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Issue with species_list: NoneType' object is not iterable (while generating collision_rate_violator log) #2604

@PoojaNem

Description

@PoojaNem

Hello Everyone,

Problem Description:

I am trying to generate a kinetic model for n-propylcyclohexane oxidation in RMG. However, on running every time RMG throws a type error that says: "'NoneType' object is not iterable."
image

There are a few points to notice here:

  1. Error happens after adding JetSurf2.0 thermo library to the input file (Current simulation utilizes JetSurf2.0_Modified, with thermodynamic data for species C5H5 from AramcoMech2.0).
  2. The issue only pops up at the simulation's end while generating the collision_rate_violators log.
  3. RMG successfully generates Cantera and Chemkin files that can be used for further processing.
  4. Following the error traceback shows that in line 244 of the reaction.py file, the species_list argument (to the function write_kinetic_entry inside function to_chemkin) is an empty list which consequently results in an error while processing line 1890 (for species in species_list:) in chemkin.pyx file.
  5. Based on the definition of the function to_chemkin (provided in the file reaction.py line 234), I also tried setting kinetics to False. But, the error remained the same.
  6. Related to 'NoneType' object is not iterable #2096.

The zip folder containing an input file and database for reproducing a model is attached below.

Installation Information:

  • OS: Windows 11, WSL2, Ubuntu 18.04
  • Installation method: Installation by Source Using Anaconda Environment for Unix-based Systems: Linux and Mac OSX
  • RMG version information:
    • RMG-Py: Latest version
    • RMG-database: Latest database

ZipFolder.zip

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