Extraction of Cyclic Ethers from Mixtures Containing Hydrocarbons.

The experimental densities, F, relative permittivities, ε, and refractive indices, n D , of binary mixtures of dihydrofuran-2(3H)-one + butan-1-ol and + butan-2-ol have been measured at T ) (293.15 to 313.15) K and atmospheric pressure over the whole mole fraction range. From density data, excess molar volumes, V E , were calculated at various temperatures. V E is negative for all systems investigated. The experimental results have been correlated using the Redlich-Kister polynomial equation, and parameters from leastsquares analysis have been reported.

Section: Introductionmentioning

confidence: 99%

Relative Permittivities, Refractive Indices, and Densities of Dihydrofuran-2(3H)-one + Butan-1-ol and + Butan-2-ol at T = (293.15, 298.15, 303.15, and 313.15) K

Farhan

Awwad

2009

“…Isobaric temperature–composition phase diagrams for a number of mixtures of lactones (oxolan-2-one or oxepan-2-one) and hydrocarbons (cyclohexane, n -hexane, or n -octane) are shown in Figure , in which SAFT-γ Mie calculations and the limited experimental data available can be compared. Specifically, the experimental LLE data for mixtures of oxolan-2-one and cyclohexane, oxolan-2-one and n -hexane, , and oxepan-2-one and n -hexane can be seen in the figures. Good overall agreement is observed, as indicated by the low AADs summarized in Table .…”

Section: Resultsmentioning

confidence: 99%

“…(b) Oxepan-2-one + cyclohexane, with experimental data for the LLE and SLE . (c) Oxolan-2-one + n -hexane, with experimental data for the LLE. , (d) Oxepan-2-one + n -hexane, with experimental data for LLE . (e) Oxolan-2-one + n -octane, with experimental data for the azeotrope .…”

Section: Resultsmentioning

confidence: 99%

“…The matrix of group interactions used in current and previous work is shown in Table , and the like and unlike group parameter values can be found in Tables , , and with the corresponding references as appropriate. In order to characterize the group interactions, we use pure-component ,− and mixture ,,− data of relevant systems. The new group interactions required to model pure lactones and mixtures of lactones and linear alkanes are cCOO–cCOO, cCOO–cCH 2 , cCOO–cCH, cCOO–CH 3 , and cCOO–CH 2 .…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

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

Bernet,

Wehbe,

Febra

et al. 2023

The prediction of the thermodynamic properties of lactones is an important challenge in the flavor, fragrance, and pharmaceutical industries. Here, we develop a predictive model of the phase behavior of binary mixtures of lactones with hydrocarbons, alcohols, ketones, esters, aromatic compounds, water, and carbon dioxide. We extend the group-parameter matrix of the statistical associating fluid theory SAFT-γ Mie group-contribution method by defining a new cyclic ester group, denoted cCOO. The group is composed of two spherical Mie segments and two association electron-donating sites of type e 1 that can interact with association electron-accepting sites of type H in other molecules. The model parameters of the new cCOO group interactions (1 like interaction and 17 unlike interactions) are characterized to represent target experimental data of physical properties of pure fluids (vapor pressure, single-phase density, and vaporization enthalpy) and mixtures (vapor−liquid equilibria, liquid−liquid equilibria, solid−liquid equilibria, density, and excess enthalpy). The robustness of the model is assessed by comparing theoretical predictions with experimental data, mainly for oxolan-2-one, 5-methyloxolan-2-one, and oxepan-2-one (also referred to as γ-butyrolactone, γvalerolactone, and ε-caprolactone, respectively). The calculations are found to be in very good quantitative agreement with experiments. The proposed model allows for accurate predictions of the thermodynamic properties and highly nonideal phase behavior of the systems of interest, such as azeotrope compositions. It can be used to support the development of novel molecules and manufacturing processes.

Refractive Indices and Relative Permittivities of Liquid Mixtures of γ-Butyrolactone, γ-Valerolactone, δ-Valerolactone, or ε-Caprolactone + Benzene, + Toluene, or + Ethylbenzene at 293.15 K and 313.15 K and Atmospheric Pressure

and

Svejda

1999

The refractive indices, n D , and relative permittivities, , have been measured for the binary liquid mixtures of γ-butyrolactone, γ-valerolactone, δ-valerolactone, or -caprolactone + benzene, + toluene, or + ethylbenzene over the whole composition range at 293.15 K and 313.15 K and atmospheric pressure. For the pure lactones the dipole moments, µ, the molar polarizability, P M , and the molar refractivity, R M , were determined. From the values of and n D of the lactone + benzene mixtures, the Kirkwood correlation factor, g, was calculated indicative of the structures of the mixtures.