From molecular insights and chemical technologies to communications and expert systems: A few short thermodynamic stories

Frenkel, Michael

doi:10.1016/j.jct.2006.07.029

Cited by 7 publications

(1 citation statement)

References 46 publications

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“…NIST ThermoData Engine (TDE) − is the first product fully implementing all major principles of the concept of dynamic data evaluation formulated at NIST/TRC. ,, This concept requires the development of large electronic databases capable of storing essentially all “raw” experimental data known to date with detailed descriptions of relevant metadata and uncertainties. The combination of these databases with expert software designed to generate recommended data based on available raw experimental data and their uncertainties leads to the possibility of producing data compilations automatically “to order” forming a dynamic data infrastructure (Figure ).…”

Section: Critical Componentsmentioning

confidence: 99%

Global Information Systems in Science: Application to the Field of Thermodynamics^,^,

Frenkel

2009

J. Chem. Eng. Data

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Global Information Systems can be defined as information systems designed to collect, process, integrate, evaluate, and communicate the entire "body of knowledge" pertaining to a field and to support any application requiring this knowledge in an "on-demand" mode with definitive information quality assessments. Recent advances in computer hardware technology, development of relational data management systems capable of reliably supporting storage of enormous amounts of information pertaining to specific areas of science, new interoperable means of standardizing data communications based on the Extensible Markup Language (XML) ontologies, new generation software expert systems, and secure online networks have created unprecedented opportunities for defining and implementing a new paradigm of Global Information Systems in Science. Global Information Systems have a profound impact on the scientific discovery process, industrial development, and knowledge communication. Within the last 10 years, one of the first Global Information Systems in Science has been developed for the field of Thermodynamics (ThermoGlobe) at the Thermodynamics Research Center (TRC) of the U.S. National Institute of Standards and Technology (NIST). The components of this system include software tools for mass-scale data capture (Guided Data Capture Software), a comprehensive data storage facility (SOURCE Data Archival System), the NIST/TRC Data Entry Facility, a data communication standard (ThermoML -IUPAC standard for thermodynamic data communications), data "reader" software (ThermoML opener into Microsoft Excel), expert system software (NIST ThermoData Engine), and a Web communication portal (NIST Web-Oracle data dissemination channel). The role and principle structure of all the components are discussed in this article, with emphasis on the profound impact of the ThermoGlobe implementation on various areas of research and engineering including, but not limited to, efficiency of information delivery, journal publication quality, and chemical process design.

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Section: Critical Componentsmentioning

confidence: 99%

Global Information Systems in Science: Application to the Field of Thermodynamics^,^,

Frenkel

2009

J. Chem. Eng. Data

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Thermophysical and thermochemical properties on-demand for chemical process and product design

Frenkel

2011

Computers & Chemical Engineering

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A never-ending search for the truth: Thermodynamics in the uncertain era of the internet

Frenkel

2015

The Journal of Chemical Thermodynamics

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From molecular insights and chemical technologies to communications and expert systems: A few short thermodynamic stories

Cited by 7 publications

References 46 publications

Global Information Systems in Science: Application to the Field of Thermodynamics^,^,

Global Information Systems in Science: Application to the Field of Thermodynamics^,^,

Thermophysical and thermochemical properties on-demand for chemical process and product design

A never-ending search for the truth: Thermodynamics in the uncertain era of the internet

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From molecular insights and chemical technologies to communications and expert systems: A few short thermodynamic stories

Cited by 7 publications

References 46 publications

Global Information Systems in Science: Application to the Field of Thermodynamics,,

Global Information Systems in Science: Application to the Field of Thermodynamics,,

Thermophysical and thermochemical properties on-demand for chemical process and product design

A never-ending search for the truth: Thermodynamics in the uncertain era of the internet

Contact Info

Product

Resources

About

Global Information Systems in Science: Application to the Field of Thermodynamics^,^,

Global Information Systems in Science: Application to the Field of Thermodynamics^,^,