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Thermochemistry of chlorine-containing hydrocarbons related to waste combustion

✍ Scribed by Alexander Burcat; Lavrent Khachatryan; Barry Dellinger

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
118 KB
Volume
41
Category
Article
ISSN
0538-8066

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✦ Synopsis

Abstract

The thermochemistry of 25 chlorinated compounds potentially involved in chemical reactions related to waste combustion has been calculated using ab initio methods. Some of these species have never been reported in the literature. To check the validity of our calculations, 11 additional brominated analogues were also calculated. The thermochemical properties of these compounds were used in reaction kinetic models designed to estimate the performance of waste incinerators. © 2008 Wiley Periodicals, Inc. Int J Chem Kinet 41: 113–122, 2009

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