Thermophysical Properties of the Methyl tert-Butyl Ether + Benzene + n-Hexane Ternary System within the Temperature Range (293.15–313.15) K and Under Ambient Pressure: An Experimental and Modeling Approach

Abstract

Experimental densities and sound speeds at temperatures (293.15, 298.15, 303.15, and 313.15) K and under ambient pressure conditions are reported for the first time for the ternary system {MTBE + benzene + n-hexane} covering the entire composition range. The corresponding binary subsystems have also been studied. The excess molar volume and excess isentropic compressibility, derived from experimental density and sound speed data, were correlated using Redlich-Kister and Cibulka equations for binary and ternary systems, respectively. The composition and temperature dependence of these properties provided insights into the nature of molecular interactions and structural effects within the mixtures. The Perturbed Chain Statistical Associating Fluid Theory Equation of State was used to model the densities of both binary and ternary mixtures using a predictive approach. Schaaff’s Collision Factor Theory and Nomoto’s relation modeled the sound speeds. Further, this work utilized the Jouyban–Acree model to represent the composition and temperature dependence of experimental densities and sound speeds of the studied binary and ternary mixtures. Finally, the ternary excess properties are compared with the predicted values from binary contribution symmetric (Kohler and Muggianu) and asymmetric (Hillert and Toop) geometric models. The accuracy of the theoretical and empirical models was assessed by computing various statistical indicators.