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CHEMKIN Overview

   

CHEMKIN™, a software suite used worldwide in the microelectronics, combustion, and chemical processing industries, is one of the most successful and enduring products to come out of Sandia National Laboratories.

CHEMKIN is a set of flexible and powerful tools for incorporating complex chemical kinetics into simulations of reacting flow. Using CHEMKIN, researchers are able to investigate thousands of reaction combinations to develop a comprehensive understanding of a particular process, which might involve multiple chemical species, concentration ranges, and gas temperatures.

Since its origins nearly 30 years ago, CHEMKIN has enabled significant strides in the modeling of complex chemical processes, such as combustion. It has become the standard for anyone involved in chemistry modeling and chemically reacting flow modeling. It has also become an important educational tool in chemical engineering, mechanical engineering and chemistry curricula.

CHEMKIN's Evolution

The initial driver for CHEMKIN was the need for a more efficient way of solving combustion problems involving complex series of chemical kinetics phenomena. In the early 1980s, Sandia distributed its homegrown code to collaborators around the world (it is unlawful to copy and distribute these earlier versions).

Although CHEMKIN is still used extensively in combustion-related modeling work, it is also used in chemical vapor deposition studies for semiconductor research and nuclear reactor safety studies.

Since 1997, CHEMKIN has been licensed to Reaction Design, Inc. The San Diego-based company develops and markets software for simulation of a variety of chemical processes. Reaction Design provides technical support and upgrades to CHEMKIN customers. The company continues to partner with Sandia to enhance the capabilities and usability of the software to allow researchers to handle a much broader range of problems.

Reaction Design and Sandia sponsor biennial workshops for existing and potential users in conjunction with the international combustion community's largest symposium. The workshops provide a forum for exchanging ideas and exploring new directions in the application and advancement of CHEMKIN for combustion and chemical process modeling.

CHEMKIN is a set of flexible and powerful tools for incorporating complex chemical kinetics into simulations of reacting flow. The software is a collection of programs and subroutine libraries, which work together to facilitate the formation, solution, and interpretation of problems involving gas-phase and heterogeneous (gas-surface) chemical kinetics.

 

   
 

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