Keshavarz M.H., Klapötke T.M. The Properties of Energetic Materials

Handbook. — Berlin, Walter de Gruyter GmbH & Co., 2018 — 193 p.
For a chemist who is concerned with the synthesis of new energetic compounds, it is essential to be able to assess physical and thermodynamic properties, as well as the sensitivity of possible new energetic compounds before synthesis is attempted. Various approaches have been developed to predict important aspects of the physical and thermodynamic properties of energetic materials including (but not exclusively): crystal density, heat of formation, melting point, enthalpy of fusion and enthalpy of sublimation of an organic energetic compound. Since an organic energetic material consists of metastable molecules capable of undergoing very rapid and highly exothermic reactions, many methods have been developed to estimate the sensitivity of an energetic compound with respect to detonation-causing external stimuli such as heat, friction, impact, shock, and electrostatic discharge. This book introduces these methods and demonstrates those methods which can be easily applied.Crystal density
Quantum mechanical approach
Empirical methods for the calculation of the crystal density of different classes of energetic materials
Empirical methods for the assessment of the crystal density of hazardous ionic molecular energetic materials using the molecular structuresHeat of formation
Condensed and gas phase heats of formation of energetic compounds
Energetic compounds with high nitrogen contentsMelting point
GAV, QSPR and quantum mechanical methods
Simple empirical methods on the basis of molecular structureEnthalpy and entropy of fusion
Different approaches for the prediction of the enthalpy of fusion
Different methods to predict the entropy of fusionHeat of sublimation
Quantum mechanical and complex approaches for predicting the heat of sublimation
The use of structural parametersImpact sensitivity
Complex methods
Simple methods on the basis of molecular structureElectric spark sensitivity
Measurement of electric spark sensitivity
Different methods for predicting electric spark sensitivity
Simple methods for predicting electrostatic spark sensitivity
Some aspects of predictive methodsShock sensitivity
Small-scale gap test
Large-scale gap testFriction sensitivityHeat sensitivity
Thermal kinetics correlations
Heat of decomposition and temperature of thermal decomposition
Deflagration temperatureRelationships between different sensitivities
Relationship between impact sensitivity of energetic compounds and activation energies of thermal decomposition
Relationship between electric spark sensitivity and impact sensitivity of nitroaromatics
Relationship between electric spark sensitivity and activation energy of the thermal decomposition of nitramines
Correlation of the electrostatic sensitivity and activation energies for the thermal decomposition of nitroaromatics
Relationship between the activation energy of thermolysis and friction sensitivity of cyclic and acyclic nitraminesProblems

Answers to Problems

List of symbols

A Glossary of compound names and heats of formation for pure as well as composite explosives

B Calculation of the gas phase standard enthalpies of formation

Index