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@longemen3000 longemen3000 released this 03 Aug 07:03
· 1027 commits to master since this release
v0.5.0
6daaf22

New Features

  • rework of @newmodel, @newmodelgc and newmodelsingle macros. Now they also define the outer constructor. for a simple EoS that does not require transformation of parameters, you can now do:
@newmodel MyModel EoSModel MyModelParam
#define locations for your model, relative to the current database location
Clapeyron.default_locations(::Type{MyModel}) = ["models/mymodel"]
#define references
Clapeyron.default_references(::Type{MyModel}) = ["TODO"]
  • new macro @newmodelsingleton, that defines "singleton" EoSModels.
  • Rework of MultiParameter EoS. there are two new EoSModels that represent Empiric, Multiparameter EoS:
    • SingleFluid: for single component fluids
    • MultiFluid: for multicomponent fluids, with specific mixing and departure rules
      SingleFluid and MultiFluid constructors are capable of parsing CoolProp JSON single component files. furthermore, you can use the available CoolProp single fluid library by just importing CoolProp into the current working enviroment (using CoolProp).
  • Cubic models that have an alpha dependent of the acentric factor, can be built by passing acentricfactor directly to userlocations, instead of alpha_userlocations (#188)
  • New Function: RGas(model) and Rgas(), that gives the value of the gas constant used by the model. defaults to Clapeyron.R̄ = 8.31446261815324
  • New model: HelmAct, to use multiparameter EoS + activity coefficient models as the departure.
  • New model: XiangDeiters
  • New model: TholLJ (used in LJRef)
  • New model: EmpiricIdeal, the ideal part of a multiparameter model, to be used in conjuction with other EoS
  • New model: AlyLeeIdeal
  • New model: CPLNGEstIdeal (http://dx.doi.org/10.1016/j.jngse.2014.04.011)
  • CSVs allow defining a sep keyword in the inline CSV options:
Clapeyron Database File
my parameters [csvtype = like, sep = ;]
species,Mw
1,3,5,7-CYCLOOCTATETRAENE;156.22368

Breaking changes

  • IAPWS95, PropaneRef, Ammonia2023 are now of type SingleFluid{EmpiricAncillary}.
  • GERG2008, EOS-LNG are now of type MultiFluid{EmpiricAncillary,AsymmetricMixing,EmpiricDeparture}
  • @newmodel macros don't require defining external constructors anymore.
  • SpecialComp (used by pharmaPCSAFT) is now a ClapeyronParam instead of an EoSModel
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