Skip to content

Cf merger 4: Flash calculations#1461

Draft
vlipovac wants to merge 158 commits intodevelopfrom
cf_merger_4_flash
Draft

Cf merger 4: Flash calculations#1461
vlipovac wants to merge 158 commits intodevelopfrom
cf_merger_4_flash

Conversation

@vlipovac
Copy link
Contributor

@vlipovac vlipovac commented Jun 29, 2025

Proposed changes

Extending the compositional subpackage to include the compiled, unified flash.
Includes the Peng-Robinson EoS, its Soereide extension, and some numerical methods (also compiled) required for the flash.

To-do's before converting to PR:

  • Include results from last paper as a regression test for the unified flash with Peng-Robinson.
  • Tutorial on using the flash.
  • Find work-around for numba limitation of defining and passing functions around inside jited functions (modularization of solver and initial guess).
  • (optional) Extend flash framework to accept 1-component mixtures (this is highly uncertain as we are dealing with unknown mathematics. In testing phase of some ideas.)

Types of changes

  • Minor change (e.g., dependency bumps, broken links).
  • Bugfix (non-breaking change which fixes an issue).
  • New feature (non-breaking change which adds functionality).
  • Breaking change (fix or feature that would cause existing functionality to not work as expected).
  • Testing (contribution related to testing of existing or new functionality).
  • Documentation (contribution related to adding, improving, or fixing documentation).
  • Maintenance (e.g., improve logic and performance, remove obsolete code).
  • Other:

Checklist

  • The documentation is up-to-date.
  • Static typing is included in the update.
  • This PR does not duplicate existing functionality.
  • The update is covered by the test suite (including tests added in the PR).
  • If new skipped tests have been introduced in this PR, pytest was run with the --run-skipped flag.

vlipovac and others added 30 commits October 15, 2024 12:52
MAINT: add inside predicate

MAINT: efficient membership predicate

wip: left Fig 4 high-P

wip: left Fig 4 high-P

wip: left Fig 4 high-P is ok, but no L2 error check

wip: left Fig 4 mid-P is ok, but no L2 error check

wip: clipping fractions to ensure fraction property

wip: left Fig 4 low-P is ok, but no L2 error check
@vlipovac vlipovac self-assigned this Jun 29, 2025
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.

2 participants