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The Relationship between Impact Sensitivity of Nitroaromatic Energetic Compounds and their Electrostatic Sensitivity

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Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
This study presents a linear relationship between the impact sensitivity of nitroaromatic energetic compounds and their electric spark sensitivity. The methodology assumes that the impact sensitivity of a nitroaromatic energetic compound with the general formula CaHbNcOd can be expressed as a function of the electrostatic sensitivity, the number of NH2 group substitutions in the 2,4,6-trinitrophenyl ring and non-additive structural parameters. The root mean square and absolute standard deviation of a newly introduced correlation were respectively found to be 2.4 and 2.0 for 27 nitroaromatic energetic compounds. The proposed new correlation was also tested for 7 additional nitroaromatic energetic compounds, which have complex molecular structures such as 1-(2,4,6-trinitrophenyl)-5,7-dinitrobenzotriazole and 1,3,7,9-tetranitrophenoxazine.
Rocznik
Strony
427--443
Opis fizyczny
Bibliogr. 36 poz., rys., tab.
Twórcy
autor
  • Faculty of Chemistry and Chemical Engineering, Malek-ashtar University of Technology, P.O. Box 15875-1774, Tehran, Islamic Republic of Iran
  • Faculty of Chemistry, Iran University of Science and Technology, P.O. Box 16846-13114, Tehran, Islamic Republic of Iran
  • Faculty of Chemistry, Iran University of Science and Technology, P.O. Box 16846-13114, Tehran, Islamic Republic of Iran
Bibliografia
  • [1] Sikder A.K., Maddala G., Agrawal J.P., Singh H. Important Aspects of Behaviour of Organic Energetic Compounds: A Review, J. Hazard. Mater. A, 2001, 84, 1-26.
  • [2] Zeman S., New Aspects of Initiation Reactivities of Energetic Materials Demonstrated on Nitramines, J. Hazard. Mater. A, 2006, 132, 155-164.
  • [3] Keshavarz M.H., Jaafari M., Investigation of the Various Structure Parameters for Predicting Impact Sensitivity of Energetic Molecules via Artificial Neural Network, Propellants Explos. Pyrotech., 2006, 31, 216-225.
  • [4] Keshavarz M.H., Motamedoshariati H., Pouretedal H.R., Kavosh Tehrani M., Semnani A., Prediction of Shock Sensitivity of Explosives Based on Small Scale Gap Test, J. Hazard. Mater. A, 2007, 145, 109-112.
  • [5] Keshavarz M.H., Pouretedal H.R., Semnani A., Simple Way to Predict Electrostatic Sensitivity of Nitroaromatic Compounds, Chemistry, 2008, 17, 470-484.
  • [6] Keshavarz M.H., Theoretical Prediction of Electric Spark Sensitivity of Nitroaromatic Energetic Compounds based on Molecular Structure, J. Hazard. Mater., 2008, 153, 201-206.
  • [7] Zeman S., Kočί J., Electric Spark Sensitivity of Polynitro Compounds. Part IV: A Relation to Thermal Decomposition Parameters, HanNeng CaiLiao, 2000, 8, 18-26.
  • [8] Zeman V., Kočί J., Zeman S., Electric Spark Sensitivity of Polynitro Compounds. Part II: A Correlation with Detonation Velocity of Some Polynitro Arenes, HanNeng CaiLiao, 1999, 7, 127-32.
  • [9] 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, Amsterdam, 2003, p. 25; ISBN 0 444 51519 4.
  • [10] Roux M., Auzanneau M., Brass C., Electric Spark and ESD Sensitivity of Reactive Solids. Part I: Experimental Results and Reflection Factors for Sensitivity Test Optimization, Propellants Explos. Pyrotech., 1993, 18, 317.
  • [11] Auzenau M., Roux M., Electric Spark and ESD Sensitivity of Reactive Solids. Part II: Energy Transfer Mechanism and Comprehensive Study on E50, Propellants Explos. Pyrotech., 1995, 20, 96-101.
  • [12] Hosoya F., Shiino K., Itabashi K., Electric Spark Sensitivity of Heat Resistant Polynitroaromatic Compounds, Propellants Explos. Pyrotech., 1991, 16, 119-22.
  • [13] Skinner D., Olson D., Block-Bolten A., Electrostatic Discharge Ignition of Energetic Materials, Propellants Explos. Pyrotech., 1997, 23, 34-42.
  • [14] Zeman S., Kočί J., Electric Spark Sensitivity of Polynitro Compounds: Part IV. A Relation to Thermal Decomposition Parameters, HanNeng CaiLiao, 2000, 8, 18.
  • [15] Kočί J., Zeman V., Zeman S., Electric Spark Sensitivity of Polynitro Compounds: Part V: A Relationship between Electric Spark and Impact Sensitivities of Energetic Material, Energ. Mater., 2001, 9, 60-65.
  • [16] Zeman S., Valenta P., Zeman V., Electric Spark Sensitivity of Polynitro Compounds: A Comparison of some Authors Results, HanNeng CaiLiao, 1998, 6, 118.
  • [17] Zeman S., Pelikán V., Majzlík J., Electric Spark Sensitivity of Nitramines. Part I. Aspects of Molecular Structure, Cent. Eur. J. Energ. Mater., 2006, 3(3), 27-44.
  • [18] Agraval G.P., High Energy Materials, Propellants, Explosives and Pyrotechnics, Wiley-VCH, 2010, Ch. 3; ISBN 978-3-527-32610-5.
  • [19] Jun Z., Xin-lu C., Bi H., Xiang-dong Y., Neural Networks Study on the Correlation Between Impact Sensitivity and Molecular Structures for Nitramine Explosives, Struct. Chem., 2006, 17, 501-507.
  • [20] Lai W-P, Lian P., Wang B-Z., Ge Z-X., New Correlations for Predicting Impact Sensitivities of Nitro Energetic Compounds, J. Energ. Mater., 2010, 28, 45-76.
  • [21] Song X., Cheng X., Yang X., Bi H., Relationship between the Bond Dissociation Energies and Impact Sensitivities of some Nitroexplosives, Propellants Explos. Pyrotech., 2006, 31, 306-10.
  • [22] Murray J., Concha M., Politzer P., Links between Surface Electrostatic Potentials of Energetic Molecules, Impact Sensitivities and C–NO2/N–NO2 Bond Dissociation Energies, Mol. Phys., 2009, 107, 89-97.
  • [23] Jungova M., Zeman S., Husarova A., Friction Sensitivity of Nitramines. Part I: Comparison with Impact Sensitivity and Heat of Fusion, HanNeng CaiLiao, 2011, 6, 603-606.
  • [24] Mullay J., Relationships between Impact Sensitivity and Molecular Electronic Structure, Propellants Explos. Pyrotech., 1987, 12, 121-124.
  • [25] Mullay J.A., Relationship between Impact Sensitivity and Molecular Electronegativity, Propellants Explos. Pyrotech., 1987, 12, 60-63.
  • [26] Zohari N., Keshavarz M.H., Seyedsadjadi S.A., A Link between Impact Sensitivity of Energetic Compounds and their Activation Energies of Thermal Decomposition, J. Thermal Anal. Calorim., 2014, 117, 423-432.
  • [27] 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.
  • [28] Zohari N., Keshavarz M.H., Seyedsadjadi S.A., The Advantages and Shortcomings of Using Nano-sized Energetic Materials, Cent. Eur. J. Energ. Mater., 2013, 10(1), 135-147.
  • [29] Palm W.J. III, Introduction to Matlab for Engineers, McGraw-Hil, New York, 2005, ISBN 978-0-07-353487-9.
  • [30] Keshavarz M.H., Zohari N., Seyedsadjadi S.A., Validation of Improved Simple Method for Prediction of Activation Energy of the Thermal Decomposition of Energetic Compounds, J. Therm. Anal. Calorim., 2013, 114, 497-510.
  • [31] Dobratz B.M., The Insensitive High Explosive Triaminotrinitrobenzene (TATB): Development and Characterization − 1888 to 1994, LA-13024H.UC-741 Los Alamos: Los Alamos Scientific Laboratory, 1995.
  • [32] Rice B.M., Hare J.J., A Quantum Mechanical Investigation of the Relation between Impact Sensitivity and the Charge Distribution in Energetic Molecules, J. Phys. Chem. A, 2002, 106, 1770.
  • [33] Storm C.B., Stine J.R., Kramer J.F., Chemistry and Physics of Energetic Materials, (Bulusu S.N., Ed.), Kluwer Academic Publishers, Dordrecht, The Netherlands, 1990, p. 605; ISBN 978-94-010-7413-1.
  • [34] Zeman S., New Aspects of Impact Reactivity of Polynitro Compounds. Part IV: Allocation of Polynitro Compounds on the Basis of their Impact Sensitivities, Propellants Explos. Pyrotech., 2003, 28, 308-13.
  • [35] Wang R., Jiang J., Pan Y., Cao H., Cui Y., Prediction of Impact Sensitivity of Nitro Energetic Compounds by Neural Network Based on Electrotopological-State Indices, J. Hazard. Mater., 2009, 166, 155-86.
  • [36] Gibbs T.R., Popolato A., Los Alamos Series on Dynamic Material Properties, University of California Press, 1980.
Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-bfcadd27-0e7f-446a-a203-0ffeee3c3ea6
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