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Warianty tytułu
Języki publikacji
Abstrakty
Increasing the nitrogen/carbon ratios in the molecular frameworks of C,H,N,O explosives has attracted considerable attention because it tends to result in more positive heats of formation and often greater densities. In conjunction with this, there has been a growing interest in N-oxide linkages, N+ → O−, as another source of oxygen in these compounds, in addition to or even possibly replacing NO2 groups. In this study, for a series of polyazines and polyazoles, we have compared the effects of introducing a single N-oxide linkage or NO2 group upon key properties that affect detonation velocity and detonation pressure. We found that: (1) The heats of formation per gram of compound, which is what is relevant for this purpose, are almost always higher for the N-oxides. (2) The nitro derivatives have greater densities and detonation heat releases. In relation to the latter, it must be kept in mind that increasing detonation heat release tends to be accompanied by increasing sensitivity. (3) The N-oxides produce more moles of gaseous detonation products per gram of compound.
Rocznik
Tom
Strony
3--25
Opis fizyczny
Bibliogr. 72 poz., rys., tab.
Twórcy
autor
- Department of Chemistry, University of New Orleans 70148 New Orleans (Louisiana), United States
autor
- Department of Chemistry, University of New Orleans 70148 New Orleans (Louisiana), United States
Bibliografia
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- [43] Politzer, P.; Murray, J. S. Some Molecular/Crystalline Factors that Affect the Sensitivities of Energetic Materials: Molecular Surface Electrostatic Potentials, Lattice Free Space and Maximum Heat of Detonation per Unit Volume. J. Mol. Model. 2015, 21: 25(1-11).
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- [45] Licht, H.-H. Performance and Sensitivity of Explosives. Propellants Explos. Pyrotech. 2000, 25: 126-132.
- [46] Politzer, P.; Murray, J. S. Detonation Performance and Sensitivity: A Quest for Balance. Adv. Quantum Chem. 2014, 69: 1-30.
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- [48] Kamlet, M. J.; Adolph, H. G. The Relationship of Impact Sensitivity with Structure of Organic High Exlosives. II. Polynitroaromatic Explosives. Propellants Explos. 1979, 4: 30-34.
- [49] Politzer, P.; Murray, J. S. High Performance, Low Sensitivity: Conflicting or Compatible? Propellants Explos. Pyrotech. 2016, 41: 1-13.
- [50] Wilson, K. J.; Perera, S. A.; Bartlett, R. J.; Watts, J. D. Stabilization of the Pseudo-Benzene N6 Ring with Oxygen. J. Phys. Chem. A 2001, 105: 7693-7699.
- [51] Churakov, A. M.; Tartakovsky, V. A. Progress in 1,2,3,4-Tetrazine Chemistry. Chem. Rev. 2004, 104: 2601-2616.
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- [53] Zelenin, A. K.; Stevens, E. D.; Trudell, M. L. Synthesis and Structure of 4-[(4-Nitro-1,2,5-oxadiazole-3-yl)-NNO-azoxyl]-1,2,5-oxadiazol-3-amine. Struct. Chem. 1997, 8: 373-377.
- [54] Li, J.-R.; Zhao, J.-M.; Dong, H.-S. Crystal Structure of 2,4,6-Trinitropyridine and Its N-Oxide. J. Chem. Cryst. 2005, 35, 943-948.
- [55] Huynh, M. Y. V.; Hiskey, M. A.; Chavez, D. E.; Gilardi, R. D. Preparation, Characterization, and Properties of 7-Nitrotetrazolo [1,5-f]furazano[4,5-b]pyridine 1-Oxide. Energ. Mater. 2005, 23: 99-106.
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- [59] Politzer, P.; Lane, P.; Murray, J. S. Tricyclic Polyazine N-Oxides as Proposed Energetic Compounds. Cent. Eur. J. Energ. Mater. 2013, 10: 171-189.
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- [63] Bulat, F. A.; Toro-Labbé, A.; Brinck, T.; Murray, J. S.; Politzer, P. Quantitative Analysis of Molecular Surfaces: Volumes, Electrostatic Potentials and Average Local Ionization Energies. J. Mol. Model. 2010, 16: 1679-1693.
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Uwagi
Opracowanie ze środków MNiSW w ramach umowy 812/P-DUN/2016 na działalność upowszechniającą naukę (zadania 2017).
Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-cb1b35bc-5326-4a37-ac47-a4534df53382