Reaction Network and Byproduct Formation in Ethylene Oxychlorination on K-Doped CuCl₂/γ-Al₂O₃ Catalyst

A comprehensive reaction network was established on the K-doped CuCl2/γ-Al2O3 catalyst. This network serves to enhance the comprehension of the intricate dynamics involved in the process of ethylene oxychlorination. The developed reaction network encompasses 13 distinct chemical reactions, each contributing to the evolution of 12 different species. Among these, 7 byproducts are identified: ethyl chloride (EC, C2H5Cl), vinyl chloride monomer (VCM, C2H3Cl), 1,2-dichloroethylene (DCE, C2H2Cl2), 1,1,2-trichloroethane (TCA, C2H3Cl3), carbon tetrachloride (CCl4), carbon monoxide (CO), and carbon dioxide (CO2). This extensive reaction network serves as an invaluable guide to navigate the intricate landscape of ethylene oxychlorination. It is worth highlighting the interdependence between the formation of ethylene dichloride (EDC) and the diverse array of byproducts. This intricate web of reactions is influenced by a multitude of factors, encompassing the unique conditions within the reaction, the inherent properties of the catalyst, and the concentrations of various species engaged in the process. It not only paves the way for improving EDC selectivity by curbing the production of unwanted byproducts but also provides the necessary insights for the precise adjustment of catalyst design and optimization of reaction conditions.