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NIST
Standard Reference Database 103a
NIST
ThermoData Engine Version 2.2 - Pure Compounds
If you are having problems
with the Online Purchase or Fax/Mail Order Link.
Effectively immediately, there will be a minimum $30.00 shipping charge for all international shipments of databases via Fed. Ex. 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 3.8 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 20,000
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
Effectively immediately, there will be a minimum $30.00 shipping charge for all international shipments of databases via Fed. Ex. 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:
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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