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• W4386566081 endingPage "123029" @default.
• W4386566081 startingPage "123029" @default.
• W4386566081 abstract "The measurement of density (ρ), viscosity (η) and ultrasonic speed (u) have been conducted at T = 298.15 K–318.15 K and at 0.1 MPa to study the intermolecular interactions between p–chlorotoluene with alkanol (C1–C2). These data were utilized to derive the excess properties like excess molar volume (VmE) , deviation in viscosity (Δη) , excess free energy of activation (ΔG*E), deviation in ultrasonic speed (Δu) , and excess isentropic compressibility (κsE) for binary mixtures. Utilizing the VmE values, partial molar volume and excess partial molar volume were calculated. The Δη and κsE were investigated using theoretical models such as the Singh model and ab initio approach , which yielded interactional parameters that not only indicate the extent of unlike interactions and depolymerization of self–associated alkanol but also predicts the Δη and κsE for these systems. The conclusions of the ab initio approach were further validated by the Singh model for viscosity. The u data were further interpreted by various correlations and theories. Regarding correlation, Nomoto’s correlation demonstrated high predictive power for ultrasonic speed data, respectively, compared to other correlations. The resulting excess properties were fitted to Redlich–Kister polynomial equations. The VmE values were observed to be negative for p–chlorotoluene + alkanol systems at all temperatures. The study of the binary mixtures is significant because it sheds light on the nature of intermolecular interactions which has practical implications in areas such as chemical synthesis, solvent selection, and understanding the effects of solvents on reaction rates and product yields." @default.
• W4386566081 created "2023-09-10" @default.
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• W4386566081 date "2023-11-01" @default.
• W4386566081 modified "2023-10-16" @default.
• W4386566081 title "Volumetric, transport and acoustic properties of binary mixtures containing alkanol at 298.15–318.15 K" @default.
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• W4386566081 doi "https://doi.org/10.1016/j.molliq.2023.123029" @default.
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