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. 2023 Nov 10;69(2):650–678. doi: 10.1021/acs.jced.3c00358

Table 9. Overview of the of Accuracy SAFT-γ Mie in the Calculation of Azeotrope Compositions xazoxolan-2-one and Temperatures Taz, Bubble Temperatures Tbub, Dew Temperatures Tdew, Bubble Pressures Pbub, Solubilities xsat1, Densities ρ, and Molar Excess Enthalpies Δhmix for Mixtures of Lactones and Primary Alcohols, Where NDs,p Is the Number of Experimental Data Used in the the Parameter Estimation, and ND,totals,p Is the Number of Experimental Data Used to Calculate %AADsp and AADsp for System s and Property p.

system s (1 + 2) T/K range P/MPa range x1 range NDs,p Ntotals,p %AADsxazoxolan-2-one AADsxazoxolan-2-one figure ref
oxolan-2-one + pentan-1-ol 0.00267 0 1 100.0 0.002 8(a) (83)
oxolan-2-one + hexan-1-ol 0.00267 0 1 67.48 0.083 8(a) (83)
oxolan-2-one + heptan-1-ol 0.00267 0 1 17.30 0.06800 8(a) (83)
oxolan-2-one + octan-1-ol 0.00267 0 1 6.716 0.04365 8(a) (83)
oxolan-2-one + nonan-1-ol 0.00267 0 1 1.698 0.01444 8(a) (83)
oxolan-2-one + decan-1-ol 0.00267–0.101 0 2 12.03 0.1173 8(a) (83)
oxolan-2-one + undecan-1-ol 0.101 0 1 11.38 0.113 8(a) (83)
system s (1 + 2) T/K range P/MPa range x1 range NDs,p Ntotals,p %AADsTaz AADsTaz/K figure ref
oxolan-2-one + pentan-1-ol 0.00267 0 1 0.1874 0.6167 8(b) (83)
oxolan-2-one + hexan-1-ol 0.00267 0 1 0.4756 1.632 8(b) (83)
oxolan-2-one + heptan-1-ol 0.00267 0 1 0.3069 1.090 8(b) (83)
oxolan-2-one + decan-1-ol 0.00267–0.101 0 2 0.5516 2.357 8(b) (83)
oxolan-2-one + undecan-1-ol 0.101 0 1 0.0879 0.4210 8(b) (83)
system s (1 + 2) T/K range P/MPa range x1 range NDs,p Ntotals,p %AADsTbub AADsTbub/K figure ref
oxolan-2-one +1,4-butanediol 0.030–0.070 0.00–1.00 18 36 0.8126 3.792 (94)
5-methyloxolan-2-one + methanol 0.101 0.00–0.82 18 18 0.3492 1.269 7(a) (95)
5-methyloxolan-2-one + ethanol 0.101 0.00–0.82 12 35 0.1422 0.5184 7(a) (95)
system s (1 + 2) T/K range P/MPa range x1 range NDs,p Ntotals,p %AADsTdew AADsTdew/K figure ref
oxolan-2-one +1,4-butanediol 0.030–0.070 0.00–1.00 18 36 0.8611 3.998 (94)
5-methyloxolan-2-one + methanol 0.101 0.00–0.03 6 18 0.3080 1.112 7(a) (95)
5-methyloxolan-2-one + ethanol 0.101 0.00–0.05 12 35 0.3411 1.261 7(a) (95)
system s (1 + 2) T/K range P/MPa range x1 range NDs,p Ntotals,p %AADsPbub AADsPbub/Pa figure ref
oxolan-2-one +1,4-butanediol 373–423 0.00–1.00 32 32 14.73 795.3 (92,93)
system s (1 + 2) T/K range P/MPa range x1 range NDs,p Ntotals,p %AADsxsat1 AADsxsat1 figure ref
oxepan-2-one in methanol 204–272 0.101 21 22 1.702 0.007757 7(b) (66)
oxepan-2-one in propanol 204–272 0.101 19 20 4.388 0.01220 7(b) (66)
system s (1 + 2) T/K range P/MPa range x1 range NDs,p Ntotals,p %AADs ρ AADs ρ/(kg/m3) figure ref
oxolan-2-one + methanol 298 0.101 0.00–1.00 11 11 0.5953 6.281 7(c) (97)
oxolan-2-one + ethanol 298 0.101 0.00–1.00 11 11 0.9588 8.877 7(c) (97)
oxolan-2-one + butan-1-ol 293–303 0.101 0.00–1.00 24 59 1.209 11.29 7(c) (97,98)
oxolan-2-one + octan-1-ol 298 0.101 0.00–1.00 0 11 3.438 31.92 7(c) (97)
oxolan-2-one + 2-methyl-1-propanol 303 0.101 0.00–1.00 10 10 1.367 12.39 (96)
oxolan-2-one + 3-methyl-1-butanol 303 0.101 0.00–1.00 10 10 1.384 12.59 (96)
system s (1 + 2) T/K range P/MPa range x1 range NDs,p Ntotals,p %AADs Δhmix AADs Δhmix/(J/mol) figure ref
oxolan-2-one + methanol 298 0.101 0.89–0.99 5 5 4.694 12.56 7(d) (100)
oxolan-2-one + hexan-1-ol 298 0.101 0.12–0.94 12 12 7.594 113.3 7(d) (99)
oxolan-2-one + heptan-1-ol 298 0.101 0.15–0.95 12 12 4.447 74.57 7(d) (99)
oxolan-2-one + octan-1-ol 298 0.101 0.17–0.95 0 12 9.077 172.5 7(d) (99)
oxolan-2-one + decan-1-ol 298 0.101 0.21–0.96 0 12 11.06 206.2 7(d) (99)