ThermoML † An XML-Based Approach for Storage and Exchange of Experimental and Critically Evaluated Thermophysical and Thermochemical Property Data. 3. Critically Evaluated Data, Predicted Data, and Equation Representation

• Published in: Journal of chemical and engineering data Vol. 49; no. 3; pp. 381 - 393
• Main Authors: Frenkel, Michael, Chirico, Robert D, Diky, Vladimir V, Marsh, Kenneth N, Dymond, John H, Wakeham, William A
• Format: Journal Article
• Language: English
• Published: Washington, DC American Chemical Society 13-05-2004
• Subjects: Chemical thermodynamics; Chemistry; Exact sciences and technology; General and physical chemistry; General. Nomenclature, chemical documentation, computer chemistry; General. Theory; Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry; Thermochemical properties; Prediction; Data storage; XML language; Review; Electronic data interchange; Thermophysical properties
• ISSN: 0021-9568; 1520-5134
• DOI: 10.1021/je049890e

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 predicted data, critically evaluated data, and data expressed as equations are described. The present role of ThermoML in global data submission and dissemination is discussed with particular emphasis on cooperation between major journals in the field and TRC at NIST. The text of several data files illustrating the new extensions is provided as Supporting Information together with the complete updated ThermoML schema text.