A theoretical investigation on the structures, densities, detonation properties and pyrolysis mechanism of the nitro derivatives of toluenes

Journal of Hazardous Materials

Volumn 177, Issue 1-3, 2010, Pages 703-710

  Wang, Guixiang ^a   Gong, Xuedong ^a   Liu, Yan ^a   Du, Hongchen ^a   Xu, Xiaojuan ^b   Xiao, Heming ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b YANCHENG TEACHERS UNIVERSITY   (China)

Author keywords

Density; Density functional theory; Detonation property; Pyrolysis mechanism; Sensitivity; The nitro derivatives of toluenes

Indexed keywords

BOND DISSOCIATION ENERGIES; DETONATION PRESSURE; DETONATION PROPERTIES; DETONATION PROPERTY; DETONATION VELOCITY; HEATS OF FORMATION; HIGH ENERGY DENSITIES; ISOMERIZATION REACTION; JACOBS EQUATION; LINEAR RELATIONSHIPS; METHYL GROUP; MOLECULAR GEOMETRIES; PYROLYSIS MECHANISM; SENSITIVITY; STRUCTURAL PARAMETER; THEORETICAL INVESTIGATIONS; THERMAL STABILITY; TITLE COMPOUNDS; TRANSFER REACTION;

ACTIVATION ENERGY; CHEMICAL BONDS; DETONATION; ELECTRONIC STRUCTURE; HYDROCARBONS; ISOMERIZATION; ORGANIC POLYMERS; PYROLYSIS; THERMOGRAVIMETRIC ANALYSIS; TOLUENE;

DENSITY FUNCTIONAL THEORY;

1,3 DIMETHYL 2,4 DINITROBENZENE; 1,3 DIMETHYL 2,4,6 TRINITROBENZENE; 1,3 DIMETHYL 4,6 DINITROBENZENE; 1,3,5 TRIMETHYL 2,4 DINITROBENZENE; 1,3,5 TRIMETHYL 2,4,6 TRINITROBENZENE; 2 NITROTOLUENE; 2,3,4 TRINITROTOLUENE; 2,4 DINITROTOLUENE; 2,6 DINITROTOLUENE; HYDROGEN; NITRO DERIVATIVE; TOLUENE DERIVATIVE; TRINITROTOLUENE; UNCLASSIFIED DRUG;

ACTIVATION ENERGY; DENSITY; PYROLYSIS; THEORETICAL STUDY; TOLUENE;

ARTICLE; CHEMICAL BOND; CHEMICAL PARAMETERS; CHEMICAL REACTION KINETICS; CHEMICAL STRUCTURE; DISSOCIATION; ISOMERIZATION; LINEAR SYSTEM; PRESSURE; PROTON TRANSPORT; PYROLYSIS; QUANTITATIVE ANALYSIS; THERMOSTABILITY;

EXPLOSIONS; EXPLOSIVE AGENTS; MODELS, THEORETICAL; MOLECULAR STRUCTURE; NITRO COMPOUNDS; TOLUENE; TRINITROTOLUENE;

EID: 77949569009     PISSN: 03043894     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2009.12.088     Document Type: Article

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