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ThermoML an XML-based Approach for Storage and Exchange of Experimental and Critically Evaluated Thermophysical and Thermochemical Property Data. 5. Speciation and Complex Equilibria

Published

Author(s)

Michael D. Frenkel, Vladimir Diky, Robert D. Chirico, Robert N. Goldberg, Heiko Heerklotz, John E. Ladbury, David P. Remeta, John H. Dymond, Anthony R. Goodwin, Kenneth N. Marsh, William A. Wakeham, Stephen E. Stein, Paul L. Brown, Erich Koenigsberger, Peter A. Williams

Abstract

ThermoML is an XML-based approach for storage and exchange of experimental and critically evaluated thermophysical and thermochemical property data. Extensions to the ThermoML schema for the representation of speciation and complex equilibria are described. The text of ThermoML (xml) is provided to illustrate application of the new extensions. These are provided as Supporting Information together with the complete updated ThermoML schema.
Citation
Journal of Chemical Information and Modeling

Keywords

thermodynamics, data communications

Citation

Frenkel, M. , Diky, V. , Chirico, R. , Goldberg, R. , Heerklotz, H. , Ladbury, J. , Remeta, D. , Dymond, J. , Goodwin, A. , Marsh, K. , Wakeham, W. , Stein, S. , Brown, P. , Koenigsberger, E. and Williams, P. (2011), ThermoML an XML-based Approach for Storage and Exchange of Experimental and Critically Evaluated Thermophysical and Thermochemical Property Data. 5. Speciation and Complex Equilibria, Journal of Chemical Information and Modeling (Accessed July 14, 2024)

Issues

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Created January 7, 2011, Updated February 19, 2017