ClapeyronThermo/Clapeyron.jl: ClapeyronHANNA-v0.1.0

ClapeyronHANNA ClapeyronHANNA-v0.1.0

Merged pull requests:

• Methods (#1) (@pw0908)
• SAFT-VR Mie chain term produced. Various methods prototyped (#2) (@pw0908)
• Critical point, sPCSAFT and fixed Pressure (#3) (@pw0908)
• Methods (#4) (@pw0908)
• ogSAFT and Assoc (#5) (@pw0908)
• Adding parameter stuff to Methods (#6) (@pw0908)
• Methods (#7) (@pw0908)
• Paper (#8) (@pw0908)
• Saf tgamma mie (#12) (@pw0908)
• Julia optimizations - part 1 (#13) (@longemen3000)
• Test errors (#15) (@longemen3000)
• fix error on createfilepath, take 2 (#16) (@longemen3000)
• Minor fixes (#17) (@dalum)
• Database (#18) (@ypaul21)
• missing things (#19) (@longemen3000)
• Update methods.jl to fix molecular weights calculation (#28) (@rameshputalapattu)
• New functions molar_density and mass_density added (#30) (@rameshputalapattu)
• Split and cached model (#33) (@longemen3000)
• CompatHelper: add new compat entry for PositiveFactorizations at version 0.2, (keep existing compat) (#35) (@github-actions[bot])
• Mixing rules (#36) (@pw0908)
• added improved x0_sat_pure (#38) (@longemen3000)
• Update activity branch with new modifications (#39) (@pw0908)
• Update activity branch (#40) (@pw0908)
• minor typo in the PT_flash function for the bubble point case (#41) (@rameshputalapattu)
• Update from master (#42) (@pw0908)
• CompatHelper: bump compat for CSV to 0.9, (keep existing compat) (#45) (@github-actions[bot])
• Fix CSV.jl deprecations (#46) (@stillyslalom)
• Speeding up SAFT Gamma Mie (and SAFT in general) (#47) (@longemen3000)
• Updating Electrolyte Branch (#50) (@pw0908)
• Site optimization: exact solution from when there is only one interaction (#53) (@longemen3000)
• Cubic (mixing) optimization (#55) (@longemen3000)
• Add tp_flash & example notebook (#56) (@denbigh)
• Assoc options (#57) (@longemen3000)
• CompatHelper: add new compat entry for Metaheuristics at version 3, (keep existing compat) (#58) (@github-actions[bot])
• Update Electrolyte Branch (#59) (@pw0908)
• Merging Documentation Modifications (#60) (@pw0908)
• GERG rewrite (#61) (@longemen3000)
• made PR autodiffable, like RK (#64) (@TJP-Karpowski)
• Docs, Assoc Matrix (#66) (@longemen3000)
• CompatHelper: bump compat for FillArrays to 0.13, (keep existing compat) (#68) (@github-actions[bot])
• add nitrous oxide molar mass (#69) (@lucpaoli)
• Trying new method for saturation_temperature (#71) (@pw0908)
• Add chemical stability check (#72) (@lucpaoli)
• Index reduction (#76) (@longemen3000)
• pharmaPCSAFT and combining rules (#77) (@longemen3000)
• QCPR and EPPR78 (#81) (@pw0908)
• forgot to include AssocOptions (#87) (@pw0908)
• Backports 0.3.6 (#90) (@longemen3000)
• Add helium to molarmass.csv (#91) (@lucpaoli)
• Pure Fluid Saturation, Stability Analysis (tpd function), Two phase TP flash (#92) (@gustavochm)
• Volume calculation for cubic equations of state was using mole fractions rather than mole numbers (#95) (@lucpaoli)
• Isofugacity calculation for bubble and dew points (#98) (@gustavochm)
• Cubic Revamp (#99) (@longemen3000)
• initial solid phase support, database revamp (#105) (@longemen3000)
• bounded RR and ASS in TP flash (#115) (@gustavochm)
• GE_SAFT_mixing (#116) (@pw0908)
• Composite correlation models (#118) (@longemen3000)
• Activity equilibria methods rework, chapman activity coefficient (#119) (@longemen3000)
• add invalidations.yml, test for ambiguities (#120) (@longemen3000)
• CompatHelper: add new compat entry for CSV at version 0.10, (keep existing compat) (#121) (@github-actions[bot])
• Update Estimation Branch (#123) (@pw0908)
• Database rework: part 2 (#124) (@longemen3000)
• Implace param updates (#125) (@longemen3000)
• recombine! for cubics (#128) (@longemen3000)
• VRQ mie fixes (#133) (@longemen3000)
• Estimation (#136) (@pw0908)
• breaking changes - Release 0.4 (#137) (@longemen3000)
• Structured SAFT-gamma Mie and heterogenous gc-PC-SAFT (#141) (@pw0908)
• Ammonia 2023 paper (#147) (@longemen3000)
• Unify all Single Empiric Helmoltz models under one struct (#148) (@longemen3000)
• add proper namespace identifiers to more structs inside @newmodel macros (#155) (@longemen3000)
• allow passing a NamedTuple to userlocations kwarg (#156) (@longemen3000)
• Some docs for the u and w vectors for Gauss-Laguerre (#159) (@ianhbell)
• Add experimental data points to heat capacity plot (#163) (@tkeskita)
• TP-Flash with activity models (#164) (@longemen3000)
• Bump actions/cache from 1 to 3 (#166) (@dependabot[bot])
• Bump actions/checkout from 2 to 3 (#167) (@dependabot[bot])
• Bump codecov/codecov-action from 1 to 3 (#168) (@dependabot[bot])
• Bump JuliaRegistries/TagBot from 1.10 to 1.14 (#169) (@dependabot[bot])
• Update CI (#170) (@longemen3000)
• revamp kwarg and dispatch handling for methods (NFC) (#174) (@longemen3000)
• Add PPCSAFT implementation (#176) (@pw0908)
• Fix typo and add Julia version requirement (#177) (@tkeskita)
• Fix detection of real cubic roots (#185) (@Liozou)
• Add Symbolics extension. (#187) (@longemen3000)
• tc-PR, tc-RK, and others (#189) (@longemen3000)
• revamp of @newmodel macros (#191) (@longemen3000)
• Solid solubility (#194) (@pw0908)
• Bump JuliaRegistries/TagBot from 1.14 to 1.15 (#195) (@dependabot[bot])
• (not) Measurements ext (#196) (@pw0908)
• Solid solubility (#197) (@pw0908)
• Bump actions/checkout from 3 to 4 (#198) (@dependabot[bot])
• 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)
• Update estim (#211) (@pw0908)
• add Polar PCSAFT data of esper et al (#213) (@longemen3000)
• 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)
• 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])
• SAFT-VR Mie for solid phase (#238) (@pw0908)
• Composite Revamp (#240) (@longemen3000)
• Add Unitful support to all documented bulk properties (#241) (@Liozou)
• 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)
• Bump codecov/codecov-action from 3 to 4 (#251) (@dependabot[bot])
• support for H/S reference states (#254) (@longemen3000)
• support for superancillaries via loading of EoSSuperancillaries.jl (#261) (@longemen3000)
• EOS-CG-2021 (#263) (@longemen3000)
• PCPSAFT updates (#264) (@longemen3000)
• 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)
• Assoc fix (#278) (@pw0908)
• 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)

Closed issues:

• gas volume solver (#9)
• get_properties should return just one eval point (#10)
• EoS: (GC)-PPC-SAFT (#20)
• Minor Issue regarding instructions (#21)
• The log in ahc (#24)
• Inaccurate property methods (#25)
• Dependency issues when using Clapyron (#26)
• TagBot trigger issue (#27)
• Error in mapreduce call while calculating molecular weights. (#29)
• Problems with sat_pure (#31)
• Problems with bubble_pressure (#32)
• Wrong functions in example notebooks (#43)
• seems wrong definition of internal energy (#49)
• teqp introduction (#51)
• bubble_pressure with SAFTgammaMie (#52)
• better association handling (#54)
• VLE/VLLLE (#67)
• Improvements to solve for the association fraction (#70)
• E-PPR78 (#78)
• Quantum cubic equations (#79)
• SMILES parser for group contribution methods (#80)
• CITATION.bib (#83)
• Structured SAFT gamma Mie (#84)
• Ammonia Multifluid (#85)
• Clapeyron 0.4.0 (#94)
• Volume solver stability check bypassed (#96)
• docs: Define residual properties (#101)
• SolidLiquidVapor EoS (#103)
• fugacity_coefficient throwing error from static arrays (#104)
• compatibility with coolprop (and teqp) JSON format (#110)
• SAFT EOS example not executing as intented (#112)
• multi-component_vle_vlle_lle_crit issue (#113)
• speed of Calpeyron (#122)
• tcPR, tcRK and families (#126)
• Example for SAFT-VRQ (#127)
• Failure of calculation with SAFT-VRQ (#129)
• Extend cite for BibTeX (#130)
• Error for int arguments (#131)
• HELP - not an issue (#138)
• bug in FractionVector when length(x) == 0 (#140)
• PC-SAFT superanciliiary (#143)
• Help - trying to make LLE with UNIFAC (Not an issue) (#144)
• Accessing and modifying model parameters via REPL - SAFTgammaMie (#145)
• Wrong DOI for SAFTVRMIE (#146)
• Specific heat capacity of water (#149)
• Questions for SAFT-VR-Mie implementation (#150)
• Ordered results for DETPFlash (#151)
• Diameters in SAFT-VR-Mie appear to be incorrect (#152)
• add Clapeyron installation fails with Unsatisfiable requirements detected for package Clapeyron (#153)
• Missing type when adding custom model (#154)
• Module reference in @registermodel (#157)
• Method overloading when registering new model (#161)
• Model initialization errors in example notebooks (#162)
• bug in SAFT-VR SW? (#165)
• BoundsError in example/mixing_functions notebook (#171)
• SRK not reading critical temperature (Tc) (#175)
• Soft-SAFT SLVE (#178)
• Error in unlike epsilon calculations - combining rules (#179)
• Precompilation (#180)
• Any plan to add SAFT fitting/regression function into package? (#184)
• ParamTable doesn't detect the acentric factor parameter (#188)
• Typo within x0_bubble_temperature code (#190)
• Ternary LLE (#201)
• Cubic volume translation confusion (#206)
• Neon with quantum-corrected PR (#208)
• Error When calculating sle_solubility for composite function using pharmaPCSAFT (#212)
• Error when creating PPCSAFT models in new release (#214)
• 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)
• EOS-CG 2021 (#233)
• Saturation solves fail moving from 0.5.7 to 0.5.8 (#237)
• Move CPA input to use SI values (#242)
• Wrong conversion of parameters for water in CPA (#256)
• Installation problems with precompilation (Setfield not defined) (#257)
• Evaluation of CPA at too high a density yields no error, just NaN (#259)
• Possible issue with bubble and dew point estimation (or SAFT-gamma Mie) (#262)
• Ask for help with sCPA calculating the molar volume of water (#265)
• modified LKP and LKP-SJT (#271)
• 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)