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ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 6. Dynamic Web-based Data Dissemination through the NIST Web Thermo Tables

Published

Author(s)

Kenneth G. Kroenlein, Chris D. Muzny, Vladimir Diky, Andrei F. Kazakov, Robert D. Chirico, Joe W. Magee, Ilmutdin M. Abdulagatov, Michael D. Frenkel

Abstract

ThermoData Engine (TDE) is the first full-scale software implementation of the dynamic data evaluation concept, as reported recently in this journal. In the present paper, we describe the development of a World Wide Web-based interface to TDE evaluations of pure compound properties, including critical properties, phase boundary equilibria (vapor pressures, sublimation pressures, and crystal-liquid boundary pressures), densities, energetic properties, and transport properties. This includes development of a system for caching evaluation results to maintain high availability and an advanced window-in-window interface that leverages modern web-browser technologies. Challenges associated with bringing the principle advantages of the TDE technology to the Web are described, as are compromises to maintain general access and speed of interaction while remaining true to the tenets of dynamic data evaluation. Future extensions of the interface and associated web-services are outlined.
Citation
Journal of Chemical Information and Modeling
Volume
51

Keywords

Web interface, thermophysical properties, dynamic data evaluation

Citation

Kroenlein, K. , Muzny, C. , Diky, V. , Kazakov, A. , Chirico, R. , Magee, J. , Abdulagatov, I. and Frenkel, M. (2011), ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 6. Dynamic Web-based Data Dissemination through the NIST Web Thermo Tables, Journal of Chemical Information and Modeling (Accessed June 13, 2024)

Issues

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Created April 26, 2011, Updated February 19, 2017