CHEMKIN: A General-Purpose, Problem-Independent, Transportable, FORTRAN Chemical Kinetics Code Package.

摘要

The CHEMKIN package is comprised of two major components -- the INTERPRETER and the gas-phase subroutine library. The INTERPRETER is a FORTRAN code which is used to read a symbolic description of an arbitrary, user-specific chemical reaction mechanism. The output of the INTERPRETER is a data file which forms a link to the gas-phase subroutine library. This library is a collection of about 200 modular FORTRAN subroutines which may be called to return thermodynamic properties, chemical production rates, derivatives of thermodynamic properties, derivatives of chemical production rates, or sensitivity parameters. Thermodynamic properties for the chemical species are given in terms of polynomial fits to the specific heats, and are stored on a thermodynamic data base. The data base is in exactly the same format as the one used in the NASA chemical equilibrium code. Therefore, the user may either supply his own data base or use the NASA data base directly. (ERA citation 05:020943)