Employ user chemistry in Chemkin

- July 25, 2017 at 4:49 pm
  
  amillan
  Subscriber
  
  After read Application Programming Interface Manual and ANSYS Chemkin-Pro Input Manual tried I tried to used USRPROD and USRPROG options in my chemistry input files. Unhopefully, Chemkin-Pro did no work with my reaction rate specified in user function files.
  
  I have Chemkin-Pro version 18.1 working on linux. I would like to ask for some example projects of Chemkin-Pro works with User Subroutines for Kinetic Reaction Rate on Gas-Phase Chemistry.
  
  Thank you in advance.
  
  Alejandro
- July 28, 2017 at 5:40 pm
  Chitral.Naik
  Ansys Employee
  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
```