Y. Wu, Y. Won
Aug 1, 2000
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Influential Citations
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Journal
Combustion and Flame
Abstract
Abstract The four chlorinated methanes—methyl chloride, methylene chloride, chloroform, and carbon tetrachloride—were used as models of chlorocarbons with Cl/H ratios of 0.0196 to 0.083 to investigate their thermal stability and hydrodechlorination in excess hydrogen. The reactions were studied in an isothermal tubular reactor at a total pressure of 1 atm with residence times of 0.3–2.0 s between 525 and 900°C. The thermal stability, i.e., the temperature for 99% destruction after 1 s of reaction time was obtained as 875°C for CH 3 Cl, 780°C for CH 2 Cl 2 , 675°C for CHCl 3 , and 635°C for CCl 4 . The number and quantities of intermediate chlorinated products decreased with increasing temperature; the formation of nonchlorinated hydrocarbons (CH 4 , C 2 H 4 , and C 2 H 6 ) increased with temperature. The less chlorinated products were more stable and methyl chloride was the most stable chlorinated methane in these reaction systems. Modeling used a detailed chemical mechanism involving 58 species and 289 elementary reactions; the results are compared with experimental observations. Sensitivity analyses were also performed to rank the significance of each reaction in the mechanism.