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NIST
Standard Reference Database 103a
NIST
ThermoData Engine 103a - Pure Compounds Version 2.1
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
3.2 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 19,000 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
System
Requirements: PC with Microsoft® Windows®
Pentium processor, Windows 2000 or XP, and at least 64 Mb memory (256
recommended).
For
more information please contact:
Standard Reference
Data Program
National Institute of Standards and Technology
100 Bureau Dr. Stop 2300
Gaithersburg, MD 20899-2310
(301) 975-2008 (VOICE) (301) 926-0416 (FAX) Contact
Us
The
scientific contact for the database is:
Dr. Michael Frenkel
Thermodynamics Research Center (TRC)
NIST
Physical and Chemical Properties Division (838)
325 Broadway Mailcode 838.00
Boulder, CO 80305-3328
303-497-3952
michael.frenkel@nist.gov
Key
words: thermodynamics; experimental data; data retrieval;
grouping; normalization; sorting; consistency enforcement; fitting;
prediction; thermophysical; thermochemical; ThermoML;Thermodynamics
Research Center
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