Software Open Access

ypaul21/Clapeyron.jl: v0.3.10

Andrés Riedemann; Pierre Walker; Paul Yew; gustavochm; Luc; Ramesh Putalapattu; ahaslam62; Alex Ames; Sari Sakse Dalum; TJP-Karpowski

New features
  • dew_pressure and dew_temperature can now by calculated with ActivityModels. options available can be passed via the new methods ActivityBubblePressure, ActivityBubblwTemperature, ActivityDewPressure, ActivityDewTemperature. helmholtz-based models also support solving bubble_pressure and dew_pressure using those methods (
  • There is support for γ-ϕ equilibria on bubble_pressure and dew_pressure with activity models, that is:, solving yᵢϕᵢp = γᵢp₀ᵢϕ₀ᵢ𝒫ᵢ
  • New Correlation models: LeeKeslerSat, DIPPR101Sat for saturation pressure and temperature, COSTALD, RackettLiquid,DIPPR105Liquid, for saturated liquid volume.
  • New models: Second Virial models (AbbottVirial,TsonopoulosVirial and EoSVirial2)
  • New model: CompositeModel, used to hold saturation, liquid and vapor correlations. For example, instantiating an Activity Model, that uses Peng-Robinson for a gas model, DIPPR 101 for saturation and COSTALD for liquid volume, with a wilson activity coefficient, can be written as:

      julia> com = CompositeModel(["water","methanol"],liquid = COSTALD,saturation = DIPPR101Sat,gas = PR)
      Composite Model:
      Gas Model: PR{BasicIdeal, PRAlpha, NoTranslation, vdW1fRule}("water", "methanol")
      Liquid Model: COSTALD("water", "methanol")
      Saturation Model: DIPPR101Sat("water", "methanol")
      # Wilson activity model, using the composite model as the pure model
      julia> model = Wilson(["water","methanol"],puremodel = com) 
      Wilson{CompositeModel{PR{BasicIdeal, PRAlpha, NoTranslation, vdW1fRule}, COSTALD, Nothing, DIPPR101Sat, Nothing}} with 2 components:       
      Contains parameters: g, Tc, Pc, ZRA, Mw
  • Improved initial points for bubble_temperature and dew_temperature.
  • MichelsenTPFlash no uses an accelerated successive substitution method.
Bug fixes
  • cross-association weren't counted in some cases.
  • incorrect initialization on FugBubbleTemperature
  • Clapeyron.lnϕ uses the specialized algorithm for volume instead of the general one.
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