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v0.5.11

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@longemen3000 longemen3000 released this 28 Mar 20:27
· 145 commits to master since this release

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. The BasicIdeal 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 general x0_sat_pure function. in the case of PCSAFT models, it also speeds up the evaluation of crit_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

  • Incorrect value for CPA with water (#256)
  • Bug in SAFT-VR-SW (#165)
  • Bug in CP-PC-SAFT

Merged PRs

Full Changelog: v0.5.10...v0.5.11