1,2 Dichloroethane의 열분해에 대한 수치해석

Numerical Simulations of the Pyrolysis of 1,2 Dichloroethane

Numerical simulations of 1,2 dichloroethane(EDC) pyrolysis are conducted to understand the process on the production of the vinyl chloride monomer(VCM) and by-products. A chemical kinetic mechanism is developed, the adopted scheme involving 44 gas-phase species and 260 elementary forward and backward reactions. Detailed sensitivity analyses and the rates of production analysis are performed on each of the reactions and the various species, respectively. The concentrations of EDC, VCM, and HCI predicted by this mechanism are in good agreement with those deduced from experiments of commercial and laboratory scale. The mechanism is found to accurately predict the VCM yield and the production of by-products by varying the ranges of pyrolysis temperature, residence time, and pressure which impact on the pyrolysis of 1,2 dichloroethane. The influence of reactions related to H atom on the relative sensitivity of EDC becomes important as the residence time increases. The pyrolysis of EDC mainly occurs through $C_{2}H_{4}Cl_{2}+Cl=CH_{2}ClCHCl$.