Reply To: Employ user chemistry in Chemkin

[Chitral.Naik]

User rate routines can be programmed by editing the template subroutines provided in /reaction/chemkinpro.win64/user_routines/cklib_user_routines.f Fortran code.

- You can use CKUPROG to provide reaction rate of progress for reaction for a specific reaction, or CKUPROD to provide rates-of-production of all the species.

- Instructions to recompile and link the API code is given in the Chemkin-Pro API Manual - Section 2.1.

- Once the user code is linked successfully, you will need to add the corresponding keyword USRPROG or USRPROD in the reaction mechanism file. Example of a gas phase mechanism using USRPROD is show here. This mechanism will use the custom rates-of-production in any Chemkin simulation.

ELEMENTS

H   O   C   N

END

SPECIES

CH4  CH3  CH2O CO2  CO   H2   H    O2   O    OH   HO2  H2O2 H2O  C2H2 C2H4 C2H6

NO   HCN  NO2  N2

END

REACTIONS USRPROD

END