MECHMOD

Download MECHMOD version 1.42 for CHEMKIN-II users
     (Fortran77 source file, 72 kbyte, version of 21st February, 2003)

Download MECHMOD version 3.42 for CHEMKIN-III (version 3.6) users
     (Fortran77 source file, 63 kbyte, version of 21th February, 2003)

Download MECHMOD version 3.41 for CHEMKIN-III (version 3.6) users
     (Win32 executable file, 63 kbyte, version of 16th May, 2002)
     requires CHEMKIN 3.6 licence to run

Macro file to compile MECHMOD v. 3.42 with CHEMKIN-III (v. 3.6)
      (1 kbyte, compiles the MECHMOD 3.42 source file with the
      libraries of the CHEMKIN-III package;
      requires Compaq (Digital) Visual Fortran.

 

MECHMOD:
Software aid to the development of reaction mechanisms

During the development of combustion mechanisms you have to do several dull, mechanical things like converting the rate parameters from one unit to another, calculating the reverse rate parameters knowing the forward parameters and the thermodynamic data, or simply systematically eliminating some species from the mechanisms. To automate these tasks a utility program, called MECHMOD has been written.

MECHMOD requires the usage of either the CHEMKIN-II or the CHEMKIN-III package. Using the CHEMKIN-II terminology, MECHMOD does the opposite to CKINTERP. CKINTERP creates a binary link (called chem.bin) file from a standard CHEMKIN mechanism text file, while MECHMOD restores the mechanism text file from the binary link file. In the CHEMKIN-III package, the mechanism interpreter is called chem.exe and the mechanism storage file is called chem.asc. In both cases, not only the original mechanism text file can be restored, but the mechanism can be modified in the following ways:

*   all reversible reactions are transformed to pairs of irreversible reactions

*   selected species are eliminated from the mechanism

*   the pre-exponential factors and the activation energies are converted to different units

*    the thermodynamic data are printed at the beginning of the mechanism.

*   the room-temperature heat of formation and entropy data are modified in the NASA polynomials.

 

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