Evaluation of molecular interactions in binary mixtures comprising ethylene and di-ethylene glycol with ethyl lactate through thermophysical and spectroscopic studies

Kataria, Jyoti; Rani, Pooja; Devi, Pooja

doi:10.1016/j.molliq.2021.117626

Cited by 10 publications

(5 citation statements)

References 67 publications

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“…The obtained reduced and characteristic parameters for the pure components are presented in Table . The Flory contact interaction parameter, χ 12 , is the essential parameter for the prediction of V m E using PFP theory, which can be derived by fitting experimental data of V m E to eq at an equimolar composition. , The values of three contributions and χ 12 values at an equimolar composition, along with standard deviation, σ( V m E ), are reported in Table . Comparison of V m E values determined by experiment and PFP theory are presented in Figures and S1 (included in the Supporting Information).…”

Section: Resultsmentioning

confidence: 99%

“…The uniform bore in the capillary with graduated marks and a well-fitted Teflon cap ensured precision in measurements. The pycnometer was calibrated prior to measurements using triply distilled, freshly degassed, and deionized water at 298.15 K. For calibration, a dry pycnometer was weighed and then filled with deionized water and placed in a thermostated water bath with an accuracy of 0.10 K for more than 25 min to reach thermal equilibrium . According to the density values of pure water, the volume of the pycnometer ( v ) was calculated using working eq for calibration of the pycnometer as , where m w+e = 13.9402 g is the mass of a filled pycnometer, m e = 8.9175 g represents the mass of an empty pycnometer, m w = 5.0227 g is the mass of the water filled in the pycnometer, and ρ w = 0.99707 g cm –3 (at 298.15 K) is the density of liquid water.…”

Section: Methodsmentioning

confidence: 99%

“…The pycnometer was calibrated prior to measurements using triply distilled, freshly degassed, and deionized water at 298.15 K. For calibration, a dry pycnometer was weighed and then filled with deionized water and placed in a thermostated water bath with an accuracy of 0.10 K for more than 25 min to reach thermal equilibrium. 26 According to the density values of pure water, the volume of the pycnometer (v) was calculated using working eq 2 for calibration of the pycnometer as 48,49…”

Section: Apparatus and Procedurementioning

confidence: 99%

“…Recently, the graph theoretical approach has been shown to have the potential to provide valuable information about the patterns of molecular aggregation in binary mixtures. 25,26 Thus, Graph theory and Prigogine−Flory−Patterson (PFP) theory are employed to analyze structural parameters and correlate experimental V m E values. Furthermore, Fourier-transform infrared (FT-IR) analysis of binary mixtures were performed to confirm the presence of hydrogen bonds and examine the observed thermodynamic results in terms of association/dispersion forces.…”

Section: Introductionmentioning

confidence: 99%

“…Since a two-component mixture is formed by replacing like contacts in a pure state with unlike contacts in a mixture, the formation of molecular units in the current mixture is new, which may be visualized through changes in the topology of GVL during mixing. Recently, the graph theoretical approach has been shown to have the potential to provide valuable information about the patterns of molecular aggregation in binary mixtures. , Thus, Graph theory and Prigogine–Flory–Patterson (PFP) theory are employed to analyze structural parameters and correlate experimental V m E values. Furthermore, Fourier-transform infrared (FT-IR) analysis of binary mixtures were performed to confirm the presence of hydrogen bonds and examine the observed thermodynamic results in terms of association/dispersion forces.…”

Section: Introductionmentioning

confidence: 99%

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Volumetric, Optical, and Spectroscopic Study of Molecular Interactions for Binary Liquid Mixtures of Gamma-Valerolactone with 2-Alkoxyethanols

Kataria

Rani

2022

J. Chem. Eng. Data

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Physical parameters such as densities, ρ, and refractive indices, n D , 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, V m E , deviations in refractive indices, Δ ϕ n D , and deviations in molar refractions, Δ ϕ R M , 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, V m,1 , V m,2 , and excess partial molar volumes, V m,1 E , V m,2 E , were also computed. The Prigogine−Flory−Patterson theory and Graph theory were employed to correlate experimental V m E 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 V m E and negative values of Δ ϕ n D were observed, which suggests weak dispersion forces between dissimilar molecules.

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Section: Resultsmentioning

confidence: 99%