CHEMKIN
1257929
201935152
2008-03-30T00:39:27Z
Exp3.14
6662482
chemkin studies a complex chemical process, not a complex chemical 'reaction'
'''CHEMKIN''' is a software tool for solving complex chemical [[chemical kinetics|kinetics]] problems. It is used worldwide in the [[microelectronics]], [[automotive]], [[combustion]], and [[chemical]] processing industries. It was originally developed at [[Sandia National Laboratories]] and is now developed at [[Reaction Design]].[http://www.reactiondesign.com]
CHEMKIN solves thousands of reaction combinations to develop a comprehensive understanding of a particular process, which might involve multiple chemical species, concentration ranges, and gas temperatures. The computational capabilities of CHEMKIN allow for a complex chemical process to be studied in detail, including intermediate compounds and trace compounds.
Using CHEMKIN allows for a more time-efficient investigation of a potential new process compared to direct laboratory investigation.
One important driver for the development and use of CHEMKIN is the reduction of polutants such as [[NOx]]. As these polutants become more tightly regulated through agreements by agencies such as the [[United States Environmental Protection Agency]] and the California Air Resource Board (CARB), researchers are making increasing use of [[simulation]] technology such as CHEMKIN.
One limitation of CHEMKIN is that it assumes the reaction vessel has a relatively simple geometry, whereas sometimes this is not the case. For that reason, a related program called KINetics is often used in conjunction with [[Computational Fluid Dynamics]] tools. CFD programs are better able to account for geometric complexity, at the expense of being more limited in their treatment of the underlying chemistry of the reactive process being studied.
== External links ==
* [http://www.reactiondesign.com Reaction Design - Exclusive developer and distributor of CHEMKIN since 1998]
* [http://www.ca.sandia.gov/chemkin/index.html Sandia National Laboratory CHEMKIN Homepage],
* [http://www.epa.gov/ebtpages/airairponitrogenoxidesnox.html United States Environmental Protection Agency on NOx],
* [http://www.arb.ca.gov/homepage.htm California Air Resources Board]
[[Category: Computational chemistry software]]
[[Category: Chemical engineering]]
[[Category: Chemical kinetics]]
[[Category: Combustion]]
[[de:CHEMKIN]]