Viscometric, spectroscopic, and computational analyses of molecular interactions in binary mixtures of mesitylene with Heptan-1-ol and benzyl alcohol

Abstract

Viscosities (ηexp) of binary combinations consisting of mesitylene (MES) paired with C7 aliphatic (heptan-1-ol, HepOH) and aromatic (benzyl alcohol, BnOH) alcohols were systematically measured across a range of temperatures (298.15 to 323.15 K; interval, 5 K) under atmospheric pressure conditions (0.10 MPa). Additionally, viscosity deviations (Δη) from ηexp values were calculated and fitted using the Redlich-Kister equation, encompassing the entire span of mole fractions. The ηexp values were compared against ηcal values predicted by the Grunberg-Nissan, Teja-Rice, and Andrade/DIPPR models. The molecular interactions of MES with HepOH or BnOH were also investigated using Fourier transform infrared spectroscopy. Furthermore, density functional theory, a quantum mechanical approach, was employed to assess intra- and intermolecular correlations among the constituent molecules within the binary mixtures. The findings of the study revealed that the molecular interactions in these mixtures are intricate and dependent on the composition of the mixture. In summary, mixtures of MES with BnOH exhibited stronger interactions than those with HepOH.