ClapeyronThermo/Clapeyron.jl: v0.6.13

Published June 3, 2025 | Version v0.6.13

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Clapeyron v0.6.13

Combining rules: support for matrices for all inplace combining rules
improved speed for in bubbledew calculations with nonvolatiles/noncondensables when one phase has only one element.
new method: calculation of internal energy - volume flash (uv_flash) for single component models.
MultiFluid: support for Double-Exponential terms.
Cubics: new function, CubicModel(modeltype,params,components;kwargs...) that constructs a cubic model. All Clapeyron cubic models,as well as CPA, now use this function for their constructors.
SAFTgammaMie new method: SAFTgammaMie(groups::GroupParam,param::Dict{String,ClapeyronParam}) for easier construction.

CPA: improved recombining rules
SingleFluid: derivatives of non-analytical terms at exactly the critical point are now calculated at an inifinitesimal point (τ + εₜ,δ + εᵥ). This returns in somewhat better results than setting the whole term to zero.
improved volume initial points for SingleFluid
fixed bugs in recombine!(model::SAFTgammaMie)
fixed bugs in recombine!(model::SAFTVRMie)
Improvement of XY-flash results when one of the bubbledew calculation fails.
fix bug when using MultiParameter EoS with tp-flash.
assoc views: the sizes of assoc view now respect symmetry (diagonal entries have a square size) and transpose (assoc_param[i,j] == transpose(assoc_param[j,i])). Index access is not affected.
x0_volume: return valid gas guess when B > 0.

Merged pull requests:

Generate generic SAFTgammaParam and hence model compatability with AD (#372) (@Garren-H)

Closed issues:

0.5 breaking changes (#160)
SPT-NRTL ("NRTL-GPT") (#183)
Integration with Symbolics.jl (#186)
Something new that's not in the database (#193)
Help with modelling activity coefficients in UNIFAC (#252)
Clarification/issue in SoftSAFT implementation (#279)
About parameter estimation for binary LLE (like methanol+ hexane) using PC-SAFT (#348)
Activity coefficient parameter correlation tutorial (#365)
isobaric_heat_capacity (and other properties) fail with MTK symbolic inputs ("ifelse" error)) (#378)

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ClapeyronThermo/Clapeyron.jl-v0.6.13.zip md5:b852934526df8e895eafa32605544d86	19.2 MB	Preview Download

Is supplement to: Software: https://github.com/ClapeyronThermo/Clapeyron.jl/tree/v0.6.13 (URL)