CHEMKIN is a

proprietary software Proprietary software is software that is deemed within the free and open-source software to be non-free because its creator, publisher, or other rightsholder or rightsholder partner exercises a legal monopoly afforded by modern copyright and int ...

tool for solving complex

chemical kinetics Chemical kinetics, also known as reaction kinetics, is the branch of physical chemistry that is concerned with understanding the rates of chemical reactions. It is to be contrasted with chemical thermodynamics, which deals with the direction in wh ...

problems. It is used worldwide in the

combustion Combustion, or burning, is a high-temperature exothermic redox chemical reaction between a fuel (the reductant) and an oxidant, usually atmospheric oxygen, that produces oxidized, often gaseous products, in a mixture termed as smoke. Combusti ...

chemical A chemical substance is a form of matter having constant chemical composition and characteristic properties. Some references add that chemical substance cannot be separated into its constituent elements by physical separation methods, i.e., wi ...

processing,

microelectronics Microelectronics is a subfield of electronics. As the name suggests, microelectronics relates to the study and manufacture (or microfabrication) of very small electronic designs and components. Usually, but not always, this means micrometre-sc ...

and automotive industries, and also in atmospheric science. It was originally developed at

Sandia National Laboratories Sandia National Laboratories (SNL), also known as Sandia, is one of three research and development laboratories of the United States Department of Energy's National Nuclear Security Administration (NNSA). Headquartered in Kirtland Air Force Ba ...

and is now developed by a US company, Reaction Design. 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. Chemical kinetics simulation software 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 pollutants, such as

NOx In atmospheric chemistry, is shorthand for nitric oxide () and nitrogen dioxide (), the nitrogen oxides that are most relevant for air pollution. These gases contribute to the formation of smog and acid rain, as well as affecting tropos ...

. As these pollutants become more tightly regulated through agreements by agencies such as the

United States Environmental Protection Agency The Environmental Protection Agency (EPA) is an independent executive agency of the United States federal government tasked with environmental protection matters. President Richard Nixon proposed the establishment of EPA on July 9, 1970; it be ...

and the California Air Resource Board (CARB), researchers are making increasing use of

simulation A simulation is the imitation of the operation of a real-world process or system over time. Simulations require the use of Conceptual model, models; the model represents the key characteristics or behaviors of the selected system or proc ...

technology. 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 Computational fluid dynamics (CFD) is a branch of fluid mechanics that uses numerical analysis and data structures to analyze and solve problems that involve fluid flows. Computers are used to perform the calculations required to simulate th ...

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. Reaction Design was acquired by ANSYS in 2014 so Chemkin and related products are now available through ANSYS.Quickie: ANSYS to acquire Reaction Design http://schnitgercorp.com/2013/12/04/quickie-ansys-acquire-reaction-design/

External links

CHEMKIN web page

References

{{Chemistry software Combustion Computational chemistry software

See also

External links

References