“Vapor–liquid” equilibrium measurements and modeling for the cyclohexane + cyclohexanol binary system

To simulate cyclohexane oxidation reactors using a dynamic model linking kinetics, thermodynamics and hydrodynamics, the acquisition and modeling of vapor–liquid equilibria of the key components, under the process conditions, are essential. In this work, the vapor–liquid equilibria of the cyclohexan...

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Bibliographic Details
Published in:Fluid phase equilibria 2010-11, Vol.298 (1), p.33-37
Main Authors: Coquelet, Christophe, Soo, Chien-Bin, Valtz, Alain, Richon, Dominique, Amoros, Daniel, Gayet, Hubert
Format: Article
Language:English
Subjects:
Chemical and Process Engineering
Chemistry
Computational fluid dynamics
Computer simulation
Correlation
Cyclohexane
Cyclohexanol
Dynamical systems
Engineering Sciences
Equation of states
Exact sciences and technology
Fluid flow
Fluids
General and physical chemistry
High-pressure
Hydrodynamics
Liquid-vapor equilibria
Phase equilibria
Representations
Static-analytic
“Vapor–liquid” equilibrium data
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Summary:To simulate cyclohexane oxidation reactors using a dynamic model linking kinetics, thermodynamics and hydrodynamics, the acquisition and modeling of vapor–liquid equilibria of the key components, under the process conditions, are essential. In this work, the vapor–liquid equilibria of the cyclohexane + cyclohexanol system were determined at temperatures 424, 444, 464 and 484 K. The measurements were carried out using an apparatus based on the “static-analytic” method, with two ROLSI™ 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). A comparison of model performances reveals the former being better in data representation, while the latter has a broader applicability over larger range of temperatures.
ISSN:0378-3812
1879-0224
DOI:10.1016/j.fluid.2010.06.013