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pyMARS
===============
Python-based (chemical kinetic) Model Automatic Reduction Software (MARS), which consists of multiple techniques for reducing the size and complexity of detailed chemical kinetic models.
pyMARS currently consists of two stages:
1. Directed relation graph with error propagation and sensitivity analysis (DRGEPSA)
2. Unimportant reaction elimination
Additional reduction stages, including isomer lumping and CSP-based quasi-steady-state (QSS) species reduction, are currently under development and testing.
See the following publications for more detail:
* KE Niemeyer, CJ Sung, and MP Raju. Skeletal mechanism generation for surrogate fuels using directed relation graph with error propagation and sensitivity analysis. *Combust. Flame*, 157(9):1760--1770, 2010. doi:[10.1016/j.combustflflame.2009.12.022](http://dx.doi.org/10.1016/j.combustflflame.2009.12.022)
* KE Niemeyer and CJ Sung. On the importance of graph search algorithms for DRGEP-based mechanism reduction methods. *Combust. Flame*, 158(8):1439--1443, 2011. doi:[10.1016/j.combustflflame.2010.12.010](http://dx.doi.org/10.1016/j.combustflflame.2010.12.010).
* KE Niemeyer and CJ Sung. Mechanism reduction for multicomponent surrogates: A case study using toluene reference fuels. *Combust. Flame*, in press, 2014. doi:[10.1016/j.combustflame.2014.05.001](http://dx.doi.org/10.1016/j.combustflame.2014.05.001)
* TF Lu and CK Law. *Combustion and Flame*, 154:153--163, 2008. doi:[10.1016/j.combustflame.2007.11.013](http://dx.doi.org/10.1016/j.combustflame.2007.11.013)
Usage
-----
To install: '''sudo python setup.py install'''
Called from terminal via '''pyMARS --args'''
example: '''pyMARS --file=gri30.cti --run_drg --conditions=example_input.txt --thresholds=example_thresholds.txt'''
Options
-------
License
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pyMARS is released under the MIT license, see LICENSE for details.
If you use this package as part of a scholarly publication, please cite the following papers in addition to this resource:
* KE Niemeyer, CJ Sung, and MP Raju. Skeletal mechanism generation for surrogate fuels using directed relation graph with error propagation and sensitivity analysis. *Combust. Flame*, 157(9):1760--1770, 2010. doi:[10.1016/j.combustflflame.2009.12.022](http://dx.doi.org/10.1016/j.combustflflame.2009.12.022)
* KE Niemeyer and CJ Sung. On the importance of graph search algorithms for DRGEP-based mechanism reduction methods. *Combust. Flame*, 158(8):1439--1443, 2011. doi:[10.1016/j.combustflflame.2010.12.010](http://dx.doi.org/10.1016/j.combustflflame.2010.12.010).
* KE Niemeyer and CJ Sung. Mechanism reduction for multicomponent surrogates: A case study using toluene reference fuels. *Combust. Flame*, in press, 2014. doi:[10.1016/j.combustflame.2014.05.001](http://dx.doi.org/10.1016/j.combustflame.2014.05.001)
Authors
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Kyle E. Niemeyer, Oregon State University
[Kyle.Niemeyer@oregonstate.edu](mailto:Kyle.Niemeyer@oregonstate.edu)