Excess Volumes of Binary Mixtures of γ-Butyrolactone with Some Aliphatic and Isomeric Alcohols

Abstract

Excess volume data on mixing for binary mixtures of y-Butyrolactone with propan-1-01. butan-1-01. pentan-1-01. hexan-1-01, propan-2-01, 2 methyl propan-1-01, 3 methyl butan-1-01. have been determined at 303.15 K . The V 6 values are negative over the whole range of composition in mixtures containing propan-1-01, propan-2-01, butan-1-01, 2 methyl propan-1-01, and 3 methyl butan-1-01, In pentan-1-01, however. V 6 is negative at lower molefractions and positive at higher molefractions, whereas in hexan-1-01 the value of V E are positive throughout the entire concentration range, which indicates significant interaction between y-butyrolactone and the aliphatic and isomeric groups. These values are attributed to weak complex formation and predominating de-association of associated liquids by y-butyrolactone. The results are ascribed to interactions between unlike molecules.

Modeling the Thermodynamic Properties of Saturated Lactones in Nonideal Mixtures with the SAFT-γ Mie Approach

“…In the case of the solubility of oxepan-2-one in ketones (Figure b) and aromatic compounds (Figure b), eutectic points are found. The density of oxolan-2-one mixtures is abundantly documented, − ,,, and we have presented results for mixtures with alcohols (Figures c and b), esters (Figure c), aromatic compounds (Figure a), and water (Figure b). The density is found to be nonideal in most of the cases considered, with a concave or convex shape as a function of mole fraction.…”

“…The density is found to be nonideal in most of the cases considered, with a concave or convex shape as a function of mole fraction. The values found for the excess molar enthalpy, both in the literature 88,89,96,100,103,105,118 and from the SAFT-γ Mie calculations, are generally small as can be seen for the mixtures of oxolan-2-one with hydrocarbons (Table 8), alcohols (Figure 7d), esters (Figure 11d), aromatic compounds (Figure 13b), and water (Figure 14c). The parameters characterized in this work are transferable to other lactones, given the group-contribution nature of the SAFT-γ Mie equation of state, such that more complex molecules modeled with the cCOO group can be considered in future work.…”

“…The unlike group interaction parameters are estimated from VLE, − SLE, single-phase density, − and excess enthalpy , experimental data. In particular, the corresponding isobaric VLE data are shown in Figure a for 5-methyloxolan-2-one + methanol and 5-methyloxolan-2-ol + ethanol.…”

“…97 (d) Excess enthalpy of oxolan-2-one + primary alcohols at 298.15 K, with experimental data for methanol, 100 hexan-1-ol, 96 heptan-1-ol, 96 octan-1-ol, 96 and decan-1-ol. 96 Thermodynamic conditions and the accuracy of the calculations are detailed in Table 9 and in the Zenodo datafile. ) and (b) azeotrope temperatures (T az ) for mixtures of oxolan-2-one + linear primary alcohols.…”

“…The reported values are positive, as well as negative, depending on the mixture and are remarkably small with a maximum value of only 413 J/mol for an equimolar mixture of oxolan-2-one + Isobaric vapor−liquid equilibria of 5-methyloxolan-2-one + secondary alcohols, with experimental data for propan-2-ol. 95 (b) Density of oxolan-2-one + secondary alcohols at 303.15 K, with experimental data for propan-2-ol 96 and butan-2-ol. 98 Thermodynamic conditions and the accuracy of the calculations are detailed in Table 10 and in the Zenodo datafile.…”