- New Activity model: Hard-constraint Neural Network for Consistent Activity Coefficient Prediction(
HANNA
). requires the loading of the auxiliary packageClapeyronHANNA
. - New ideal model: PPDS correlations (
PPDSIdeal
) - New Function:
reference_chemical_potential
, to calculate the reference chemical potential used in activity coefficient calculations - New Functions:
activity
andaqueous_activity
. both functions use the ability to change reference chemical potentials. - New Functions:
spinodal_pressure
andspinodal_temperature
. - New function:
split_model_binaries
, that returns a list of all binary combinations of an n-component model. - New Saturation Method:
CritExtrapolation
, that calculates saturation volumes and pressures via extrapolation from the critical point. lb_volume
now has a three-arg version:lb_volume(model,T,z)
.p_scale
is now defined in terms ofT_scale
andlb_volume
.- Stability improvements for bubble/dew calculations.
- Speed improvements for single and multicomponent equilibria.
- Association solver is now faster for small association matrices.
- New association mixing rule: Mie-15 (
:mie15
,:dufal
) - Michelsen TP-Flash: in case of valid K values but single phase rachford-rice, the procedure will assume bubble or dew point as a first iteration.
- Joback: new submodule:
JobackGC
that provides all available properties using the joback correlations. - SAFT-VR-Mie: speed improvements for calculation of association strengths.
- Cubics: Better initial point for single component saturation calculations.
split_model
now works forClapeyronParam
,Symbol
,Number
,AbstractString
,Tuple
,Missing
andNothing
. before those could only be splitted if inside anEoSModel
.StructGroupParam
is deprecated,GroupParam
has all the functionality ofStructGroupParam
.
SAFTgammaMie
fixes.SingleFluid
has improved initial points for liquid volume evaluation.- miscelaneous database improvements.
second_virial_coefficient
for cubics was ignoring the translation.- improvements to the initial point of
SingleFluid
.