Add SHGO (simplicial homology global optimization) as an option for minimizing the for gibb's free energy for LLE, which makes it as fast as VLE (so it now takes 1/10 of the time it used to). ~The default is still differential evolution because SHGO may fail to find phase equilibrium (so differential evolution is more robust).~ The new default is SHGO, but if it fails it falls back to differential evolution.
Use splines in multistage LLE when only 1 phase exists (this can happen while attempting to solve a large number of stages).
Updates to documentation.
Fix bug with separations.lle when top-chemical is not passed. It should make the top phase the one with lowest density by default, but it previously did not (we just got lucky that the LLE solver ended up that way). This fixes the behavior of a few single-stage LLE units in BioSTEAM when top_chemical is not passed (multi-stage equilibrium did not have any issues).
Introduce SHGO algorithm as an option in VLE object.
Future work may introduce a VLLE object that uses SHGO/differential evolution to solve for all three phases at a time.
Thanks!
This pull makes the following changes:
top_chemicalis not passed (multi-stage equilibrium did not have any issues).Future work may introduce a VLLE object that uses SHGO/differential evolution to solve for all three phases at a time. Thanks!