Clapeyron v0.6.13

Diff since v0.6.12

v0.6.13

New Features

• 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.

Bug Fixes

• 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)