Published October 30, 2020
| Version v0.3
Software
Open
It's a gas: Oxidative dehydrogenation of propane over boron nitride catalysts
Description
Supplemental archive for the above paper. Pre-submission version.
Changes since v0.2:
- added C-C scission limit mechanism (M5) + fitting of M5-R15
- modified detailed C-C scission mechanism to include CO formation, based on Rh work
- re-calculated relevant cases
Changes since v0.1:
- includes grid-sensitivity test
- modified oxygen adsorption sensitivity analysis
- added C-C scission limit mechanism
- significantly modified presentation of plot_mech.ipynb
- use of different mechanisms in plot_all.ipynb
Files
PeterKraus/BN_gas_phase-v0.3.zip
Files
(4.7 MB)
| Name | Size | Download all |
|---|---|---|
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md5:9033c124a25991c89d6da71007322f6f
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4.7 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/PeterKraus/BN_gas_phase/tree/v0.3 (URL)