • Cl" -3.27 3 «t«2~ - At* • 2«~ -5.26 2 AtCl3 " - AR* 3C1~ -5.29 3 ARC1 3" - AR* + 4Cl" 4 -5.51 3 ARCIJIC3" - «R* • 3C1~ • Bar* -7.88 ARCIBCJ3- - «t* + Cl~ •»» " -9.45 ARJIKO • »* « 2*R* * V 12.58 ACjOjfa) • *•* • l«~ « 2AR* * lljO C0.93 52 SILVMt (coat) »««ction Lot K »ef. A»203(«) • 6H* + 4«~ - 2A«* • SMjO 118.9 A|OH° + H - A| + H2O 12.0 3 Ag(OH)2" + 2H* - Ag* • 2H20 24.00 2 Ag2Se(l) + 3H.0 - 2Af* • SlOj " + 6H* + 6e~ -94.63 2 Ag2Se03(t) - 2Ag* + ScOj " -15.50 AgjSeO^U) + 2H* + 2e~ - 2Ag* + SeOj2" • HjO 20.77 2 AgjMo04(») • 2Ag* • Mo04 " -11.6 3 AgTOjU) + H20 - Af* + V04 " + 2H* -54.62 + 3 + AgjHVO^tt) - 2Af • V0t " + H -81.04 + 3 Ag2HV04-AlOH(t) - 3Ag * V04 " + HjO -104.32 2 Ag2Cr04(t) - 2Af* • Cr04 " -11.94 2 Ag2T«(i) - 2Ag* + T« ~ (-71.7) 18 ALUMINUM Aid) - Al3* + 3«" 85.78 3 2 A12(S04)3(.) - 2A1 * + 3S04 " 19.817 3 2 A12(S04)3'6H20(») - ZA1 * + 3S04 " + 6HjO 2.317 J AlSOf - A1 + 90^ -3.02 3 3 2 A1(S04)2" - Al * + 2«>4 " -4.92 3 3 2 AlORSO^d) + H* - Al * • 904 " + HO -3.23 3 A1 (OH) » («) + 10»* - *A13* • 90 2" • IOHJO 4 10 4 4 22.7 3 3 3 AlN^(b«rlinit*) - Al * + FO ~ -22.84 3 »U}(.) -Al * + 3I~ 60.35 3 Air3C«) -Al * • 3F~ -17.25 3 AIF3° - Al ** 3F~ -17.02 20 2 A1F * - Al3** F" -5.740 3 AlFj* - AX ** 2F~ -12.750 20 A1F ~ - •I* • *F~ -19.720 20 A10 ~ • *•* - Al3* • "V 24.601 2 AIO* ** •* - Al3* • V 4.969 AKODj* • M* -Al3' ' • MjO 10.158 • «* 3 Alt«l>4' -Al * • •l^O 22.150 3 Alj03(a cwW • *•* - 2A1 * 21.415 ALOHMOH (coat) taaction Lot K 3 A1203(.,Y) • 6H* - 2A1 * + 3120 22.3*0 3 Al(OR)3(«Tnthctic gibbaitc) + 3H* - i*l * + 36^0 8.089 3 " - Al * + 3B20 8.7*9 3+ Al(OH)3(a»rphoua) + 3H* - Al + 3H.0 10.359 3 A10(0H)(bo«h»ite) + 3H* - Al * + 2H20 9.609 3 A10(0B)(diaipore> • 3H* - Al * + 2H20 8.764 + 3 Al2Si05(andaluaite) + 6H - 2A1 * + SiO,° + 3H20 16.596 AlgSiO.Uilliaanite) • 6H+ - 2A13+ + SiO ° + 3H 0 16.960 3+ 0 Al2Si05(kyanite) + 6H* - 2A1 «• SiOj + 3Hj0 If .326 + 3+ Al2Si205(OH)4(kaolinite) + 6H - 2A1 + 2Si0° + 51U) 7.446 3 Al2Si4O10(0H)2(pyrophyllite) + bH* - 2A1 * + 4SI02° + 4Hj0 1.081 AWJRICIUM A.2* - A-4* • 2." -11.29 A.3* - A.4* • e" -41.0 A>(a) - A«4* + 4e" 80.0 H 4+ A»02* + 4H* + e~ - AM + 2HjO 21.0 2+ + A»0 + 4H + 2e 4 2 - A» * + 2H20 48.0 *W* • H* - A-**+ H20 + e* -35.1 A»(0H> (a) + 3H* - 4 3 A* * + 3H20 • e" -18.6 A*(OR) (a) + *H* • 4 4 Aa * + 4HjO 3.84 4 AaOjOlKa) + 5H* • «' » Am * + 3H20 1.7 A^)2(OB)2(a) + it* * 2." - «•** + 4H20 34.29 Aa02(a) • AH* - «•** + 21^0 -6.23 2+ 4+ - - ABCI* -Am + CI + « -42.2 4 *** - A- * •!-•.- -44.4 4 F2* - A. * + 2»" • «" _47.! 4 _ r3° - A. * • 3*" + « -51.24 Fj(») - A»4* + 3F~ • «" -56.J1 2 4 »»3 * - *» * • «X>3~ • «" -41.26 + 4* 2- — V -*• **>4 *c •-'>•« Aa^JOjj" - A.4* • *•» * »4>l" " *•** • **>4*" • «" -45.03 ,1*-A»4**».3- *"W ••" • »4-^ • 21 • • -63.03 54 natron laactioa t»«K Sa(a) - la2* • 2«" M.Z& 1 2 lal(.) • MjO - I. * • 104 " • n* * U~ -17.3» I*SO.<»ariee) - la2* + SO,2" -».»5 4 4 2 2 i.»4° - i. * • »4 - -2.7 2 2 laC03 2 iaCOj" - la * + C03" -2.78 2+ 2 Ba(HC03)2(a) - la + 2C03 " + 2H* -20.66 + 2+ - Ba«03 « la + W>3 0.97 2 Ba(»03)2(») - Ba * + 2M0" -2.25 2 Ba(M03)2° - Ba * + 2H03" -1.0 2 2 2 BaCa(C03)2(alatonite) - Ba * + Ca * + 2C0 ~ -17.99 2 2 2 BaCa(C03)2(barytocalcite) - Ba * + Ca * + 2t»3 ~ -17.84 BaO(») + 2H* « Ba2* + HO 48.62 2 BaOH* • H* - Ba * + H20 13.39 2+ Ba(OH)2-8H20(s) + 2H* - Ba + IOHJO 24.34 2 BaF2(«) - Ba * + 2F~ -5.97 2 BaCl2(i) - Ba * + 2Cl" 2.25 + 2+ - BaCl - Ba' + CI <0.13) 2 BaCl2"H20(») - Ba * + 2Cl" + H20 0.82 2 BaClj^HjOCa) - B« * + 2Cl" + 2H20 0.19 2 BaBr2(s) - Ba * + 2Br~ 5.59 2 BaBr2-2H20(a) - Ba * + 2Br" + ?H20 2.19 2 BaO-Si02(») + 2H* » Ba * + SiO° + H20 15.95 2 BaO-2Si02(») + 2H* - Ba * + 2Si02° • HjO 9.44 2 2BaO-Si02(i) + 4R* » 2Ba * + SiOj" + 2H20 44.56 2 2BaO-3Si02(s) + 4H* - 2Ba * + 3Si02° + 21^0 23.29 2 BaSiF6 2 3 BaTi03(i) + 6ii* + «" - Bl * + Ti * + 3^0 1.600 2 3 BaTiO^Ca) + 8H* + 3«~ - Ba * + Ti * + 4H20 -55.087 BaSrTiO,<») + 8H* «• e~ - Ba2* + Sr2* + li3* + 4H,0 36.855 •aCrO.(a) = 1«2* * CrO 2" -9.93 laMaO^Ca) + *•* - la2* + Ma2* • *«jO 108.30 2 laZc03(a) + *•* - la * + Zr** + 3*^0 27.45 2 2 laSV>3<») - 1» * • Sa03 " -6.58 55 IMtlOH (coat) Maction ft: K l«f. 2 2 K5«04(s) • 2H* + 2«~ - »» * • f«03 " • «20 21.S5 2 2 1 2 3 H»04(f) - la * • H* + »04 " -W.71 18(20°,0) Ca(.) - Ca2* + 2e" 96.99 2 2 CaS(oldha«ite) + 4H20 - Ca * + S04 " + 8H* + 8e" -21.07 CaSO.(anhjHrite) » Ca2+ + SO,2" 4.62 18 2 2 CaSO^-1/2 H20(«acro a) - Ca * + S04 ~ + 1/2 H20 -3.52 2+ 2 CaS04'l/2 H20(«icro 6) » Ca + S04 " + l7? HjO -3.35 2 2 CaS04-2H20(gypau«) » Ca * + S04 " + 2H20 -4.85 20 2+ 2- CaCO,(ar«gonite) - Ca + CO, -8.22 18 2+ 2 CaC03(calcite) - Ca + CO., " -8.35 18 CaCO.(vaterite) • Ca2* + CO,2" -7.73 CaCO° • Ca2* + CO," -3.15 3 2+ 2- -7.54 CaCO,-H20(»onohydrocalcite) - Ca + C03 + HjO -18.06 2° + 4H* -32.93