Closed longemen3000 closed 1 year ago
Merging #164 (f3778b5) into master (5dd6433) will increase coverage by
0.44%
. The diff coverage is93.28%
.
@@ Coverage Diff @@
## master #164 +/- ##
==========================================
+ Coverage 85.85% 86.30% +0.44%
==========================================
Files 216 219 +3
Lines 14503 14687 +184
==========================================
+ Hits 12451 12675 +224
+ Misses 2052 2012 -40
Impacted Files | Coverage Δ | |
---|---|---|
src/Clapeyron.jl | 100.00% <ø> (ø) |
|
src/methods/initial_guess.jl | 86.30% <ø> (ø) |
|
...ethods/property_solvers/multicomponent/tp_flash.jl | 70.58% <ø> (ø) |
|
...y_solvers/singlecomponent/saturation/AntoineSat.jl | 90.90% <ø> (ø) |
|
...lvers/singlecomponent/saturation/ChemPotDensity.jl | 87.95% <ø> (ø) |
|
...rty_solvers/singlecomponent/saturation/ChemPotV.jl | 90.42% <ø> (ø) |
|
src/models/Activity/COSMOSAC/COSMOSAC02.jl | 100.00% <ø> (ø) |
|
src/models/Activity/COSMOSAC/COSMOSAC10.jl | 100.00% <ø> (ø) |
|
src/models/Activity/COSMOSAC/COSMOSACdsp.jl | 86.48% <ø> (ø) |
|
src/models/Activity/NRTL/NRTL.jl | 100.00% <ø> (ø) |
|
... and 41 more |
... and 3 files with indirect coverage changes
Help us with your feedback. Take ten seconds to tell us how you rate us. Have a feature suggestion? Share it here.
this is ready for review/merge. the gibbs energy optimizer is pending, but rachford rice seems to handle the problem well (the solver was changed from a bracketed Halley to bracketed Chebyshev, see Roots.jl/#359.
On UNIFAC, i did a second take on how to optimize it, this time using thermopack
notes. the code changes made UNIFAC around 10x faster (and this time seem correct (they respect γi(xi = 0) -> 1).
A lot of the changes in other files was on removing kwargs...
that were left from the multiple estimation branches. they cause problems because you could pass a mispelled keyword (uselrocations
) and it will be silently dropped instead of explicitly erroring
this PR enables the use of
tp_flash
with activity models inMichelsenTPFlash
. there is support for non-volatiles/non-condensables and LLE. on VLE, performs the full approach for the calculation for K. (including Poynting Correction Factors).what is missing at the moment is the optimization part, on LLE, i can just take the code for
LLE_point
,but code for VLE is missing.solves #144 as originally intended.
Because of the refactoring required to do this,
RRTPFlash
now supports the same (LLE,VLE,non-volatiles,non-condensables, and activities), because it now uses the same function to calculate those.