Extension of ThermoML: The IUPAC Standard for Thermodynamic Data Communications
Prepared by Michael Frenkel, Robert D. Chirico, Vladimir Diky, Paul L. Brown, John H. Dymond, Robert. N. Goldberg, Anthony R. H. Goodwin, Heiko Heerklotz, Erich Königsberger, John E. Ladbury, Kenneth N. Marsh, David P. Remeta, Stephen E. Stein, William A. Wakeham, and Peter A. Williams
ThermoML is an XML-based approach for storage and exchange of experimental, predicted, and critically evaluated thermophysical and thermochemical property data. Extensions to the ThermoML schema for the representation of speciation, complex equilibria, and properties of biomaterials are described. The texts of fourteen data files illustrating the new extensions are provided as Supporting Information together with the complete text of the updated ThermoML schema.
