ThermoML
Jump to navigation
Jump to search
ThermoML is an XML-based IUPAC standard for thermodynamic property data [1] [2] [3] [4]. ThermoML covers essentially all experimentally determined thermodynamic and transport property data (more than 120 properties) for pure compounds, multicomponent mixtures, and chemical reactions (including change-of-state and equilibrium). Although the focus of ThermoML is properties determined by direct experimental measurement, ThermoML does cover key derived property data such as azeotropic properties, Henry's law constants, virial coefficients (for pure compounds and mixtures), activities and activity coefficients, fugacities and fugacity coefficients, and standard properties derived from high-precision adiabatic heat capacity calorimetry.
References[edit]
- ↑ Michael Frenkel, Robert D. Chirico, Vladimir V. Diky, Qian Dong,Svetlana Frenkel, Paul R. Franchois, Dale L. Embry, Thomas L. Teague, Kenneth N. Marsh, and Randolph C. Wilhoit "ThermoMLAn XML-Based Approach for Storage and Exchange of Experimental and Critically Evaluated Thermophysical and Thermochemical Property Data. 1. Experimental Data", Journal of Chemical & Engineering Data 48 pp. 2-13 (2003)
- ↑ Robert D. Chirico, Michael Frenkel, Vladimir V. Diky, Kenneth N. Marsh, and Randolph C. Wilhoit "ThermoMLAn XML-Based Approach for Storage and Exchange of Experimental and Critically Evaluated Thermophysical and Thermochemical Property Data. 2. Uncertainties", Journal of Chemical & Engineering Data 48 pp. 1344-1359 (2003)
- ↑ Michael Frenkel, Robert D. Chirico, Vladimir V. Diky, Kenneth N. Marsh, John H. Dymond and William A. Wakeham "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", Journal of Chemical & Engineering Data 49 pp. 381-393 (2004)
- ↑ Michael Frenkel, Robert D. Chiroco, Vladimir Diky, Qian Dong, Kenneth N. Marsh, John H. Dymond, William A. Wakeham, Stephen E. Stein, Erich Königsberger, and Anthony R. H. Goodwin "XML-based IUPAC standard for experimental, predicted, and critically evaluated thermodynamic property data storage and capture (ThermoML) (IUPAC Recommendations 2006)", Pure and Applied Chemistry 78 pp. 541-612 (2006)