Date of Award

Spring 1992

Document Type

Thesis

Degree Name

Master of Science in Environmental Science - (M.S.)

Department

Chemical Engineering, Chemistry and Environmental Science

First Advisor

Joseph W. Bozzelli

Second Advisor

Barbara B. Kebbekus

Third Advisor

S. Mitra

Abstract

The thermal reaction experiments of chlorobenzene decomposition were carried out in a tubular flow reactor in hydrogen and oxygen mixtures ranged from 1% to 5% at one atmosphere total pressure. Experiment temperatures were varied over a range of 590--640°C. Residence times ranged from 0.3 to 2.0 seconds.

It was found that the decomposition of chlorobenzene increased with both temperature and residence time. The oxidation of chlorobenzene occurred more rapidly when oxygen concentration was increased. 95% decomposition of chlorobenzene occurred at 620°C, O2/H2 = 5%, and two seconds residence time.

The major products were benzene and HCl, and the minor products were CH4, C2H4, C2H6, CO, and CO2. Toluene and C2H2 were observed in several experimental conditions.

A kinetic reaction mechanism which included 220 elementary reactions was developed and modified by adding mechanism important to benzene oxidation reactions. In the 600°C to 630°C temperature range, the model predictions of chlorobenzene decomposition and benzene formation at one second residence time and 1% to 5% oxygen and hydrogen ratio showed significant agreement with experiment data.

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