Molecular interaction in the binary mixtures of tetrahydrofuran and 1,4-dioxane with methanol. New UNIFAC-VISCO interaction parameters for cyclic ethers

Densities (q), viscosities (g), and refractive indices (nD) have been measured for binary organic systems of methanol (MeOH) with tetrahydrofuran (THF) and 1,4-dioxane (DXN) over the entire range of composi-tion, and at different temperatures between 298.15 and 318.15 K. From the data of q, g, and nD, properties such as excess molar volume, VEm, thermal expansivity, a, excess thermal expansivity, aE, deviation in vis-cosity, Ag, free energy for the activation of viscous flow, AG-, and its excess, AG-E, and deviation in refractive index, AnD, were derived. Measured q, g, and nD were correlated with the concentration-dependent polynomial equations, and their excess properties were fitted with Redlich-Kister type equa-tions. Temperature-dependent Jouyban-Acree model was also used to correlate the experimental q and g. Negative values of Vm E and Ag, and AG-E lead to reveal that the effect of cross hydrogen bonding plays a significant role in both the systems of THF + MeOH and DXN + MeOH. Finally, six new pairs of group- group interaction parameters, anm, were determined for these cyclic ethers, which can be utilized in extending further the applicability of UNIFAC-VISCO model. & COPY; 2023 Elsevier B.V. All rights reserved.

Automated summary

Densities, viscosities, and refractive indices were measured for binary systems of methanol with tetrahydrofuran and 1,4-dioxane over a range of compositions and temperatures. Properties such as excess molar volume, thermal expansivity, deviation in viscosity, free energy for the activation of viscous flow, and deviation in refractive index were derived. The effect of cross hydrogen bonding was found to be significant in both systems. The study also determined group-group interaction parameters for these cyclic ethers to extend the applicability of UNIFAC-VISCO model.