Computational Thermodynamics (CT) Server

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Calculations with Thermodynamic Datasets

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Description and procedure to access databases

This is a portal to a series of forms-based calculators for retrieving thermodynamic properties of endmember phases and reactions between phases. You may also calculate the location of univariant reactions in temperature-pressure space. This functionality is supported using server-side PHP scripts that query a MySQL database of property tables; calculations are performed using web services documented elsewhere on at this site. These web services are available for use on your own web pages or in applications that consume web services, like Microsoft™Office.

At the present time only the Berman (1988) database is online. As time and resources permit, additional databases will be activated. We could use some assistance with this effort, and if you are interested in helping, please contact us.

To access a specific calculator choose an internally consistent thermodynamic database from the table below by clicking "Go To" in the Select column (NYI indicates that the service is not yet implemented):

Table of thermodynamic data sets

Select Dataset
Berman R. G., 1988, Internally-consistent thermodynamic data for minerals in the system Na2O-K2O-CaO-MgO-FeO-Fe2O3-Al2O3-SiO2-TiO2-H2O-CO2, Journal of Petrology, v. 29, p. 445-522.
NYI
Robie R. A., Hemingway B. S., 1995, Thermodynamic Properties of Minerals and Related Substances at 298.15 K and 1 Bar (105 Pascals) Pressure and at Higher Temperatures. U. S. Geological Survey Bulletin, No. 2131, 461pp.
NYI
Holland T. J. B., Powell R., 1998, An Internally Consistent Thermodynamic Data Set for Phases of Petrologic Interest. Journal of Metamorphic Geology, v. 16, p. 309-343.
NYI
Chase M. W., Jr., 1998, NIST-JANAF Thermochemical Tables, Fourth edition. Journal of Physical and Chemical Reference Data, Monograph 9, two volumes, 1952pp.
NYI
NBS (NIST) FREED database
NYI
Ghiorso M. S., Sack R. O., 1995, Chemical Mass Transfer in Magmatic Processes IV. A revised and internally consistent thermodynamic model for the interpolation and extrapolation of liquid-solid equilibria in magmatic systems at elevated temperatures and pressures. Contributions to Mineralogy and Petrology, v. 119, p. 197-212.
NYI
Ghiorso M. S., Hirschmann M. M., Reiners P. W., Kress V.C., 2002, The pMELTS: A revision of MELTS for improved calculation of phase relations and major element partitioning related to partial melting of the mantle to 3 GPa. Geochemistry, Geophysics, Geosystems, v. 3(5), 10.1029/2001GC000217.
NYI
Ghiorso M.S., and Kress V.C., 2004, An Equation of State for Silicate Melts. II. Calibration of volumetric properties at 105 Pa, American Journal of Science, 304, 679-751. Ghiorso M.S., 2004, An Equation of State for Silicate Melts. IV. Calibration of a multicomponent mixing model to 35 GPa, American Journal of Science, 304, 811-834.
NYI
Gottschalk,M., 1997, Internally consistent thermodynamic data for minerals in the system SiO2-TiO2-Al2O3-Fe2O3-CaO-MgO-FeO-K2O-Na2O-H2O-CO2. European Journal of Mineralogy, v. 9, p. 175-223.
NYI
Chatterjee N.D., Krüger R., Haller G., Olbricht W., 1998, The Bayesian approach to an internally consistent thermodynamic database: theory, database, and generation of phase diagrams. Contributions to Mineralogy and Petrology, v. 133, p. 149-168.
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