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Vol. 30 No. 3
May-June 2008

The Project Place | Information about new, current, and complete IUPAC projects and related initiatives
See also www.iupac.org/projects

Extension of ThermoML—The IUPAC Standard for Thermodynamic Data Communications

This project is an extension of project 2002-055-3-024, XML-Based IUPAC Standard for Experimental and Critically Evaluated Thermodynamic Property Data Storage and Capture, which was successfully completed in 2006. From that project, a new XML-based IUPAC standard (ThermoML) was established for thermodynamic data communications (Pure Appl. Chem., 2006, 78, 541-612). Initially, ThermoML provided support of communications for experimental, critically evaluated, and predicted data for thermodynamic properties of pure and multi-component mixtures of molecular compounds with comprehensive representation of uncertainties (J. Chem. Eng. Data, 2003, 48, 2-13; 2003, 48, 1344-1359; and 2004, 49, 160-174). Prior to the standard release, enhancements for aqueous electrolyte solutions and ionic liquids were included. The current project will broaden the scope of ThermoML to support storage and exchange of thermodynamic property data for speciation and complex equilibria in aqueous and non-aqueous solvents, and thermodynamic properties of biomaterials.

For more information and comments, please contact the Task Group Chair Michael Frenkel <frenkel@boulder.nist.gov>.

www.iupac.org/projects/2007/2007-039-1-024.html


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