v0.5.11

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

• Bump codecov/codecov-action from 3 to 4 by @dependabot in #251
• support for H/S reference states by @longemen3000 in #254
• support for superancillaries via loading of EoSSuperancillaries.jl by @longemen3000 in #261
• EOS-CG-2021 by @longemen3000 in #263
• PCPSAFT updates by @longemen3000 in #264

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

v0.5.10

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

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

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

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

Clapeyron v0.5.6

Diff since v0.5.5

v0.5.5

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

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

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

Clapeyron v0.5.2

Diff since v0.5.1