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ThermoData Engine (TDE) Version 10.1 (Pure Compounds, Binary Mixtures, Ternary Mixtures, and Chemical Reactions): NIST Standard Reference Database 103b

Published

Author(s)

Vladimir Diky, Chris D. Muzny, Alexander Y. Smolyanitsky, Ala Bazyleva, Robert D. Chirico, Joe W. Magee, Yauheni Paulechka, Andrei F. Kazakov, Scott A. Townsend, Eric W. Lemmon, Michael D. Frenkel, Kenneth G. Kroenlein

Abstract

The ThermoData Engine is a software expert system implementing the concept of dynamic data evaluation for thermophysical and thermochemical properties of, primarily, organic compounds. This new release provides a substantially expanded database of experimental property values from the literature, improved evaluation procedures for pure compounds, and implementation of a consistent property prediction scheme for normal alkanes. A major technical change is the transition to the SQLite database technology that replaces obsolete data access components.
Citation
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Keywords

critical evaluation, dynamic data evaluation, thermochemical properties, thermophysical properties

Citation

Diky, V. , Muzny, C. , Smolyanitsky, A. , Bazyleva, A. , Chirico, R. , Magee, J. , Paulechka, Y. , Kazakov, A. , Townsend, S. , Lemmon, E. , Frenkel, M. and Kroenlein, K. (2016), ThermoData Engine (TDE) Version 10.1 (Pure Compounds, Binary Mixtures, Ternary Mixtures, and Chemical Reactions): NIST Standard Reference Database 103b, Other, National Institute of Standards and Technology, Gaithersburg, MD (Accessed September 22, 2021)
Created July 14, 2016, Updated September 26, 2019