v0.6.7

v0.6.7

Bug Fixes

• Fixed bugs on the PH and PS modules.
• Symbolics.jl extension now compiles correctly.
• Stability improvements in xy_flash
• spinodal_temperature can now generate initial guesses when pressure is negative

Diff since v0.6.6

Closed issues:

• dew temperature abnormality with water? (#290)
• How to compute bulk properties of mixtures in the two-phase region (isobaric process)? (#295)
• Query on Property Calculation in the Two-Phase Region (#303)
• Tproperty bugs (#309)
• error in enthalpy of PR (#317)
• Precompiling Clapeyron (cache misses: wrong source (1)) (#321)
• mixing enthalpy for ethanol/water (#323)
• ERROR: MissingException: Missing values exist ∈ single parameter Q: ["OH(P)"] when constructing UNIFAC Activity Model with Ethanol and another molecular. (#326)

ClapeyronHANNA-v1.1.1

ClapeyronHANNA ClapeyronHANNA-v1.1.1

Diff since ClapeyronHANNA-v1.1.0

Closed issues:

• dew temperature abnormality with water? (#290)
• How to compute bulk properties of mixtures in the two-phase region (isobaric process)? (#295)
• Query on Property Calculation in the Two-Phase Region (#303)
• Tproperty bugs (#309)
• error in enthalpy of PR (#317)
• Precompiling Clapeyron (cache misses: wrong source (1)) (#321)
• mixing enthalpy for ethanol/water (#323)
• ERROR: MissingException: Missing values exist ∈ single parameter Q: ["OH(P)"] when constructing UNIFAC Activity Model with Ethanol and another molecular. (#326)

v0.6.6

New Features

• New general formulation for flashes. the formulation supports any combination of P,T,H,U,S,V,vapour fraction (q),given that initial values are provided. the formulation can be accessed via calling the function Clapeyron.xy_flash(model,spec::FlashSpecifications,z,components0,fractions0,volumes0,T0)
• New methods: flashes based on the general formulation, with automatic initialization:
  • p-H flash: (ph_flash)
  • p-S flash: (ps_flash)
  • V-T flash: (vt_flash)
  • T-S flash: (ts_flash)
  • vapour fraction - T flash: (qt_flash)
  • vapour fraction - P flash: (qp_flash)
• New Flash method: GeneralizedXYFlash, the only available method for other flashes that are not P-T formulations.
• New method: Clapeyron.set_reference_state!(model::EoSModel,state::ReferenceState;verbose = false), that allows setting reference states for any model that supports it.
• flashes (with the exception of tp_flash) now return a FlashResult object. Clapeyron.tp_flash2 returns a FlashResult that is converted to the old format internally.
• New function: PProperty(model,T,prop,z,property), that calculates the pressure in T-X coordinates.
• Activity models and Composite-γ-ϕ Models can now be used to calculate caloric properties.
• Activity models and Composite-γ-ϕ Models have support for setting reference states.
• Better Base.show methods for some Clapeyron.jl structs
• Reference states are now shown for models.
• the default method for tp_flash was changed to MichelsenTPFlash

Bug Fixes

• TProperty fixes and stability improvements.
• stability improvements in calculation of bubble/dew initial points
• stability improvements when calculating Rachford-Rice iterations.
• fixes for setting reference states with cubic EoS, SAFT-γ-Mie and other custom EoS not created via @newmodel macros.
• fixes for some component names not being used in empiric EoS
• fixes for crit_mix

What's Changed

• Keep formatting for new doc stuff by @Mo-Gul in #310
• Update HANNA Model to v1.0.0 by @se-schmitt in #315

Full Changelog: v0.6.5...v0.6.6

ClapeyronHANNA-v1.1.0

New Features

• updated minimum Clapeyron version to 0.6.6
• Support for reference states
  Full Changelog: ClapeyronHANNA-v1.0.0...ClapeyronHANNA-v1.1.0

ClapeyronHANNA-v1.0.0

What's Changed

• Update HANNA Model to v1.0.0 by @se-schmitt in #315

Full Changelog: ClapeyronHANNA-v0.1.1...ClapeyronHANNA-v1.0.0

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)