Abstract
Mixtures formed by linear alkanoates and CHCl3 or 1,1,2,2-tetrachloroethane, which show strongly negative deviations from the Raoult's law, have been studied in the framework of the dispersive–quasichemical (DISQUAC) model. Systems involving CH2Cl2; CCl4, Cl3C–CH3 or ClCH2–CH2Cl have also been briefly considered in order to carry out a more complete study. The corresponding interaction parameters are reported. As in other previous applications, the first (Gibbs energy) and third (heat capacity) quasichemical interaction parameters do not depend on the mixture components. DISQUAC represents fairly well vapor–liquid equilibria, VLE, and molar excess enthalpies, H E, of the systems considered. VLE of the methyl ethanoate + CHCl3 + benzene mixture is also well described by the model neglecting ternary interactions. UNIFAC (universal functional activity coefficient) fails when representing H E of systems containing very long alkanoates. The mixture structure is investigated using the concentration–concentration structure factor, S CC(0). Heterocoordination is prevalent even at very high temperatures.
Published Version
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