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1.
J Res Natl Inst Stand Technol ; 113(4): 209-20, 2008.
Artigo em Inglês | MEDLINE | ID: mdl-27096122

RESUMO

It has long been understood that availability of thermophysical and thermochemical property data is vital to scientific research and industrial design. For over 65 years, the Thermodynamics Research Center (TRC) has been publishing tables of critically evaluated data covering physical and thermodynamic properties of pure compounds, TRC Tables-Hydrocarbons and TRC Tables-Non-Hydrocarbons. Over their long history, the TRC Tables have always been valued as a reputable source of evaluated thermophysical and thermodynamic data. To facilitate more flexible, convenient, and up-to-date access to the data, here, we present the release of the on-line version of the TRC tables, Web Thermo Tables (WTT). Presently, WTT contains data for 7838 compounds and over 950,000 evaluated data points. The tabulated information includes critical properties, vapor pressures and boiling temperatures, phase transition properties, volumetric properties, heat capacities and derived properties, transport properties, reaction state-change properties, as well as index of refraction, surface tension, and speed of sound. Various search options and data plotting capabilities are provided via the Web interface. WTT are distributed through the NIST Standard Reference Data Program [1].

2.
J Chem Inf Comput Sci ; 43(1): 15-24, 2003.
Artigo em Inglês | MEDLINE | ID: mdl-12546533

RESUMO

Guided data capture software (GDC) is described for mass-scale abstraction from the literature of experimental thermophysical and thermochemical property data for organic chemical systems involving one, two, and three components, chemical reactions, and chemical equilibria. Property values are captured with a strictly hierarchical system based upon rigorous application of the thermodynamic constraints of the Gibbs phase rule with full traceability to source documents. Key features of the program and its adherence to scientific principles are described with particular emphasis on data-quality issues, both in terms of data accuracy and database integrity.

3.
J Chem Inf Comput Sci ; 42(3): 473-80, 2002.
Artigo em Inglês | MEDLINE | ID: mdl-12086504

RESUMO

To a significant degree processes of database development are based upon human activities, which are susceptible to various errors. Propagation of errors in the processing leads to a decrease in the value of original data as well as that of any database products. Data quality is a critical issue that every database producer must handle as an inseparable part of the database management. Within the Thermodynamics Research Center (TRC), a systematic approach to implement database integrity rules was established through the use of modern database technology, statistical methods, and thermodynamic principles. The four major functions of the system--error prevention, database integrity enforcement, scientific data integrity protection, and database traceability--are detailed in this paper.

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