CHEMKIN

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The CHEMKIN Collection Software is a collection of programs and subroutine libraries. These programs and subroutines work together to facilitate the formation, solution, and interpretation of problems involving gas-phase and heterogeneous (gas-surface) chemical kinetics. The collection provides a flexible and powerful tool for incorporating complex chemical kinetics into simulations of reacting flow. Examples of areas where CHEMKIN tools have been successfully applied include combustion, catalysis, chemical vapor deposition, and plasma etching.

The CHEMKIN software architecture is a modular approach that separates problem-specific information from problem-independent software. For a reacting flow simulation, the following figure illustrates this approach. The Application in the blue box represents the general model description, independent of which chemical species are included in a specific problem. The general model description typically includes conservation equations for mass, momentum, energy, and species. The upper yellow ovals contain the input data that make the problem specific, i.e. species identity, species properties, reaction paths, and reaction rates. The CHEMKIN software packages provide the interface between this problem-specific information and the problem-independent Application. The Application may itself be broken down into modules that perform different functions such as residual evaluation, matrix manipulation, solution printing, or post-processing. Additional problem-specific information that is non-chemical may also be input directly by the user, such as reactor pressure or inlet flow rate.

The software supports UNIX and Windows 95, 98 and NT platforms.

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