پديد آورندگان :
Mousavipour S.H. نويسنده , Saheb V. نويسنده , Pirhadi F. نويسنده , Dehbozorgi M.R. نويسنده
چكيده لاتين :
The kinetics and mechanism for the thermal decomposition of 1,2-dichloroethane (EDC) was studied in a flow system over the
temperature range of 849-1064 K and pressure range of 10-300 Torr under homogeneous conditions in a tubular quartz reactor.
Gas chromatography was used to measure the concentration of products. Four-center HCl elimination was found to be the most
important channel in this system. Minor products such as methane, ethylene, acetylene, chloroethane, and chloroprene were
identified. Ab initio calculations at the DFT, CASMP2, and QCISD(T) levels of theory were carried out to investigate the
mechanism of this system and to calculate necessary parameters to compute the rate constants of different steps. Dependence of
formation of vinyl chloride on the total pressure is measured, experimentally.
