Preface ....................................................... vii
1 Introduction: Thermophysical Properties of Explosive
Materials .................................................... 1
Veera M. Boddu and Paul Redner
2 The History, Chemistry, and Physics of Energetic Materials ... 7
Paul Redner
3 Physical Property Prediction of Energetic Materials from
Molecular Dynamics Simulation ............................... 37
N. Sokkalingam, M.H. Ketko, and J.J. Potoff
4 Predicting the Solvation Free Energy of l,3,5-Triamino-2,4,
6-Trinitrobenzene (TATB) in Organic Solvents ................ 63
John L. Lewin, Neeraj Rai, Katie A. Maerzke, Divesh Bhatt,
J. Ilja Siepmann, Amitesh Maiti, and Laurence E. Fried
5 Prediction of Physicochemical Properties of Energetic
Materials via EPI Suite ..................................... 77
Siri Chakka, Veera M. Boddu, Stephen W. Maloney, and Reddy
Damavarapu
6 Mechanisms and Kinetics of CL-20 Modes of Transformation
via Alkali Hydrolysis and via Photolysis and Thermolysis
Free Radical Reactions ...................................... 93
Mohammad Qasim, Yana Kholod, Sergiy Okovytyy, Olexandr
Isayev, Leonid Gorb, Veera M. Boddu, and Jerzy Leszczynski
7 Ignition of Metal Powder by Electrostatic Discharge ........ 107
Ervin Beloni and Edward L. Dreizin
8 Physicochemical Property Measurements on Insensitive
Munitions Compounds for Environmental Applications ......... 139
Veera M. Boddu, Krishnaiah Abburi, Stephen W. Maloney,
and Reddy Damavarapu
9 Group Contribution Techniques: Predicting the Properties
of Energetic Chemicals ..................................... 161
Kevin G. Joback
10 Prediction of Physicochemical Properties of Energetic
Materials .................................................. 171
R.K. Toghiani, H. Toghiani, S.W. Maloney, and V.M. Boddu
11 Solubility of RDX, HMX, and ε-CL20 in Supercritical
Carbon Dioxide ............................................. 199
R.K. Toghiani and H. Toghiani, S.W. Maloney and V. Boddu
12 Combustion Behavior of Nanoenergetic Material Systems ...... 221
Rajagopalan Thiruvengadathan, Andrey Bezmelnitsyn,
Steven J. Apperson, Daniel Tappmeyer, Paul Redner, Wendy
A. Balas, Steven Nicolich, Deepak Kapoor, Keshab
Gangopadhyay, and Shubhra Gangopadhyay
Index ......................................................... 263
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