PyChemkin provides an easy interface for running CHEMKIN automatically using Python scripts. It writes input files to the CHEMKIN client, retrieves output, and also parses data.
Currently PyChemkin has capabilities for running homogeneous batch reactors, plug flow reactors, and jet-stirred reactors. It can calculate ignition delays automatically based on output profiles and also run brute force ignition delay sensitivities.
Write the full path of your chemkin installation folder into the chemkin_path file. i.e.:
/home/reaction/chemkin15131_linuxx8664
You can run any python script in the examples folder to test PyChemkin.
Copyright (c) 2015 by Connie W. Gao (connie.w.gao@gmail.com)
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On any linux system, running PyChemkin simply requires adding the PyChemkin directory to the PYTHONPATH like so:
PYTHONPATH=PyChemkin_directory:$PYTHONPATH
Then one can import the chemkin module inside any standard python script:
import pychemkin.chemkin as chemkin