Phenomenological‐based kinetics modelling of dehydrogenation of ethylbenzene to styrene over a Mg₃Fe_0.25Mn_0.25Al_0.5 hydrotalcite catalyst

Abstract

This communication reports a mechanism‐based kinetics modelling for the dehydrogenation of ethylbenzene to styrene (ST) using Mg3Fe0.25Mn0.25Al0.5 catalyst. Physicochemical characterisation of the catalyst indicates that the presence of basic sites Mg2+O2− on the catalysts along with Fe3+ is responsible for the catalytic activity. The kinetics experiments are developed using a CREC Fluidised Riser Simulator. Based on the experimental observations and the possible mechanism of the various elementary steps, Langmuir–Hinshelwood type kinetics model are developed. To take into account of the possible catalyst deactivation a reactant conversion‐based deactivation function is also introduced into the model. Parameters are estimated by fitting of the experimental data implemented in MATLAB. Results show that one site type Langmuir–Hinshelwood model appropriately describes the experimental data, with adequate statistical fitting indicators and also satisfied the thermodynamic restraints. The estimated heat of adsorptions of EB (64 kJ/mole) is comparable to the values available in the literature. The activation energy for the formation of ST (85.5 kJ/mole) found to be significantly lower than that of the cracking product benzene (136.6 kJ/mole). These results are highly desirable in order to achieve high selectivity of the desired product ST. © 2012 Canadian Society for Chemical Engineering

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