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Chemistry for Sustainable Development

2017 year, number 2

Development of a Transalkylation Reactor Model to Increase the Energy and Resource Efficiency of Ethylbenzene Production

S. A. KOSHKIN1,2, I. O. DOLGANOVA2, and E. N. IVASHKINA2
1Research Organization SIBUR-Tomskneftekhim Ltd, Tomsk, Russia
2Tomsk Polytechnic University, Tomsk, Russia
Keywords: ethylbenzene, alkylation, transalkylation, mathematical model
Pages: 213-220

Abstract

An approach was disclosed to the development of mathematical models of industrial processes using quantum chemical calculation methods of thermodynamic parameters of target and side reactions in combination with experimental data analysis of the operation of an industrial transalkylation process that is one of the preparation stages of ethylbenzene. A scheme of transformations in the transalkylation process was elaborated, thermodynamic parameters of target and side reactions were determined, a kinetic model was compiled and its parameters defined. Adequacy of a model implemented in the HYSYS medium was tested resulting from comparison with industrial data. Application prospects of the developed mathematical model for the transalkylation process to increase energy and resource efficiency of ethylbenzene production were noted from the viewpoint of an increase in process selectivity and minimization of costs on developing a given quantity of the products.