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Clapeyron v0.6.11

Diff since v0.6.10

New Features

  • The new minimum supported julia version is v1.10.
  • Support for ForwardDiff v1.0.
  • the following EoS now support parametric parameters:
  • SAFTgammaMie (including structSAFTgammaMie)
  • PCPSAFT (including HeterogcPCPSAFT and HomogcPCPSAFT)
  • CPPCSAFT
  • sPCSAFT (including gcsPCSAFT)
  • pharmaPCSAFT

Given a model with parametric parameters, one can now build another model with a different number type using the function Clapeyron.promote_model(::Type{T},model) where T <: Number.

  • SAFTgammaMie: mixed segment paramters are now stored in the model parameters instead of inside the groups.
  • Faster split_model
  • Faster parameter instantiation, as now the sources and sourcescsv can be optionally nothing,and there is less copying of vectors.
  • New Function: USCT_temperature. USCT_mix was renamed to USCT_pressure (The alias is still available, but it could be removed in future Clapeyron versions.)
  • Estimation Framework: initial support for gradient optimization (using ForwardDiff) with parametric models.

Bug Fixes

  • fixed CPA initialization with custom parameters.
  • fixed CPA default locations.
  • fixed ePCSAFT initialization with custom ideal models.
  • general flash: support for pure supercritical states.
  • fix bugs in noncondensable/nonvolatiles Fugacity solver.

Merged pull requests: - @generated split model (#354) (@longemen3000) - Parametric SAFTgammaMie (#356) (@longemen3000) - Simplify bubble/dew routines (#359) (@longemen3000)

Closed issues: - MissingException (#349) - Discrepancy in Enthalpy Calculations using SRK Equation of State (#350) - Partial molar enthalpy (#355) - bubble_temperature problem (#357) - Gibbs free energy question (#358)

Source: README.md, updated 2025-04-23