NIST Standard Reference Database 103a

NIST ThermoData Engine Version 2.4 - Pure Compounds

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Effective immediately, there will be a minimum $30.00 shipping charge for all international shipments of databases via UPS International. Customer will be responsible for their own duties, tax, and VAT. Contact 301 975 2008 or data@nist.gov if you have questions.

ThermoData Engine 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. The NIST/TRC SOURCE data archival system, currently containing more than 4.4 million experimental data points, is used in conjunction with ThermoData Engine as a comprehensive storage facility for experimental thermophysical and thermochemical property data. Currently, this database contains property data for more than 21,000 pure compounds.

The scope of the NIST Standard Reference Database 103a is pure compounds only. The ThermoData Engine (TDE) software incorporates all major stages of the concept implementation, including data retrieval, grouping, normalization, sorting, consistency enforcement, fitting, and prediction for all major thermophysical properties (about 50 properties total) including density, vapor pressure, heat capacity, enthalpies of phase transitions, critical properties, melting and boiling points, etc. The ThermoData Engine fills the gaps in experimental data by deployment of automated group-contribution and corresponding-states property predictions, emphasizes enforcement of consistency between related properties (including those obtained from predictions), provides for flexibility in selection of default data models depending on the particular data scenario, incorporates a large variety of models for secondary fitting, and allows saving of critically evaluated data in ThermoML format. TDE supports several equations of state for pure compounds (original and modified volume-translated Peng-Robinson, Sanchez-Lacombe, PC-SAFT, and Span-Wagner) and allows the user to fit parameters to experimental and predicted data. Enthalpies of formation are evaluated on the basis of stored experimental enthalpies of combustion and modified Benson group-contribution method. ThermoML output assures compatibility of the ThermoData Engine with any engineering application equipped with a ThermoML software 'reader'. Periodical Web updates of the local TDE-SOURCE database maintain its up-to-date status, providing new data to users of TDE soon after original publication in the literature.

You may browse the Users' Guide to see how this database works.

Price: $3,790.00

Effective immediately, there will be a minimum $30.00 shipping charge for all international shipments of databases via UPS International. Customer will be responsible for their own duties, tax, and VAT. Contact 301 975 2008 or data@nist.gov if you have questions.

System Requirements: PC with Microsoft® Windows® Pentium processor, Windows 2000 or XP, and at least 64 Mb memory (256 recommended).

If you are having problems with the Online Purchase or Fax/Mail Order Link.

For more information please contact:

The scientific contact for the database is:

Dr. Michael Frenkel
Thermodynamics Research Center (TRC)
NIST Thermophysical Properties Division (638)
325 Broadway Mailcode 638.01
Boulder, CO 80305-3337
303-497-3952 michael.frenkel@nist.gov

Keywords: thermodynamics; experimental data; data retrieval; grouping; normalization; sorting; consistency enforcement; fitting; prediction; thermophysical; thermochemical; ThermoML;Thermodynamics Research Center