Thermodynamic Analysis on Alkylation Reaction ofBenzene and Methanol
1. Research Institute of Petrochemical Company, Urumqi 830019, China;
2. School of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China
Abstract：The process of alkylation reaction of benzene and methanol was studied thermodynamically based on functional group contribution method of Benson, and the reaction heat, Gibbs energy and equilibrium constant about major and minor reactions were calculated. This work provides the thermodynamic ground for the technological design of this system and catalyst research. The results showed that four major reactions of alkylation of benzene and methanol are exothermic and entropy-increase, while minor reactions are entropy-decrease. Four major reactions proceed spontaneously under 633-773 K because their Gibbs energy are all less than zero. These four major reactions are all irreversible and their equilibrium constant keep almost the same. The by-products of alkylation of benzene and methanol are mainly 1,2,3-trimethylbenzene and 1,3,5-trimethylbenzene. Higher temperature was found to restrain the formation of by-products.
