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support TPD with activity coefficients #277

Merged
merged 7 commits into from
Jun 9, 2024
Merged

support TPD with activity coefficients #277

merged 7 commits into from
Jun 9, 2024

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longemen3000
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MWE

julia> model = UNIFAC(["water","hexane"])
UNIFAC{PR{BasicIdeal, PRAlpha, NoTranslation, vdW1fRule}} with 2 components:
 "water": "H2O" => 1
 "hexane": "CH3" => 2, "CH2" => 4
Group Type: UNIFACDortmund
Contains parameters: A, B, C, R, Q

julia> tpd(model,1e5,300,[0.5,0.5], lle = true)[1]
2-element Vector{Vector{Float64}}:
 [0.9999223773695307, 7.762263046923225e-5]
 [0.01538030004771636, 0.9846196999522837]

@longemen3000 longemen3000 merged commit d550dd3 into master Jun 9, 2024
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