pyIDT is a (parallel) Python code used to calculate ignition delay time (IDT) for candidate fuel-surrogate compositions. The space of candidate compositions is first evaluated using a set of linear constraints based on physical properties.
The master branch uses multiprocessing to parallelize and is hence suited for single-node applications. Please refer to the MPI branch for the multiple-node version.
First, setup the YAML file for the particular surrogate. Note that this requires the pyYAML package which can be installed trivially using pip. Sample YAML files are provided in the data directory. Also, some mechanism files have been provided in mech folder [1], [2]. The code, for example, can be run using
mkdir output
python test_idt.py data/violi.yml
Other prerequisites for this code are
- cantera - python
- multiprocessing
- numpy, itertools
Please refer to the LICENSE.pdf in the repository. Note that this code requires PRIOR PERMISSION FROM AUTHORS FOR COMMERCIAL PURPOSES.
- Repo owner or admin : Pavan Bharadwaj
- Other community or team contact : The code was developed at the Flow Physics and Computational Engineering group at Stanford University. Please direct any official queries to Prof. Matthias Ihme
[1] Frassoldati, Alessio, et al. "Kinetic modeling study of ethanol and dimethyl ether addition to premixed low-pressure propene–oxygen–argon flames." Combustion and Flame 158.7 (2011): 1264-1276.
[2] Wallington, T. J., P. Dagaut, and M. J. Kurylo. "UV absorption cross sections and reaction kinetics and mechanisms for peroxy radicals in the gas phase." Chemical reviews 92.4 (1992): 667-710.