Prediction of Vapor-Liquid Equilibria of Alcohol-Hydrocarbon Systems by 1H NMR and Azeotropic Point

With the energy parameters obtained from 1H nuclear magnetic resonance (NMR) chemical shifts data by local composition model and coupled with azeotropic point, the low-pressure vapor-liquid equilibrium is satisfactorily predicted for alcohol + hexane, alcohol + cyclohexane, and alcohol + benzene binary systems at different temperatures. The relationship between the spectroscopic information and thermodynamic property is presented.