Multisite Whittaker and isotherm prediction #54
Merged
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
…o adsorbate class eventually
…nstead of in Whittaker module
pauliacomi
reviewed
Sep 3, 2024
| pressure: float | ||
| pressure, in Pa | ||
| """ | ||
| return CP.CoolProp.PropsSI('Z', 'T', temp, 'P', pressure, self.backend_name) |
There was a problem hiding this comment.
How is this done using the RefProp backend?
pauliacomi
reviewed
Sep 3, 2024
| @@ -1073,3 +1080,9 @@ def spreading_pressure_at( | |||
|
|
|||
| # calculate based on model | |||
| return self.model.spreading_pressure(pressure) | |||
|
|
|||
| def toth_correction_at( | |||
pauliacomi
reviewed
Sep 5, 2024
| R = constants.gas_constant | ||
|
|
||
|
|
||
| def isotherm_to_predicted( |
There was a problem hiding this comment.
This funtion feels like it could be made more generinc. It is currently using the whittaker enthalpy only. If someone has other types of enthalpies of sorption, like from calorimetry, they would be able to make use of this to predict using the clausius clapeyron. Suggestion to make the call to whittaker external to the function
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## develop #54 +/- ##
===========================================
- Coverage 90.18% 88.97% -1.22%
===========================================
Files 73 77 +4
Lines 5306 5612 +306
===========================================
+ Hits 4785 4993 +208
- Misses 521 619 +98 ☔ View full report in Codecov by Sentry. |
|
relevant tests look good |
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Outdated suggestions cannot be applied.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.
As discussed - hope you get a chance to look at it!
Scott