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Recent Advances in the Study of the Initiation of Nitramines by Impact Using Their 15N NMR Chemical Shifts

Treść / Zawartość
Identyfikatory
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
The relationship between the 15N NMR chemical shifts of aza nitrogen atoms in twelve nitramines and the impact sensitivity of these compounds, expressed as the drop energy, Edr, has been analyzed from the point of view of recently published findings. This relationship appears to be the best method for identifying the key atoms at the reaction centre of a given molecule. These atoms might be taken as “chemical hot spots”. The absence of any solid state influence on the chemical shifts, which were here determined in solution, does not have a fundamental influence on the reaction centre identification. The relationship discussed here confirms the close molecular structural dependence for drop energies (impact sensitivities) obtained for individual energetic materials (EMs) by means of a standard impact tester (Julius Peters) with the detection of the 50% probability of initiation based on acoustic detection. The dependence of impact sensitivity on specific crystal surfaces, using samples of individual EMs obtained by screening, should be investigated more extensively.
Rocznik
Strony
383--393
Opis fizyczny
Bibliogr. 32 poz., rys., tab.
Twórcy
autor
  • Institute of Energetic Materials (IEM), University of Pardubice, CZ-532 10 Pardubice, Czech Republic
autor
  • Institute of Energetic Materials (IEM), University of Pardubice, CZ-532 10 Pardubice, Czech Republic
autor
  • Institute of Energetic Materials (IEM), University of Pardubice, CZ-532 10 Pardubice, Czech Republic
Bibliografia
  • [1] Zeman S., The Relationship between Differential Thermal Analysis Data and the Detonation Characteristics of Polynitroaromatic Compounds, Thermochim. Acta, 1980, 41, 199-212.
  • [2] Zeman S., A Study of Chemical Micromechanism of the Organic Polynitro Compounds Initiation, Ch. 2 in: Energetic Materials, (Politzer P. & Murray J., Eds.), Part II, Elsevier Sci. BV, 2003, pp. 25-52.
  • [3] Zeman S., Sensitivity of High Energy Compounds, in: High Energy Density Materials, Series: Structure & Bonding, (Klapötke T.M., Ed.), 125, Springer, New York, 2007, pp. 195-271.
  • [4] Zeman S., Relationship between Detonation Characteristics and 15N NMR Chemical Shifts of Nitramines, J. Energ. Mater., 1999, 17, 305-330.
  • [5] Zeman S., New Aspects of the Impact Reactivity of Nitramines, Propellants Explos. Pyrotech., 2000, 25, 66-74.
  • [6] Klasovitý D., Zeman S., Růžicka A., Jungová M., Roháč M., cis-1,3,4,6-Tetranitrooctahydroimidazo-[4,5-d]imidazole (BCHMX), Its Properties and Initiation Reactivity, J. Hazard. Mater., 2009, 164, 954-961.
  • [7] Jungova M., Zeman S., Husarova A., New Aspects of Friction Sensitivity of Nitramines, J. Energet. Mater. (Tehran), 2012, 7 (1(14)), 13-18.
  • [8] Zeman S., Zeman V., Kamenský Z., Relationship between the Electric Spark Sensitivity and the NMR Chemical Shifts of some Organic Polynitro Compounds, 28th Int. Annu. Conf. ICT, Karlsruhe, June 1997, pp. 66/1-66/9.
  • [9] Zeman S., Analysis and Prediction of the Arrhenius Parameters of Low-Temperature Thermolysis of Nitramines by Means of the 15N NMR Spectroscopy, Thermochim. Acta, 1999, 333, 121-129.
  • [10] Zeman S., Study of the Initiation Reactivity of Energetic Materials, Ch. 8 in: Energetics Science and Technology in Central Europe, (Armstrong R.W., Short J.M., Kavetsky R.A., Anand D.K., Eds.) CECDS, University of Maryland, College Park, Maryland, 2012, pp. 131-167.
  • [11] Zeman S., Krupka M., New Aspects of Impact Reactivity of Polynitro Compounds. Part II. Impact Sensitivity as “the First Reaction” of Polynitro Arenes, Propellants Explos. Pyrotech., 2003, 28, 249-255.
  • [12] Elbeih A., Husarova A., Zeman S., Path to ε-HNIW with Reduced Impact Sensitivity, Cent. Eur. J. Energ. Mater., 2011, 8(3), 173-183.
  • [13] Atalar T., Jungová M., Zeman S., A New View of Relationships of the N–N Bond Dissociation Energies of Cyclic Nitramines. Part II. Relationships with Impact Sensitivity, J. Energ. Mater., 2009, 27, 200-216.
  • [14] Storm C.B., Stine J.R., Kramer J.F., Sensitivity Relationships in Energetic Materials, in: Chemistry and Physics of Energetic Materials, (Bulusu S.N., Ed.), Kluwer Acad. Publs., Dordrecht, 1990, p. 605.
  • [15] Zeman S., Krupka M., New Aspects of Impact Reactivity of Polynitro Compounds. Part III. Impact Sensitivity as a Function of the Intermolecular Interactions, Propellants Explos. Pyrotech., 2003, 28, 301-307.
  • [16] Jungová M., Zeman S., Husarová A., Friction Sensitivity of Nitramines. Part I: Comparison with Impact Sensitivity and Heat of Fusion, Chinese J. Energet. Mater. (HanNeng CaiLiao), 2011, 19(6), 603-606.
  • [17] Bulusu S., Axenrod T., Autera R., Application of 13C and 15N NMR Spectroscopy to Structural Studies on Nitramines, Org. Magn. Resonance, 1981, 16, 52-55.
  • [18] Kaiser M., Ditz B., Characterization of ADN and CL20 by NMR Spectroscopy, 29th Int. Annu. Conf. ICT, Karlsruhe, 1998, pp. 130/1-130/11.
  • [19] Vágenknecht J., Mareček P., Trzciński W., Sensitivity and Performance Properties of TEX Explosives, J. Energ. Mater., 2002, 20, 245.
  • [20] Dudek K., Marecek P., Vavra P., Laboratory Testing of HNIW Mixtures, 31st Int. Annu. Conf. ICT, Karlsruhe, Germany, 2000, pp. 110/1.
  • [21] Ou Y., Wang C., Pan Z., Chen B., Sensitivity of Hexanitrohexaazaisowurtzitane, Chinese J. Energet. Mater. (HanNeng CaiLiao), 1999, 7, 100-108.
  • [22] Clawson J.S., Strohmeier M., Stueber D., Orendt A.M., Barich D.H., Asay B.A., Hiskey M.A., Pugmire R.J., Grant D.M., 15N Chemical Shift Tensors of β-HMX, J. Phys. Chem. A, 2002, 106, 6352.
  • [23] Ou Y., Jia H., Xu Y., Chen B., Fan G., Liu L., Zheng F., Pan Z., Wang C., Synthesis and Crystal Structure of β-Hexanitrohexaazaisowurtzitane for Explosives, Science in China, Series B: Chemistry, 1999, 42(2), 217-224.
  • [24] Chen H., Li L., Jin S., Chen S., Jiao Q., Effect of Additives on ε-HNIW Crystal Morphology and Impact Sensitivity, Propellants Explos. Pyrotech., 2012, 37, 72-82.
  • [25] Chen H., Chen S., Liu J., If L., Jin S., Shi Y., Preparation of the Spheroidized HNIW Crystals, Faming Zhuanli Shenqing Gongkai Shuomingshu, CN Patent 101624394, A 20100113, 2010.
  • [26] Doo K.B., Spherical High-density 2,4,6,8,10,12-exanitrohexaazaisowurtzitane and Preparation Thereof, KR Patent 224043 B1, Dong Woon Specialty Chemical Co., Ltd., S. Korea, 1999.
  • [27] Li H., Xu P., Huang M., Nil F., Zhou J., Preparation and Properties of Reducedsensitivity CL20, Chin. J. Energet. Mater. (HanNeng CaiLiao), 2009, 17(1), 125-126.
  • [28] Zeman S., Jalový Z., Heats of Fusion of Polynitro Derivatives of Polyazaisowurtzitane, Thermochim. Acta, 2000, 345, 31-38.
  • [29] Atalar T., Zeman S., A New View of Relationships of the N–N Bond Dissociation Energies of Cyclic Nitramines. Part I. Relationships with Heats of Fusion, J. Energ. Mater., 2009, 27, 186-199.
  • [30] Kohno Y., Ueda K., Imamura A., Molecular Dynamics Simulation of Initial Decomposition Process on the Unique N-N Bond in Nitramines in the Crystalline State, J. Phys. Chem., 1996, 100, 4701-4712.
  • [31] Kamlet M.J., Adolph H.G., The Relationship of Impact Sensitivity with Structure of Organic High Explosives. Part II. Polynitroaromatic Explosives, Propellants Explos., 1979, 4, 30.
  • [32] Bliss D.E., Christian S.L., Wilson W.S., Impact Sensitivity of Polynitroaromatics, J. Energ. Mater., 1991, 9, 319.
Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-1a72b35b-0b0c-48fd-8384-6587c19a61d3
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