NIST Chemical Kinetics Database as a Tool for Modeling.
NIST Chemical Kinetics Database as a Tool for Modeling.
(106 K)
Allison, T. C.
A4 - Real Fuels/Paper A20;
Combustion Institute/Western States, Central States and
Eastern States. Fourth (4th) Joint Meeting of the U.S.
Sections. Hosted by The Eastern States Section of the
Combustion Institute and Drexel University. A4 - Real
Fuels/Paper A20. March 20-23, 2005, Philadelphia, PA,
1-6 pp, 2005.
Keywords:
combustion; databases; reaction kinetics; vapor phases;
chemical reactions
Abstract:
One of the most challenging aspects of creating
predictive models is gathering the relevant data. Often
data are hard to find or are in an inconvenient format.
Reliably establishing the scientific pedigree of the
data often presents a significant challenge as well.
Within the chemical kinetics community, the NIST
Chemical Kinetics Database is a major resource used to
gather data on gas-phase chemical reactions. The data
are useful for validating current models and
constructing predictive models where data on elementary
rate constants is needed. The advent of new computer
technologies and standards is substantially impacting
the way scientists work. NIST continues to explore new
ways of delivering information in ways that make this
information easily useable and targeted to users needs.
In this talk an overview of the NIST Chemical Kinetics
Database will be given with particular attention paid to
newly developed and planned functionalities which
address the above concerns. The NIST Chemical Kinetics
Database is an important part of the Real Fuels project
at NIST. The principles and practices described in this
paper are being applied to the development of content
for the Real Fuels project.
Building and Fire Research Laboratory
National Institute of Standards and Technology
Gaithersburg, MD 20899