Skip to content

Chemical reactions with FEniCS#278

Merged
IshaanDesai merged 31 commits intoprecice:developfrom
boris-martin:chemical
Sep 21, 2022
Merged

Chemical reactions with FEniCS#278
IshaanDesai merged 31 commits intoprecice:developfrom
boris-martin:chemical

Conversation

@boris-martin
Copy link
Copy Markdown
Contributor

@boris-martin boris-martin commented Jun 16, 2022

Description of the case

Added a new tutorial for partitioned advection-diffusion-reaction of chemical species in a incompressible fluid.

  • Fluid participant solves the NS equations and sends its velocity to Chemical participant
  • Chemical participants computes diffusion, production and reaction of chemical species (A + B -> C with sources of A, B) as well as advection through the fluid, reading velocity from the Fluid participant.

Coupling is unidirectional, serial explicit.

Due to tight time stepping constraints on the fluid flow and high cost of the non-linear chemical reactions, different time scales are used: the fluid solver is subcycling.

This test case was made for showcasing Linear Cell Interpolation data mapping.

Todo-list

  • Writing README
  • add run.sh and clean.sh scripts
  • add some measurements: the chemical case keeps track of total quantities of A, B and C species over time (through FEniCS built-in support of integrals)
  • General cleaning, formatting, etc
  • Investigate better discretization choices (e.g. more accurate schemes, like mid-point rule for velocities, choose between 2nd order and 1st order elements for chemistry)

@uekerman
Copy link
Copy Markdown
Member

Nice 👍
Alternative names could be channel-chemistry or channel-transport-reaction. It is a channel flow with no-slip walls, right?
This would put the case close to the existing channel-transport.

@boris-martin
Copy link
Copy Markdown
Contributor Author

Yes it's a channel. I imagine channel-transport-reaction is the most appropriate since it describes what is coupled. On the other hand, no reference to chemistry at all doesn't seem right.

@uekerman
Copy link
Copy Markdown
Member

You could say that "chemistry" is already covered by "reaction"? 😁

@boris-martin boris-martin marked this pull request as ready for review July 19, 2022 12:31
@uekerman
Copy link
Copy Markdown
Member

Just saw right now: PR should point to develop, not master.

@boris-martin boris-martin changed the base branch from master to develop July 19, 2022 15:17
@boris-martin boris-martin requested a review from IshaanDesai July 19, 2022 15:42
@precice-bot
Copy link
Copy Markdown
Collaborator

This pull request has been mentioned on preCICE Forum on Discourse. There might be relevant details there:

https://precice.discourse.group/t/iceberg-ahead-and-new-precice-release-v2-5/1133/1

@IshaanDesai IshaanDesai merged commit 700c5e2 into precice:develop Sep 21, 2022
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

4 participants