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Volumetric, Optical, and Spectroscopic Study of Molecular Interactions for Binary Liquid Mixtures of Gamma-Valerolactone with 2-Alkoxyethanols
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2022-09-05 , DOI: 10.1021/acs.jced.2c00328 Jyoti Kataria 1 , Pooja Devi 1 , Pooja Rani 1
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2022-09-05 , DOI: 10.1021/acs.jced.2c00328 Jyoti Kataria 1 , Pooja Devi 1 , Pooja Rani 1
Affiliation
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Physical parameters such as densities, ρ, and refractive indices, nD, of pure gamma-valerolactone/2-alkoxyethanols and their binaries have been determined over the whole composition range at different temperatures (298.15, 303.15, 308.15, and 313.15 K) and pressure = 0.1 MPa. From the experimental results, excess properties such as excess molar volumes, VmE, deviations in refractive indices, ΔϕnD, and deviations in molar refractions, ΔϕRM, have been calculated. The predicted data were fitted to the Redlich–Kister-type polynomial equation to derive the binary interaction parameters and recognize standard deviations between experimental and calculated values of the liquid solutions. Furthermore, the partial molar volumes, 
, 
, and excess partial molar volumes, 
, 
, were also computed. The Prigogine–Flory–Patterson theory and Graph theory were employed to correlate experimental VmE values. The departure of real mixtures from ideal behavior was interpreted in terms of strength and nature of molecular interactions. Furthermore, Fourier-transform infrared spectroscopy studies of the investigated solution along with pure components were also reported to obtain a better insight into intermolecular interactions between unlike molecules. In our study, positive values of VmE and negative values of ΔϕnD were observed, which suggests weak dispersion forces between dissimilar molecules.
中文翻译：
γ-戊内酯与 2-烷氧基乙醇的二元液体混合物分子相互作用的体积、光学和光谱研究
已在不同温度（298.15、303.15、308.15 和 313.15 K）的整个组成范围内确定了纯 γ-戊内酯/2-烷氧基乙醇及其二元化合物的物理参数，例如密度 ρ 和折射率n D ，以及压力 = 0.1 兆帕。从实验结果来看，过量特性，如过量摩尔体积V m E，折射率偏差 Δ φ n D和摩尔折射偏差 Δ φ R M, 已计算。将预测数据拟合到 Redlich-Kister 型多项式方程，以得出二元相互作用参数并识别液体溶液的实验值和计算值之间的标准偏差。此外，偏摩尔体积，,，以及过量的偏摩尔体积，,, 也进行了计算。Prigogine-Flory-Patterson 理论和图论被用来关联实验V m E值。实际混合物与理想行为的偏离可以根据分子相互作用的强度和性质来解释。此外，还报道了对所研究溶液以及纯组分的傅里叶变换红外光谱研究，以更好地了解不同分子之间的分子间相互作用。在我们的研究中，观察到V m E的正值和 Δ φ n D的负值，这表明不同分子之间的分散力较弱。
更新日期：2022-09-05
, , and excess partial molar volumes, , , were also computed. The Prigogine–Flory–Patterson theory and Graph theory were employed to correlate experimental VmE values. The departure of real mixtures from ideal behavior was interpreted in terms of strength and nature of molecular interactions. Furthermore, Fourier-transform infrared spectroscopy studies of the investigated solution along with pure components were also reported to obtain a better insight into intermolecular interactions between unlike molecules. In our study, positive values of VmE and negative values of ΔϕnD were observed, which suggests weak dispersion forces between dissimilar molecules.
中文翻译：
γ-戊内酯与 2-烷氧基乙醇的二元液体混合物分子相互作用的体积、光学和光谱研究
已在不同温度（298.15、303.15、308.15 和 313.15 K）的整个组成范围内确定了纯 γ-戊内酯/2-烷氧基乙醇及其二元化合物的物理参数，例如密度 ρ 和折射率n D ，以及压力 = 0.1 兆帕。从实验结果来看，过量特性，如过量摩尔体积V m E，折射率偏差 Δ φ n D和摩尔折射偏差 Δ φ R M, 已计算。将预测数据拟合到 Redlich-Kister 型多项式方程，以得出二元相互作用参数并识别液体溶液的实验值和计算值之间的标准偏差。此外，偏摩尔体积，
,，以及过量的偏摩尔体积，,, 也进行了计算。Prigogine-Flory-Patterson 理论和图论被用来关联实验V m E值。实际混合物与理想行为的偏离可以根据分子相互作用的强度和性质来解释。此外，还报道了对所研究溶液以及纯组分的傅里叶变换红外光谱研究，以更好地了解不同分子之间的分子间相互作用。在我们的研究中，观察到V m E的正值和 Δ φ n D的负值，这表明不同分子之间的分散力较弱。
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