Published November 17, 2017
| Version 0.9
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Supplementary material for assessing impacts of discrepancies in model parameters on autoignition model performance: a case study using butanol
Authors/Creators
- 1. Northeastern University
- 2. Oregon State University
Description
Python scripts and Jupyter notebooks used in the preparation of the manuscript "Assessing impacts of discrepancies in model parameters on autoignition model performance: a case study using butanol".
Side-by-side comparison of detailed kinetic models reveals significant discrepancies in the published rates of many reactions and thermochemistry of many species. We present a first automated assessment of the impact of these varying parameters on observable quantities of interest---in this case, autoignition delay---using literature experimental data.
Notes
This material is based upon work supported by the National Science Foundation under Grant Nos. 1403171, 1605568, and 1535065; the Women and Minorities in Engineering program at Oregon State University; and the Department of Chemical Engineering at Northeastern University.
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big-histogram.pdf
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Additional details
Related works
- Is supplement to
- arXiv:1708.02232 (arXiv)
Funding
- U.S. National Science Foundation
- Identifying and resolving discrepancies in kinetic models of hydrocarbon combustion. 1403171