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‡

Michael Frenkel,* Robert D. Chirico, and Vladimir V. Diky
Thermodynamics Research Center (TRC), Physical and Chemical Properties Division, National Institute of Standards and Technology (NIST), 325 Broadway, Boulder, Colorado 80305-3328
Kenneth N. Marsh
Department of Chemical and Process Engineering, University of Canterbury, Private Bag 4800, Christchurch, New Zealand
John H. Dymond
Chemistry Department, University of Glasgow, Glasgow G12 8QQ, UK
William A. Wakeham
School of Engineering Sciences, University of Southampton, Highfield, Southampton SO17 1BJ, UK
J. Chem. Eng. Data, 2004, 49 (3), pp 381–393
DOI: 10.1021/je049890e
Publication Date (Web): April 17, 2004
Copyright © 2004 American Chemical Society
†

 “ThermoML” is the reserved namespace for the XML-based IUPAC standard for experimental and critically evaluated thermodynamic property data storage and capture (http://www.iupac.org/namespaces/ThermoML/).

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‡

 This contribution of the National Institute of Standards and Technology is not subject to copyright in the United States.

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*

 To whom correspondence may be addressed. E-mail:  frenkel@ boulder.nist.gov.

Abstract

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.

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History

  • Published In Issue May 13, 2004
  • Received for review March 18, 2004. Accepted March 22, 2004. The authors express their appreciation to IUPAC for providing travel funds.

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