"Vapor-liquid" equilibrium measurements and modeling for the cyclohexane plus n-hexanoic acid binary system

To simulate cyclohexane to cyclohexanol oxidation reactors, the acquisition and modeling of vapor-liquid equilibria of the key components, under the process conditions, are essential. n-Hexanoic acid is a co-product of the reaction. Vapor-liquid equilibrium data are reported for the cyclohexane + n-hexanoic acid binary system at four temperatures: 413, 423,464 and 484K. All measurements have been carried out using an apparatus based on the "static-analytic" method, with two ROLSITM pneumatic capillary samplers. The generated data are successfully correlated using two equations of state, the Peng-Robinson (PR) and the Perturbed Chain Statistical Association Fluid Theory (PC-SAFT). Both models are capable of representing the experimental data, but the PC-SAFT EoS uses less binary interaction parameters. Crown Copyright (C) 2011 Published by Elsevier B.V. All rights reserved.