Reactor Simulation And Operating Conditions Optimization Of Reactor For Phenol Hydrogenation

As an important chemical raw material,cyclohexanone has been widely used in chemical industry and other fields.With the continuous development of China's chemical industry,the significance of developing phenol hydrogenation process and reactor gradually appear.Through the analysis of the mechanism of phenol hydrogenation,a double-equation hyperbolic kinetics model was established.By using the maximum inheritance method,the kinetic model parameters were also obtained.Through the analysis of phenol hydrogenation reaction system,the reaction of phenol hydrogenation to cyclohexanone and the hydrogenation of cyclohexanone to cyclohexanol were selected as independent reactions.The products cyclohexanone and cyclohexanol were chosen as key components.One-dimensional mathematical model of a heat-exchange tube fixed-bed reactor was built.Using Runge-Kutta method in Matlab to solve differential equations of the model.When feed gas feed flow rate of single tube is 200mol/s,operating pressure is 0.2MPa,the molar fraction of each component are as follows:C6H5OH-0.1370,H2-0.7670,C6H10O-0.0000,C6H12O-0.0000,Ar-0.097,temperature of coolant is 180?,the outlet temperature of the reaction mass was 180? and the conversion of phenol was 95.7%.The results of the pre-experimental data are almost the same,which means this model can truly reflect the reaction within the reactor.Based on the one-dimensional pseudo-homogeneous mathematical model of phenol hydrogenation reaction system,the influence of various process conditions on the reaction was investigated.The results show that the higher the feedstock gas feed rate is,the more the reaction equilibrium point is shifted backwards;the higher the feed temperature is,the more severe the phenol hydrogenation reaction proceeds,and the selectivity of cyclohexanone rises significantly;The larger the mole ratio of H2/phenol is,the phenol reaction is more complete.The higher the operating pressure is,the more favorable the phenol hydrogenation reaction.However,if the temperature is too high,the hot spot temperature would be too high.Higher temperature of the heating medium is favorable to maintain reaction temperature,but it will reduce the selectivity of cyclohexanone to some extent.