A detailed chemical kinetic model for gas phase combustion of TNT

被引：16
作者：
Pitz, William J. [1 ]
Westbrook, Charles K. [1 ]
机构：
[1] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA
来源：
PROCEEDINGS OF THE COMBUSTION INSTITUTE | 2007年 / 31卷
关键词：
TNT; kinetics; modeling; explosives;
D O I：
10.1016/j.proci.2006.08.061
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
A detailed chemical kinetic mechanism for gas phase combustion of 2,4,6-tri-nitrotoluene (TNT) has been developed to explore problems of explosive performance and of soot formation during the destruction of munitions. Thermodynamic properties of intermediate and radical species are estimated by group additivity. Reactions for the decomposition and oxidation of TNT and its intermediate products are assembled, based on information from the literature and from analogous reactions where the rate constants are available. The resulting detailed reaction mechanism for TNT is added to existing reaction mechanisms for RDX and for hydrocarbons which can be produced from TNT and RDX. Properties of the reaction mechanism are demonstrated by examining problems of soot formation during open burning of TNT and mixtures of TNT and RDX. Computed results show how addition of oxygen to TNT can reduce the amounts of soot formed in its combustion and why RDX and most mixtures of RDX and TNT do not produce soot during their combustion or incineration. (C) 2006 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
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页码：2343 / 2351
页数：9
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