OVERVIEWS OF RECENT RESEARCH ON ENERGETIC MATERIALS

CONTENTS......Page 20
Introduction......Page 8
Preface: ENERGETIC MOLECULES ENERGETIC MATERIALS......Page 10
1. Introduction......Page 22
2. Diagnostic Approaches......Page 23
3. Timescale Temperature and Pressure......Page 26
4. Decomposition Behavior and the Parent Compound......Page 31
5. Combustion Behavior and the Parent Compound......Page 34
6. Explosive Behavior and the Parent Material......Page 42
References......Page 46
2. Thermal Decomposition Processes of Energetic Materials in the Condensed Phase at Low and Moderate Temperatures......Page 50
1. Introduction......Page 51
2. Reactive Processes: Experimental Methods......Page 56
3. Condensed-Phase Reactive Processes......Page 67
4. Reaction Kinetics......Page 85
5. Conclusions and Future Research......Page 88
References......Page 91
1. Introduction......Page 96
2. Experimental Techniques......Page 98
3. Validating the Method of Probing Flames with Narrow Combustion Zones......Page 102
4. Flame Structure of AP and AP-Based Composite Propellants......Page 104
5. RDX and HMX Flame Structure......Page 109
6. Flame Structure of ADN and ADN-Based Propellants......Page 112
7. Conclusions......Page 118
References......Page 119
4. Optical Spectroscopic Measurements of Energetic Material Flame Structure......Page 124
1. Propellant Combustion Environment......Page 125
2. Optical Spectroscopic Techniques Applied......Page 129
3. Neat Nitramines......Page 134
4. Homogeneous Nitramine Propellants......Page 140
5. Ammonium Perchlorate (AP)......Page 141
6. Summary......Page 144
References......Page 147
5. Transient Gas-Phase Intermediates in the Decomposition of Energetic Materials......Page 150
2. Expected Intermediates and their Role in Energetic Materials Combustion......Page 151
3. Detection of Intermediates......Page 154
4. Current Status Report......Page 160
5. Conclusion and Prospects for Future Work......Page 175
References......Page 176
1. Introduction......Page 182
3. Collision-Free Studies of Energetic Materials......Page 191
4. Results and Discussion......Page 197
5. Conclusions and Future Work......Page 207
References......Page 208
7. Gas-Phase Kinetics for Propellant Combustion Modeling: Requirements and Experiments......Page 212
1. Introduction......Page 213
2. Propellant Models and their Gas-Phase Chemistry Inputs......Page 216
3. Experimental Input Data......Page 239
4. Conclusions......Page 254
References......Page 255
1. Introduction......Page 262
2. Theoretical Methods......Page 265
3. The Chemistry......Page 273
4. Concluding Remarks......Page 290
References......Page 292
1. Introduction......Page 296
2. Chemical Equilibrium......Page 299
3. Atomistic Modeling of Condensed-Phase Reactions......Page 308
4. Conclusions......Page 318
References......Page 319
1. Introduction......Page 324
2. Theory of Up-Pumping......Page 326
3. Up-Pumping in Experiments and Simulations......Page 335
4. Up-Pumping in Low Velocity Impact Initiation......Page 341
5. Up-Pumping in Shock Initiation and Detonation......Page 344
6. Summary and Conclusions......Page 347
References......Page 350
1. Introduction......Page 356
2. Theoretical Chemistry Methods Used in Energetic Materials Research......Page 357
3. Quantum Mechanical Calculations......Page 360
4. Classical Molecular Simulation......Page 373
References......Page 384
12. Combustion and Ignition of Nitramine Propellants: Aspects of Modeling Simulation and Analysis......Page 390
1. Nomenclature......Page 391
2. Introduction......Page 392
3. Description of Combustion-Wave Structures......Page 398
4. Theoretical Formulation......Page 402
5. Numerical Method......Page 411
6. Discussion of Model Results......Page 412
7. Concluding Remarks......Page 433
References......Page 434
13. Burning-Rate Models and Their Successors A Personal Perspective......Page 440
1. Introduction......Page 441
2. Phenomena......Page 442
3. Concepts......Page 444
4. Models......Page 454
5. Challenges and Opportunities......Page 480
6. Conclusions......Page 488
References......Page 490
1. Fundamentals of Molecular Design......Page 494
2. Successes of the Past......Page 496
3. Exotic Ideas for the Future......Page 509
4. Concluding Remark......Page 521
References......Page 522
Index......Page 524