Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, NY 14260, USA
* E-mail: swihart@buffalo.edu
The mechanisms listed here show an automatically generated n-Pentane mechanism. The model was tested across a range of temperatures (650 to 1350K) and equivalence ratios (0.5, 1.0, 2.0) at pressures of 1 and 10 atm. Available thermodynamic and kinetic databases were incorporated and tested for their ability to generate consistent kinetic models. Some rate parameters have been modified that are available in our paper entitled as "Automated Generation of a Compact Chemical Kinetic Model for n-Pentane Combustion". The resulting models show reasonable performance in comparison with published experimental data and predictions of the most established prior models for ignition delay times and flame speed calculations of n-Pentane which can be extended to construct reliable models for combustion of larger n-alkanes.
| Mechanisms | Description |
|---|---|
| PN-NL | No libraries |
| PN-ML | Multiple libraries |
| PN-CPL | Using only Curran Pentane Library |
| PN-ML-m | Multiple libraries, modified rate parameters |
| PN-CPL-m | Only Curran Pentane Library, modified rate parameters |
| PN-NL-m | No libraries, modifies rate parameters |
Table S1. List of mechanisms used in the main paper and summary of their different conditions.