improve PC-SAFT flash #2161
Merged
improve PC-SAFT flash #2161
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
ibell
reviewed
Aug 26, 2022
src/DataStructures.cpp
Outdated
| struct scheme_info | ||
| { | ||
| schemes key; | ||
| const char *short_desc; |
There was a problem hiding this comment.
This should be a std::string, avoid C types unless absolutely necessary
ibell
requested changes
Aug 26, 2022
|
I changed it to be a string. Thanks for looking over the changes I made. |
|
Thanks, looks good to me, merging |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Description of the Change
The flash algorithm for the PC-SAFT backend was updated to improve its performance. Additionally, the association term for the PC-SAFT EOS was expanded to also support other association schemes, in addition to the default 2B scheme used in the earlier code.
Benefits
The flash algorithm is, generally, faster and more reliable, although it could still be improved. Also, a wider range of association schemes can be used.
Possible Drawbacks
New bugs might have been introduced.
Verification Process
I ran the Catch tests in CoolProp-Tests.cpp. All the PC-SAFT tests passed. Of all the tests only 285/51440 assertions failed, and it appeared that many of these were because I didn't have Refprop installed. For comparison, when I run the tests on the current master branch 306/51436 fail, and some of those that fail are for PC-SAFT tests. So, this update should help correct some of the errors in the current master branch.