v0.6.5

New Features

• Experimental: Bulk properties for Pressure-Enthalpy and Pressure-Entropy, the syntax is the following:

  using Clapeyron: PH
  PH.entropy(model,p,h,z)
  PH.adiabatic_index(model,p,h,z,T0 = T0) #suplying an initial point for the temperature

  The calculation is done via Clapeyron.Tproperty. there are also PT and VT functions for parity.

Bug fixes

• fixes in calculation of spinodal with cubics.
• MultiFluid and SingleFluid errors when T_reducing != Tc.
• fix VT_identify_phase.
• fix GC-to-component asssociation mix when there are non-symmetric values.

What's Changed

• proofread updated docs by @Mo-Gul in #305
• Docs update by @longemen3000 in #306
• Bulk properties with CompositeModel by @longemen3000 in #308

Full Changelog: 0.6.4...v0.6.5

0.6.4

v0.6.4

New Features

• New model: SAFT-VR-Mie with Gross-Vrabec quatrupolar contribution (SAFTVRMieGV)
• New model: Co-Oriented Fluid Functional Equation for Electrostatic interactions (COFFEE)
• Better support for evaluation of model properties at V == Inf (ideal gas limit)
• New method: adiabatic_index, that calculates the ratio between the isobaric and isochoric heat capacities.
• new API: has_fast_crit_pure, to indicate that models can calculate their pure critical point quickly. saturation initial guesses use the result of this function to decide if and when to call the crit_pure routine.
• speed ups in some pressure routines

Bug fixes

• MultiFluid and SingleFluid models did not use the correct gas constant.
• Fix mixing rule in SAFTVRMie.
• VT_identify_phase now returns :unknown for an unstable state input.
• Typos in TProperty for pure models.

What's Changed

• Implementation of polar SAFT-VR Mie by @sonjaamsmith in #302
• docs: fix typos by @Mo-Gul in #304
• Implementation of COFFEE by @pw0908 in #300

New Contributors

• @sonjaamsmith made their first contribution in #302

Full Changelog: v0.6.3...0.6.4

ClapeyronHANNA-v0.1.1

New Features

• support for Clapeyron.split_model
• (experimental) support for multicomponent mixtures
• Documentation and CI

ClapeyronHANNA-v0.1.0

New Features

• Initial Release of ClapeyronHANNA.

v0.6.3

Clapeyron v0.6.3

Diff since v0.6.2

Merged pull requests:

• Tpflash updates (#280) (@longemen3000)
• Spinodals (#285) (@se-schmitt)
• CompatHelper: bump compat for Symbolics in [weakdeps] to 6, (keep exi… (#287) (@longemen3000)
• Bump JuliaRegistries/TagBot from 1.18 to 1.19 (#288) (@dependabot[bot])
• Misc Improvements (#293) (@longemen3000)
• Hanna (#296) (@se-schmitt)
• use more residual properties when available (#297) (@longemen3000)
• Hanna Docs (#298) (@longemen3000)

Closed issues:

• Use for PR, SAFTVRMie, PCSAFT for Compressors (#281)
• Issue with SAFT-VR-Mie models and water+alcohol (#282)
• Derivation for X_exact1 (#283)
• T-s diagram for dry fluids (#289)
• Adding fluid R1234ze(E) - ReidIdeal (#292)
• index_reduction small bug -- eps(::Type{Int64}) (#294)

v0.6.2

Clapeyron v0.6.2

Diff since v0.6.1

v0.6.1

Clapeyron v0.6.1

Diff since v0.6.0

Merged pull requests:

• Assoc fix (#278) (@pw0908)

Closed issues:

• Possible issue with bubble and dew point estimation (or SAFT-gamma Mie) (#262)

v0.6.0

Clapeyron v0.6.0

Diff since v0.5.11

Merged pull requests:

• Bump julia-actions/setup-julia from 1 to 2 (#266) (@dependabot[bot])
• Tproperty solver (#268) (@longemen3000)
• COSMOSAC updates (#270) (@longemen3000)
• MultiPhase TP-Flash (#272) (@longemen3000)
• Bump julia-actions/cache from 1 to 2 (#273) (@dependabot[bot])
• Update COSMOSACdsp.jl (#274) (@gregor-mendel)
• LKP updates (#275) (@longemen3000)
• Adding Support for Electrolyte models (#276) (@pw0908)
• support TPD with activity coefficients (#277) (@longemen3000)

Closed issues:

• EoS: (GC)-PPC-SAFT (#20)
• EOS-CG 2021 (#233)
• Ask for help with sCPA calculating the molar volume of water (#265)
• modified LKP and LKP-SJT (#271)

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)