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  3. I have created a lumped a mechanism in Reaction Workbench for output to my CFD solver. Chemkin can preprocess this mechanism without any errors, but my solver is throwing and error because of the presence of a keyword “XKEQ” What is this keyword and how can I remove it? I cannot find any information on it in the Chemkin Inputs manual.

I have created a lumped a mechanism in Reaction Workbench for output to my CFD solver. Chemkin can preprocess this mechanism without any errors, but my solver is throwing and error because of the presence of a keyword “XKEQ” What is this keyword and how can I remove it? I cannot find any information on it in the Chemkin Inputs manual.

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    • August 25, 2023 at 12:16 pm
      FAQFAQ
      Participant

      XKEQ is a proprietary keyword used by the automated mechanism lumping method. We have not published how it is used in the solver, thus mechanisms with this keyword can only be used with ANSYS products: Chemkin, Forte, and Fluent. It is possible to remove that keyword and convert the mechanism for use in a 3rd party software. This conversion utility is available in Chemkin Reaction Workbench – on as needed basis. In order to use the mechanism converter utility, do the following: 1.Close Reaction Workbench and set an environment variable “RW_3RDPARTY_MECH_EXPORT” with a value of 1. 2. Reopen Reaction Workbench and browse to the Utility menu on top to open “Export Chemistry to 3rd-Party” link (this appears as a result of setting the environment variable). Clicking on Export Chemistry to 3rd-Party will ask you for a chemistry set (.cks) that you want to convert. 3. Once the .cks file has been entered, wait till the program processes the chemistry in the background. 4. This utility also converts the Pressure Dependence Through Logarithmic Interpolation (PLOG) reactions, it may ask you for a nominal operating pressure of interest if PLOG reactions are found in the mechanism. 5. After the conversion is complete the utility will produce new mechanism and thermo files with the “_exported_” tag in their names.

      Attachments:
      1. 3rd_party_export.png

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