Simulation of the effects of CCl4 on the ethylene dichloride pyrolysis process

Modeling of the ethylene dichloride (EDC) pyrolysis reaction was performed with respect to 108 reversible elementary reactions with 47 molecular and r adical species. Kinetic schemes and reaction pathways have been developed b ased on thermochemical kinetic theories, such as thermal decomposition of m olecules and radical-chain reactions, especially the abstraction of H by a Cl radical. In particular, mass, energy, and momentum conservation equation s in a gasphase plug reactor were solved simultaneously with the establishe d reaction mechanisms using a numerical scheme for stiff ordinary different ial equations. Because of the characteristics of Cl-catalyzed reaction mech anisms, Cl suppliers play key roles in promoting the reaction conversion. T his study reports on the calculation and analysis of the effects Of CCl4, a s a promotor, on the process conversion to vinyl chloride monomer, concentr ation of the coking precursor, changes in the heat required, and the pressu re drop. The study addresses quantitatively and qualitatively the reaction mechanisms for the pyrolysis of EDC and the predicted results from the calc ulation. Simulation results are in good agreement with commercial plant dat a and, as a result, they should be useful for modifying and optimizing the EDC pyrolysis process.