ReactionMechanismGenerator / ReactionMechanismGenerator/RMG-database
CH2O2 birad - super fast methane flames?
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- Dominant language
- Python
- Stars
- 127
- Forks
- 160
- Avg merge
- 6d 2h
- Merged PRs (30d)
- 2
Description
Anyone have experience with this molecule ([O]C[O]) 😆. RMG added in to my model through Pdep networks and my methane laminar flame speed for equivalence ratio of 1.2 went from 53 cm/s to 70 cm/s (for reference the experimental flame speed is high 30s)! I used the Klippenstein_Glarborg2016 as a seed mechanism. When I use 'FFCM1(-)', I get the same molecule in my model, but the flame speed does not shoot up.
Contributor guide
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First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start by reproducing the methane laminar flame-speed result with the [O]C[O] species, equivalence ratio 1.2, and the Klippenstein_Glarborg2016 seed mechanism. Compare the result with FFCM1(-) and trace the Pdep-network contribution; done means the discrepancy is explained and any needed database correction is identified.
Written by the indexing model from the issue text.
Assessment
- Domain
- databases
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100