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ThermoData Engine (TDE): software implementation of the dynamic data evaluation concept. 6. Dynamic web-based data
Kenneth Kroenlein1, Chris D Muzny, Vladimir Diky
1Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3328, United States.
Journal of Chemical Information and Modeling
|April 27, 2011
Summary
ThermoData Engine (TDE) now offers a web interface for pure compound property data. This dynamic data evaluation system provides access to critical properties, phase equilibria, and transport properties online.
Area of Science:
- Thermodynamics
- Chemical Engineering
- Computational Chemistry
Background:
- The ThermoData Engine (TDE) is a novel software for dynamic data evaluation.
- Previous work reported the initial concept and implementation of TDE.
Purpose of the Study:
- To develop a World Wide Web-based interface for TDE.
- To provide access to evaluated pure compound properties via the web.
Main Methods:
- Development of a web interface leveraging modern browser technologies.
- Implementation of a caching system for high availability of evaluation results.
- Design of an advanced window-in-window user interface.
Main Results:
- A functional web interface for accessing TDE evaluations of pure compound properties.
- Included properties: critical properties, phase boundary equilibria (vapor pressures, sublimation pressures, crystal-liquid boundary pressures), densities, energetic properties, and transport properties.
- Addressed challenges in bringing TDE to the web, balancing access, speed, and data integrity.
Conclusions:
- The web interface successfully extends TDE's dynamic data evaluation capabilities to a broader audience.
- Future extensions include enhanced web services for broader integration.
- The developed system maintains the core principles of dynamic data evaluation for web accessibility.
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