CHEMKED

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  A Program for Chemical Kinetics of Gas Phase Reactions. The CHEMKED program is a set of highly effective, easy-to-use tools for creating and editing thermodynamic and reaction databases, choosing reaction mechanisms and solving problems of complex gas-phase chemistry. The program will be useful for you, if you work in the field of the chemical kinetics and study the atmospheric chemistry, air pollution, combustion chemistry or waste gas treatment.

The thermodynamic and reaction data are imported in the databases from external text files by means of the program tools or are entered manually. The data are checked up and error messages are sent. The program provides the numerical and graphic information on the thermodynamic functions, the reaction thermochemistry and the rate constants. The CHEMKED program incorporates a solver for integration of differential equations of gas phase chemical kinetics. The results are analysed with a postprocessor which output contains numerical and graphic information on concentrations, mole and mass fractions of species, reaction rates and reaction heat production rates.With the CHEMKED program tools the user can quickly create desired reaction mechanism and verify it in numerical solutions. For the reaction mechanism the program forms a CHEMKIN format text file that consists of reaction list and thermodynamics and can be used in other applications.