Niemeyer-Research-Group / pyMARS

Python-based (chemical kinetic) Model Automatic Reduction Software
https://niemeyer-research-group.github.io/pyMARS/
MIT License
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Question about the results of running the gri30 example mechanism in the documentation #87

Open xyt0808 opened 3 weeks ago

xyt0808 commented 3 weeks ago

Hi, I'm a beginner in pymars and followed the example to drgep simplify the gri30 mechanism, but it seems to suggest that the threshold is set too high, is this a normal display and if not can you give help? Thanks. f224f49909a5f10d95502a1cae278d4

xyt0808 commented 3 weeks ago

Are the three cti files obtained above the result of a simplification of the gri30 mechanism?

kyleniemeyer commented 3 weeks ago

Have you checked the other files produced? There are some other intermediate files that might point to issues, such as ignition_output.txt that saves ignition delay times from the starting model. One basic thing to check is whether the initial data generation worked - if not, you might want to delete all the generated files.

And yes, those files are generated during the reduction process.

You should also confirm that your Python environment is suitable for pyMARS, which unfortunately has not been updated in a while and almost certainly will not work properly with newer versions of dependencies; a virtual environment with specific packages described in the build-environment.yaml or setup.py files (and Python 3.6, probably nothing newer).

xyt0808 commented 3 weeks ago

Thanks for your reply, yes, as you mentioned the ignition_output.txt file, its output is only two lines and they are both numbers as shown below. Is there another possibility that the threshold is too high and I need to go and adjust the threshold it is set at to make it a little smaller? e41bb848b6e60ba808a01be1bd74065