Extension of ThermoML: The IUPAC standard for thermodynamic data communications (IUPAC Recommendations 2011)

Frenkel, M., Chirico, R.D., Diky, V., Brown, P.L., Dymond, J.H., Goldberg, R.N., Goodwin, A.R.H., Heerklotz, H., Königsberger, E., Ladbury, J.E., Marsh, K.N., Remeta, D.P., Stein, S.E., Wakeham, W.A. and Williams, P.A. (2011) Extension of ThermoML: The IUPAC standard for thermodynamic data communications (IUPAC Recommendations 2011). Pure and Applied Chemistry, 83 (10). pp. 1937-1969.

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Abstract

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 14 data files illustrating the new extensions are provided as Supplementary Information together with the complete text of the updated ThermoML schema.