ThermoML - An XML-Based Approach for Storage and Exchange of Experimental and Critically Evaluated Thermophysical and Thermochemical Property Data 2. Uncertainties

Published

May 26, 2003

Author(s)

Robert D. Chirico, Michael D. Frenkel, Vladimir Diky, K N. Marsh, R C. Wilhoit

Abstract

ThermoML is an XML-based approach for storage and exhange of experimental and critically evaluated thermophysical and thermochemical property data. Extensions to the ThermoML schema for the expression of uncertainties are described. Basic principles, scope, and description of all new structural elements are discussed. Representation of upper and lower limits for property values is addressed, also. ThermoML covers essentially all experimentally determined thermodynamic and transport property data (more than 120 properties) for pute compounds, multicomponent mixtures, and chemical reactions (including change-of-state and equilibrium). 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 the NIST thermodynamics Research cneter (TRC) at the National Institute of Standards and Technology. The text of several data files illustrating the expression of uncertainties in ThermoML format for pure compounds, mixtures, and chemical reactions are provided as Supporting Information, as wel as the complete updated ThermoML schema text.

Citation

Journal of Chemical and Engineering Data

Volume

48

Pub Type

Journals

Keywords

data exchange, data storage, thermodynamic properties, ThermoML, uncertainties, XML

Citation

Chirico, R. , Frenkel, M. , Diky, V. , Marsh, K. and Wilhoit, R. (2003), ThermoML - An XML-Based Approach for Storage and Exchange of Experimental and Critically Evaluated Thermophysical and Thermochemical Property Data 2. Uncertainties, Journal of Chemical and Engineering Data (Accessed October 16, 2025)