Unable to run CSP mechanism reduction : Chemkin

walter785walter785 Member
edited September 21 in Fluids

I am unable to run CSP mechanism reduction. After setting up a steady state PSR study to evaluate the temperature at different residence time, I am trying to reduce a mechanism using Reaction workbench. I run the DGREP analysis for mechanism reduction first. After the process has run its course and given me a reduced skeletal mechanism I try to setup reduction using CSP. It keeps giving me the following error:

Error: unable to locate file C:\Users\user\chemkin\PSR_GRI_20200919_123929\RUN_000001\CKSolnCSP.txt.

Please make sure the computational singular perturbation is successful.

Error: failed to generate skeletal mechanism.


I do not understand what am I doing wrong. Isn't CKSolnCSP.txt supposed to be generated by the CSP reduction process itself??

Answers

  • jcooperjcooper Forum Coordinator

    Hi Walter:

    What version of Chemkin are you running? There is a known defect for mechanism reduction that use both max and endpoint for a target. Some of the error messages that occur with this defect is triggered will seem quite spurious. If RUN_000001 failed due to non convergence, the file may not get generated, and the next reduction iteration will fail.

    I would recommend upgrading to the latest Chemkin release and using no more than 2-3 targets, avoiding the max and endpoint selection for the same target. Note that mechanisms that don't contain SMILES information will not run with certain reduction methods like lumping, which require Chemkin to be able to distinguish isomers.

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