Experimental and theoretical studies of binary liquid mixtures containing methyl 2-hydroxyisobutyrate and alkanol (C3-C4 ) at 288.15 K-323.15 K

초록

This study investigates the density ( rho ) and viscosity ( eta ) of a binary mixture of methyl 2-hydroxyisobutyrate (HBM) with alkanol such as isomers of propanol and n - butanol at pressure 0.1 MPa and at T = 288.15 K - 323.15 K. The excess molar volume ( V E m ), and deviation in viscosity ( Delta eta ) for the binary mixtures were calculated by experimentally measured rho and eta data at all temperatures. The V E m and Delta eta values exhibited a negative trend for HBM and alkanol systems and to become increasingly negative as temperature increased. For all the systems, minima occur at about ( x 1 similar or equal to 0 .40 -0 .50) of HBM. The excess properties were associated with the RK polynomial equation. To examine the intermolecular interactions between the binary (1 + 2) mixtures, the V E m and viscosity data were analyzed using a graph theoretical approach (GTA), molecular dynamics (MD) simulations and numerous correlations. Moreover, the excess free energy of activation ( Delta G * E ) was computed utilizing eta data. Additionally, FT - IR spectroscopy supported the development of H -bonding between the constituents ' molecules.

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