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

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Author(s): Michael 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;
Title: 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: January 07, 2011
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
Pages: pp. 307 - 316
Keywords: thermodynamics; data communications
Research Areas: Thermodynamics
PDF version: PDF Document Click here to retrieve PDF version of paper (614KB)