Soave-Redlich-Kwong EOS #1423
Soave-Redlich-Kwong EOS #1423
Conversation
Copied from `PengRobinson`/`RedlichKwongMFTP` Also copied over other variable declarations to the header file
Add `SoaveRedlichKwong` to `ThermoFactory` Change coefficients to original SRK values Fix build issues Fix typo in `isothermal_compressibility` and `thermal_expansion_coeff` and remove unused variables
Codecov Report
@@ Coverage Diff @@
## main #1423 +/- ##
==========================================
- Coverage 70.78% 70.30% -0.48%
==========================================
Files 373 375 +2
Lines 53872 54252 +380
Branches 17579 17707 +128
==========================================
+ Hits 38131 38141 +10
- Misses 13339 13709 +370
Partials 2402 2402
... and 4 files with indirect coverage changes 📣 We’re building smart automated test selection to slash your CI/CD build times. Learn more |
Removed `getIsothermalCompressibility` and `getThermalExpansionCoeff` from `PengRobinson_Test` and `RedlichKwongMFTP_Test`. Add finite difference tests to `TestConsistency` as `betaT_eq_minus_dmv_dP_const_T_div_mv` and `alphaV_eq_dmv_dT_const_P_div_mv`.
|
@ischoegl I'm currently working on this, and I had some questions regarding |
Likely @decaluwe or @speth. Thus far, I have more or less steered clear of equations-of-state related work, and don't know enough about the infrastructure. You may also ask @gkogekar as she implemented |
|
What else is needed to move this PR along @corykinney ? |
Hi, sorry for the delayed response @wandadars! I got a bit stuck at the derivation of the Helmholtz energy departure function and chemical potential, so if you are able to contribute to that, that would be great. I just haven't had the time to sit down and work through that part of the derivation. The progress I had implemented so far is summarized in the document I made up until that point https://github.com/corykinney/Soave-Redlich-Kwong/blob/main/SRK.pdf |
|
Do you have a latex file for the document? |
I just uploaded the files to the repository if you want to take a look at them. I'm newer to LaTeX, so if it's a bit disorganized or not using best practices, that's why. I appreciate your help! |
|
Posting a link to a recent UG question here. What is the current status of this PR? |
|
@ischoegl There's still a decent amount of work left to do on this pull request, as I rarely get opportunities to work on it anymore. I could draft a more detailed list of things already done/to do in case someone else wants to use this as a starting point before I come around to working on it again. |
Closes Cantera/enhancements#159
Proposed changes:
SoaveRedlichKwongclassMixtureFugacityTPDerivations at https://github.com/corykinney/Soave-Redlich-Kwong.
To do:
RedlichKwongMFTP/PengRobinsonMixtureFugacityTPChecklist
scons build&scons test) and unit tests address code coverage