Cms Polychlorinated Reactor Computer Simulation Study

With ASPEN Plus as software tool, a steady-state simulation model was set up for 2 industrial reactors of multi-chlorination in CMS process. Based on the data from the real chemical plant productions, 3 key model parameters - the macroscopic relative rate constants of 3 serial reactions were respectively regressed. The results are as follows: for R801 at around 120 # ki' = {I, 0.2437,0.04825}; for 2R801 at around 120#, ki' = {1, 0.09437, 0.01863}; for 2R801 at around 105#, ki'= {1,0.336,0.0646}.By sensitivity analysis with the model on various feed conditions, the optimum feed ratio range of Cl2/CH3Cl was found as 1.0 ~ 1.5 for producing more CHCl3 and less CCl4; and the optimum pressure range was determined as 2.6 - 2.8 MPa for effective utilization of Cl2.Based on the above results, a simplified calculating model was set up and corresponding program was designed. The simplified program works without the presence of Aspen Plus software, which made it more convenient for the factory engineers to use in the production field..The simulation results of both models were well consistent with the factory data, which shows that the models have possessed applicability.