v0.5.11
New Features
- Support for reference states. A reference state is a point in V-T space where H = H₀ and S = S₀. Setting those have uses in Reaction equilibria and when comparing between different models.In particular, Reference states are stored in a
ReferenceState <: ClapeyronParam
in the ideal model parameters. TheBasicIdeal
model is, intentionally, the only ideal model in Clapeyron that does not have this struct and, as a consequence, it is not able to set reference states. - Support for superancillaries via
EoSSuperancillaries.jl
. When the package is loaded, initial saturation points for cubics and PCSAFT are overloaded to use superancillary evaluations instead of the generalx0_sat_pure
function. in the case ofPCSAFT
models, it also speeds up the evaluation ofcrit_pure
. - New EoS: EOS-CG (2021) (
EOS_CG
), a reference model for humid gases and CCS mixtures. - New EoS: Lee-Kesler-Plöcker (
LKP
) - New EoS: Shomate ideal model (
ShomateIdeal
) - database: PCPSAFT,gcPCSAFT and gcPCPSAFT are updated to use the values of Rehner (2023).
- new functions:
helmholtz_free_energy_res
,gibbs_free_energy_res
,internal_energy_res
,enthalpy_res
- database:
ReidIdeal
now uses the poling coefficients by default. - database:
JobackIdeal
has support for more common group fragments used in gcPCSAFT. melting_temperature
,sublimation_temperature
does not allocate anymore. Note that the function can still allocate if the EoS model itself allocates.
bug fixes
Merged PRs
- Bump codecov/codecov-action from 3 to 4 by @dependabot in #251
- support for H/S reference states by @longemen3000 in #254
- support for superancillaries via loading of EoSSuperancillaries.jl by @longemen3000 in #261
- EOS-CG-2021 by @longemen3000 in #263
- PCPSAFT updates by @longemen3000 in #264
Full Changelog: v0.5.10...v0.5.11