Abstract
Binary mixtures of 1-alkanols and ethylbenzene, dimethylbenzenes or trimethylbenzenes have been studied in the framework of the DISQUAC model. The interaction parameters for the hydroxyl/aromatic contacts are reported. DISQUAC represents well a set of thermodynamic properties: vapor-liquid equilibria (VLE), liquid–liquid equilibria (LLE), molar excess enthalpies ( H E) and the concentration–concentration structure factor ( S CC(0)). The model predicts correctly H E of 1-alkanol + 1,4-dimethylbenzene + cyclohexane systems using binary parameters only, that is neglecting ternary interactions. The available database on H E and molar excess volume ( V E) is examined in order to gain insight into the interactions present in the studied mixtures: (i) dipolar interactions are stronger in systems with benzene; (ii) interactions between unlike molecules decrease with the increase of the chain length of the 1-alkanol for solutions with a given aromatic hydrocarbon; (iii) self-association of 1-alkanols is more important in systems with alkylbenzenes than in those including benzene; (iv) benzene is a more active molecule than other aromatic compounds when breaking the alcohol structure.
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