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2007 | Buch

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High Energy Density Materials

herausgegeben von: T. M. Klapötke

Verlag: Springer Berlin Heidelberg

Buchreihe : Structure and Bonding

Enthalten in: Springer Professional "Wirtschaft+Technik" , Springer Professional "Technik" , Springer Professional "Wirtschaft"

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Inhaltsverzeichnis

Frontmatter

FOX-7 (1,1-Diamino-2,2-dinitroethene)

Abstract

In this paper, the discovery and synthesis of the explosive 1,1-diamino-2,2-dinitroethene (FOX-7) are described, together with an account of its structural, spectroscopic, and explosive properties. The chemical reactivity of FOX-7 towards nucleophilic substitution (transamination), electrophilic substitution, and acid-base properties is explored, as is its thermal behavior (phase transformations and thermal decomposition). The molecular structure and physical properties of FOX-7 are compared with those of its three isomers (as yet unsynthesized), as derived by theoretical calculations. Finally, the physical properties of FOX-7 are compared to those of various energetic molecules that are structurally related to FOX-7.

Anthony J. Bellamy

Nitrogen-Rich Heterocycles

Abstract

Many advantages accrue from nitrogen-rich heterocyclic compounds compared to traditional molecular energetic compounds. Utilization of heterocyclic nitrogen-containing cations and anions in energetic salts gives rise to lower vapor pressures, higher heats of formation and higher densities. Additionally, smaller amounts of hydrogen and carbon contribute to a better oxygen balance than normally is found with their carbocyclic analogues. Nitrogen-rich compounds are promising high energetic materials that may be more acceptable than their alternatives for both industrial and military uses since a higher percentage of their decomposition products will be dinitrogen.

Rajendra P. Singh, Haixiang Gao, Dayal T. Meshri, Jean'ne M. Shreeve

New Nitrogen-Rich High Explosives

Abstract

The possibility of new high explosives based on nitrogen-rich tetrazole building blocks is discussed. The expected advantages include gaseous products, high heats of formation, high propulsive/expolosive power, high specific impulse, and high flame temperatures. In addition, these new explosives do not have the toxicity and environmental activity of currently used organo-nitro explosives. The synthesis and characteristics of a series of neutral tetrazole compounds are looked at as well as the neutral nitramine, dinitrobiuret.

Thomas M. Klapötke

Organic Difluoramine Derivatives

Abstract

This article reviews recent developments in synthesis and characterizations of organic difluoramine (NF₂) derivatives since the 1980s. Specific classes of chemical compounds are covered: cyclic difluoramino-nitramines, especially gem-bis(difluoramino)-substituted analogs of conventional nitramines; products from the relatively new transformation of electrophilic difluoramination; other classes of difluoramines such as polymers, plasticizers, and compounds not otherwise categorized. Also covered are aspects of other recently developed synthetic methodology to prepare compounds in this general class, as well as purely theoretical treatments of the chemistry and properties of this class.

Robert D. Chapman

Computational Aspects of Nitrogen-Rich HEDMs

Abstract

A variety of computational procedures used to predict properties of energetic materials is presented. These procedures, based on standard atomistic simulation methods, demonstrate the ability to predict key properties of these materials related to performance or hazard. Several applications of the various methods for nitrogen-rich materials are provided to illustrate capabilities. Also, an overview of theoretical efforts in computational design of novel all-nitrogen materials is given.

Betsy M. Rice, Edward F. C. Byrd, William D. Mattson

Sensitivities of High Energy Compounds

Abstract

The article presents a survey of the development trends in studies of sensitivity (initiation reactivity) of energetic materials (EMs) over the last nine years, focusing mainly on impact and shock sensitivities. Attention is given to the initiation by heat, laser, electrostatic discharge, impact and shock, including the influence of hydrostatic compression, crystal defects, molecular structure and desensitizing admixtures on the initiation reactivity. Problems of the initiation of nitromethane are examined with a special accent. It is stated that one of the best-developed theories for such studies is Dlott's Model of the Multiphonon Up-Pumping. Also significant is the model based on Non-Equilibrium Zeldovich–von Neuman–Döring theory. Very important are approaches devised by Politzer and Murray, updated by Price et al. as a hybrid model of prediction of the impact sensitivity of CHNO explosives. The physical organic chemistry approach to the sensitivity problem (POC model) is discussed with special emphasis. In this way it has been found that the electron structure and close neighborhood of the primarily leaving nitro group are dominant factors in the initiation by shock, electric spark and heat of polynitro compounds.

Svatopluk Zeman

Backmatter

Titel: High Energy Density Materials
herausgegeben von: T. M. Klapötke
Verlag: Springer Berlin Heidelberg
Electronic ISBN: 978-3-540-72202-1
Print ISBN: 978-3-540-72201-4
DOI: https://doi.org/10.1007/978-3-540-72202-1

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