Sources of Thermodynamic Data
Equilibrium constants are needed to create a chemical equilibrium diagram.
They can be obtained from thermodynamic data. The Gibbs free energy change
of a reaction is:
ΔGr° = −RT lnK°
where R is the gas constant;
the temperature, T, is in Kelvins; K° is the equilibrium constant;
and ΔGr° may be calculated from the
individual free energies of formation from the elements,
ΔGf°, for each species
ΔGr° = −RT lnK°
= ∑ νi ΔGf°(i)
where the stoichiometric coefficient, νi, for a species
i is positive for the product of the reaction,
and negative for the reactants. For example:
|
Fe3+ + 2 H2O − 2 H+
Fe(OH)2+ |
|
ΔGr° |
= |
ΔGf°(Fe(OH)2+)
−ΔGf°(Fe3+)
−2ΔGf°(H2O)
+2ΔGf°(H+)
|
Note that by convention ΔGf°(H+)
= zero at all temperatures.
You may get information on sources of thermodynamic data by searching the WWW. Here are some sites:
References that also contain thermodynamic data:
- Wagman, D.D., Evans, W.H., Parker, V.B., Schumm, R.H., Halow, I., Bailey, S.M.,
Churney, K.L., Nuttall, R.L.,
The NBS tables of chemical thermodynamic properties: Selected values for inorganic and
C1 and C2 organic substances in SI units,
J. Phys. Chem. Ref. Data, 11, Suppl. No.2 (1982) 1-392
- Bard, A.J., Parsons, R., Jordan, J. (eds.)
Standard Potentials in Aqueous Solution, IUPAC, Marcel Dekker, New York, 1985
- Chase, M.W., Davies, C.A., Downey, J.R., Frurip, D.J., McDonald, R.A., Syverud, A.N.,
JANAF thermochemical tables, 3rd ed., J. Phys. Chem. Ref. Data, 14, Supl.1 (1985)
- Garvin, D., Parker, V.B., White, H.J., Jr.,
CODATA thermodynamic tables: Selections for some compounds of calcium and related mixtures:
A prototype set of tables, Washington, D.C.: Hemisphere Publ. Co., 1987
- Cox, J.D., Wagman, D.D., Medvedev, V.A.,
CODATA Key Values for Thermodynamics, New York: Hemisphere Publishing Corp., 1989
- Knacke, O., Kubaschewski, O., Hesselmann, K. (eds.),
Thermochemical properties of inorganic substances, 2nd ed., Berlin:
Springer-Verlag, 1991, 2 Vols.
- Barin, I., Thermochemical data of pure substances, 2nd ed.,
Weinheim: VCH Verlagsgesellschaft mbH, 1993, 2 Vols.
- Kubaschewski, O., Alcock, C.B., Spencer, P.J., Materials thermochemistry,
6th ed., Oxford: Pergamon Press, 1993
- Helgeson, H.C., Delany, J.M., Nesbitt, H.W., Bird, D.K.,
Summary and critique of the thermodynamic properties of rock-forming minerals,
Am. J. Sci., 278A (1978) 1-220; Errata: 282 (1982) 1143-1149
- Holland, T.J.B., Powell, R.,
An enlarged and updated internally consistent thermodynamic dataset with
uncertainties and correlations: the system
K2O-Na2O-CaO-MgO-MnO-FeO-Fe2O3-Al2O3-TiO2-SiO2-C-H2O-O2,
J. Metamorphic Geol., 8 (1990) 89-124
- Johnson, J.W., Oelkers, E.H., Helgeson, H.C., SUPCRT92:
a software package for calculating the standard molal thermodynamic properties of
minerals, gases, aqueous species, and reactions from 1 to 5000 bar and 0 to 1000ºC,
Comput. Geosci., 18 (1992) 899-947
- Nordstrom, D.K., Munoz, J.L., Geochemical Thermodynamics, 2nd ed., Boston:
Blackwell Sci. Publ., 1994
- Robie, R.A., Hemingway, B.S., Thermodynamic properties of minerals and related substances
at 298.15 K and 1 bar (105 Pascals)
pressure and at higher temperatures, US Geological Survey Bull. 2131, 1995
- Morss, L.R., Thermodynamic properties, in: The Chemistry of the Actinide Elements
(Katz, J.J., Seaborg, G.T., Morss, L.R., eds), 2nd ed.,
London: Chapman and Hall, 1986, Vol.2, pp.1278-1360
- Grenthe, I., Fuger, J., Konings, R.J.M., Lemire, R.J., Muller, A.B., Nguyen-Trung, C.,
Wanner, H., Chemical thermodynamics of uranium
(Wanner, H., Forest, I., eds.), Amsterdam: Elsevier Science Publishers B.V., 1992
- Silva, R.J., Bidoglio, G., Rand, M.H., Robouch, P.B., Wanner, H., Puigdomenech, I.,
Chemical thermodynamics of americium, Amsterdam: Elsevier Science Publishers, 1995