Skip to content
This repository was archived by the owner on Dec 12, 2023. It is now read-only.

Added a catalytic combustion example#71

Closed
kblondal wants to merge 5 commits into
ReactionMechanismGenerator:masterfrom
kblondal:master
Closed

Added a catalytic combustion example#71
kblondal wants to merge 5 commits into
ReactionMechanismGenerator:masterfrom
kblondal:master

Conversation

@kblondal

@kblondal kblondal commented Jun 6, 2019

Copy link
Copy Markdown

Should take around 3 minutes to run.

Should take around 3 minutes to run

@rwest rwest left a comment

Copy link
Copy Markdown
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

In order to test the linear scaling relationships, we could use binding energies other than platinum.

It might run faster with generate output html off

@kblondal

kblondal commented Jun 6, 2019

Copy link
Copy Markdown
Author

Sounds good. Do you propose binding energies for a specific metal? Otherwise I can look up binding energies on for example Pd(111) and put those instead.

@mliu49

mliu49 commented Jun 6, 2019

Copy link
Copy Markdown
Contributor

Thanks! I agree that you can probably turn generate output html off.

Could you also add the test to travis.yml so it gets run? It can probably go in the same section as the minimal example: https://github.com/ReactionMechanismGenerator/RMG-tests/blob/master/.travis.yml#L33

Once this is ready, we can make a dummy RMG-Py branch to make travis run the new test.

@mliu49

mliu49 commented Jun 12, 2019

Copy link
Copy Markdown
Contributor

Seems like this might be more complicated than expected. The test failed because there isn't a chem_annotated.inp file: https://travis-ci.org/ReactionMechanismGenerator/RMG-tests/jobs/544305349

So we'll have to update RMG-tests to account for that. What are the output files that we should compare for catalyst jobs?

@rwest

rwest commented Jun 12, 2019

Copy link
Copy Markdown
Member

chem_annotated-gas.inp and chem_annotated-surface.inp would be the equivalent. (Or the cantera will merge them into a single .cti file)

@sevyharris

Copy link
Copy Markdown
Contributor

I'm making a new PRto avoid the difficulties of switching the commits over from master to main.

@sevyharris

Copy link
Copy Markdown
Contributor

closing this, since it's been moved here: ReactionMechanismGenerator/RMG-Py#2514

@sevyharris sevyharris closed this Aug 2, 2023
Sign up for free to subscribe to this conversation on GitHub. Already have an account? Sign in.

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

4 participants