Mathematical modelling of the decomposition of explosives

被引：4
|
作者：
Smirnov, L. P. [1 ]
机构：
[1] Russian Acad Sci, Inst Problems Chem Phys, Chernogolovka 142432, Moscow Region, Russia
来源：
RUSSIAN CHEMICAL REVIEWS | 2010年 / 79卷 / 05期
关键词：
FUNCTIONAL THEORY PREDICTIONS; POTENTIAL-ENERGY SURFACE; GAS-PHASE STRUCTURE; AB-INITIO; THERMAL-DECOMPOSITION; UNIMOLECULAR DECOMPOSITION; MOLECULAR-DYNAMICS; NITRO-COMPOUNDS; MECHANISM; RDX;
D O I：
10.1070/RC2010v079n05ABEH004133
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Studies on mathematical modelling of the molecular and supramolecular structures of explosives and the elementary steps and overall processes of their decomposition are analyzed. Investigations on the modelling of combustion and detonation taking into account the decomposition of explosives are also considered. It is shown that solution of problems related to the decomposition kinetics of explosives requires the use of a complex strategy based on the methods and concepts of chemical physics, solid state physics and theoretical chemistry instead of empirical approach. The bibliography includes 168 references.
引用
收藏
页码：421 / 437
页数：17
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