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CHEMKED-II

Simulation and Analysis

What chemical kinetics problems can you solve?

The user has access to the CHEMKED solver from CHEMKED-II. The CHEMKED solver is designed for integration of differential equations of gas phase chemical kinetics at constant pressure. The information on thermodynamics and reactions needed for starting the solver are stored in special solver files that are prepared in CHEMKED-I.

What results can you view?

The analysis of results is performed with a postprocessor. The solver output data are entered in the postprocessor subroutine of chemical kinetics to calculate parameters of reacting system. The postprocessor gives the following functions vs. time.
  • Mixture-averaged values: temperature, density, molecular weight, enthalpy and heat capacity.
  • Species: concentration, mole and mass fractions, derivative, steady state time intervals.
  • Reactions: forward, reverse and net rates, contribution to species derivatives.
  • Heat production: reaction heat production rate, contributions of reactions to temperature derivative

Reduced Chemistry

How can you create reduced reaction mechanism?

CHEMKED-II contains a postprocessor program unit for creation of reduced reaction mechanisms. In order to create a reduced reaction mechanism for a particular problem the user must carry out the following steps.
  • Solve the problem with a detailed reaction mechanism, save results in a file.
  • Enter path of the result file in the program unit of reduced reaction kinetics.
  • Specify control parameters and start the program unit.
The reduced reaction mechanism will be created. The mechanism contains species and reactions that are important for description of chemical kinetics of the considered problem.