Clapeyron.jl Versions Save

Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.

v0.5.11

1 month ago

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: https://github.com/ClapeyronThermo/Clapeyron.jl/compare/v0.5.10...v0.5.11

v0.5.10

4 months ago

Clapeyron v0.5.10

Diff since v0.5.9

Merged pull requests:

  • CPA revamp (#244) (@longemen3000)
  • Improved initial point for saturation pressure (#246) (@longemen3000)
  • Add vol0 keyword argument to bulk properties (#247) (@Liozou)
  • Improve PR Ω constants (#248) (@longemen3000)
  • faster saturation_temperature. (#249) (@longemen3000)

Closed issues:

  • Move CPA input to use SI values (#242)

v0.5.9

4 months ago

Clapeyron v0.5.9

Diff since v0.5.8

Merged pull requests:

  • SAFT-VR Mie for solid phase (#238) (@pw0908)
  • Composite Revamp (#240) (@longemen3000)
  • Add Unitful support to all documented bulk properties (#241) (@Liozou)

v0.5.8

5 months ago

Clapeyron v0.5.8

Diff since v0.5.7

Merged pull requests:

  • JutulDarcy.jl extension (#227) (@longemen3000)
  • backport docs-update branch (#228) (@longemen3000)
  • CP-PC-SAFT (#229) (@longemen3000)
  • Bump JuliaRegistries/TagBot from 1.17 to 1.18 (#230) (@dependabot[bot])

Closed issues:

  • Including Cp parameter along side Tm and ΔHfus for sle_solubility (#222)
  • Data extraction from csv file (#223)
  • UNIFAC ether and aldehyde groups error (#225)
  • Defining a custom alpha (#226)

v0.5.7

6 months ago

Clapeyron v0.5.7

Diff since v0.5.6

Merged pull requests:

  • Ppcsaft DQ: revision request (#218) (@beomseok-kang)
  • Bump JuliaRegistries/TagBot from 1.16 to 1.17 (#219) (@dependabot[bot])
  • New GC PC-SAFT models (#220) (@pw0908)
  • Multicomponentflash and Unitful Extensions (#221) (@longemen3000)

v0.5.6

6 months ago

Clapeyron v0.5.6

Diff since v0.5.5

v0.5.5

6 months ago

Clapeyron v0.5.5

Diff since v0.5.4

Merged pull requests:

  • add Polar PCSAFT data of esper et al (#213) (@longemen3000)

v0.5.4

7 months ago

Clapeyron v0.5.4

Diff since v0.5.3

Merged pull requests:

  • Update estim (#211) (@pw0908)

Closed issues:

  • Cubic volume translation confusion (#206)
  • Neon with quantum-corrected PR (#208)

v0.5.3

7 months ago

Clapeyron v0.5.3

Diff since v0.5.2

Merged pull requests:

  • tc-PR, tc-RK, and others (#189) (@longemen3000)
  • Update fusion.csv (#199) (@Kelethabetse)
  • Bump JuliaRegistries/TagBot from 1.15 to 1.16 (#203) (@dependabot[bot])
  • Update cosmosac (#204) (@pw0908)
  • DAPT + ADPCSAFT (#205) (@longemen3000)

Closed issues:

  • docs: Define residual properties (#101)
  • compatibility with coolprop (and teqp) JSON format (#110)
  • tcPR, tcRK and families (#126)
  • Any plan to add SAFT fitting/regression function into package? (#184)
  • Something new that's not in the database (#193)
  • Ternary LLE (#201)

v0.5.2

8 months ago

Clapeyron v0.5.2

Diff since v0.5.1