New energetic materials

In the last several decades, the major advances in energetic materials have been the development of energetic polymers and a number of mono-molecular energetic compounds which do not fit neatly into the above categories [64]. These are in various stages of development, and it is difficult to predict which will become useful explosives or propellants. One unusual mixed functionality species is 1,1-diamino-2,2-dinitroethylene (FOX-7 or DADNE) (Fig. 11). It was synthesized in 1998, and several 

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Energetic materials with strained or caged structures are often much more difficult to synthesize compared to their open chain counterparts. This presents a further challenge to researchers of new energetic materials - while new compounds can be synthesized on a laboratory scale, and their properties and performance tested, the complexity of the synthetic routes may render their use as explosives nonfeasible. This particularly applies to polynitropolycyclic hydrocarbons because the direct nitration of these hydrocarbons is not a feasible route of introducing nitro groups without considerable decomposition. 

R. L. Wilier, Synthesis of a New Energetic Material, 1,4,5,8-Tetranitro-l,4,5,8-tetraazad-ifurano[3,4-c][3,4-h]decalin (CL-15) , NWCTP 6397 (1982), Naval Weapons Center, China Lake, CA. 

Many energetic componnds have been reported where the azido group is in conjunction with another explosophore . This has been a popular approach to new energetic materials. 2-Azidoethyl nitrate, an explosive resembling nitroglycerine (NG) in its properties, was synthesized some time ago from the reaction of 2-chloroethanol with sodium azide followed by G-nitration of the product, 2-azidoethanol, with nitric acid. °... 

Krause, H.H. (2005) New Energetic Materials, in Energetic Materials Particle Processing and Characterization (ed. U. Teipel), Wiley-VCH Verlag GmbH, Weinheim, Germany, Ch. 1, pp 1-25. 

NTO [5-nitro-l,2,4-triazole-3-one (C2H2N403)] (2.18) is a new energetic material with attractive characteristics and high performance. It has a high heat of reaction and is less sensitive and more stable than RDX. 

R.S. Miller "Research on New Energetic Materials" in MRS Decomposition, Combustion, Detonation Chemistry of Energetic Materials, Brill, Russell, Tao, Wardle (eds.), 1996. 

Bergman, H Edvinsson, H Ostmark, H. Hahma, A. Janzon, B. Trends and development of New Energetic Materials, http //www.verkstaderna.se/mtt/pdf/200102/energetic%20materials.pdf. 

Summary and Challenges. Because of the expense, labor, time requirements and possible danger (both to personnel and the environment) of synthesizing new energetic materials, it is important to pre-select only materials which have the potential for substantially better performance than compounds currently in use. In this chapter, our procedures for crystal structure (and density) prediction were detailed. Crystal structure prediction provides an entry into other important areas such as sensitivity and crystal habit. 

According to J. P. Agrawal, new energetic materials with high thermal stabilities can be achieved by incorporating the following points in the compounds ... 

The chemist N. Latypov of the Swedish defense agency FOI developed and synthesized two other new energetic materials. These two compounds have become known as FOX-7 and FOX-12 (Fig. 1.9, a). FOX-7 or DADNE (diamino dinitro ethene) is the covalent molecule l,l-diamino-2,2-dinitro ethene (02N)2C=C(NH2)2. The synthesis of FOX-7 always includes several reaction steps. Two alternative ways to prepare FOX-7 are shown in Figure 1.9 (b). FOX-12 or GUDN (guanylurea dinitramide) is the dinitramide of guanylurea [H2N—C(=NH2)—NH—C(O)—NH2]+[N(N02)2]. ... 

The thermodynamic data as well as the detonation parameters can nowadays be very reliably obtained by using quantum-mechanical computer calculations. On the one hand it is important to check experimental results, and on the other hand and even more importantly - it is important to predict the properties of potential new energetic materials without any prior experimental parameters, for example during the planning of synthetic work. Moreover, such computational methods are ideal for the estimation of the detonation parameters of newly synthesized compounds, which have not been obtained in the 50 100 g quantities which are necessary for the experimental determination of such detonation parameters (e.g. detonation velocity). 

If new energetic materials are synthesized in a research laboratory and are sent to other institutes for further analysis, various stability tests have to be carried out, so that the materials can initially be classified (IHC, interim hazard classification) as being at least hazard class 1.1 D (see Ch. 6.1). The requirements to pass the necessary tests (UN 3a-UN 3d) are summarized in Table 6.6. A positive test results (+) means that the substance did not pass the test. 

A chemical research laboratory is different from an industrial production facility for many reasons. First of all, only much smaller quantities of energetic materials are handled in a chemical research laboratory and secondly, during research, the properties of new, energetic materials are not known and therefore particular care must be taken. One of the most important safety rules can be worked out from the rule of thumb , which relates the distance D (in m), which offers a chance of survival, to the mass w (in kg) of the explosive. For a typical secondary explosive at large distances, the proportionality constant is approximately 2 ... 

With regards to research into new energetic materials, a rule of thumb is that all synthetic attempts should first of all be carried out in 250 mg quantities while various sensitivity data is obtained (impact, friction and electrostatic sensitivity, thermal stability). Only when all of these values are known, can increasing the synthesis to 1 g be considered (only if the properties are suitable). Later, increasing it to 5 and perhaps eventually to 10 g quantities could be possible depending on... 

Bunte, G., Pontius, H. and Kaiser, M. (1999). Analytical characterization of impurities in new energetic materials. PropelL Explos. PyroL, 24, 149-55. [282]... 

Miller R.S., Research on New Energetic Materials, MRS Research Society Synqiosium Proceedings -Deconqiosition, Combustion and Detonation Chemistry of Energetic Materials, Nov. 27-30, 1995, page 3, Editors T.B. Brill, T.P. Russell, W.C. Tao and R. B. Wardle. 

Bottaro J (2005) Ideas to Expand Thinking About New Energetic Materials. In Shaw RW, Brill TB, Thompson DL (eds) Adv Ser Phys Chem, vol 16. World Scientific,... 

Simpson RL, Urtiew PA, OrneUas DL, Moody GL, Scribner KS, Hofman DM (1997) PropeU Explos Pyrotech 22 249-255 and references cited therein Krause HH (2005) New Energetic Materials. In Teipal U (ed) Energetic Materials. Wiley, Weinheim, Germany... 

One of the major goals of explosives research currently is to develop compositions which are at the same time more powerful and less hazardous. We would expect such compositions to incorporate new energetic materials perhaps new explosives molecules, certainly new... 

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