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]]