Pyrolysis and oxidation reaction of 1,2, dichloroethylene in Ar; Ar and CH4; Ar, CH4 and O2 mixtures
Department of Chemical Engineering, Chemistry and Environmental Science
Master of Science
Bozzelli, Joseph W.
Trattner, Richard B.
Krasnoperov, Lev N.
The thermal reaction of trans-1,2-dichloroethylene (DCEE) in methane and oxygen mixtures in Ar bath gas has been studied in 10.5 mm I.D. tubular flow quartz reactors at I atmosphere pressure, isothermal temperature between 575°C and 1000°C, and times of 0.3 to 2.0 seconds.
The thermal reaction of trans-1,2-dichloroethylene in the gas phase proceeds via unimolecular HCI elimination under the reaction condition of the present experiments. The chain branching C-Cl bond fission reaction is expected to become important at the higher temperature, competing With the HCI elimination.
The decay trans- 1,2- dichloroethylene, intermediates and final product distributions varied in the absence and presence of added O2 and/or CH4. Increase in O2 concentration was observed to accelerate reagent loss in the DCEE/CH4/O2 system, especially the fuel lean and stoichiometric systems relative to the DCEE/CH4 system. Major products were C2H2, HCCCl, CH2CHCl, CH2CCl2, C6H6, CO, CO2, and HCl in the DCEE/CH4/O2 over a wide temperature range. Minor products were C2H4, CH2Cl, CH2O2, C2O2, CH3CCl3, C6H5Cl, C6H5CH3.
The extensive experimental data set will be utilized for construction and validation of a mechanism consisting of elementary reactions based on thermochemical principles, Transition State Theory and Quantum Rice-Ramsperger-Kassel (QRRK) analysis.
njit-etd1994-021 (121 pages ~ 6,028 KB pdf)
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Created April 19, 2002