Software Development for the Detonation Product Analysis of High Energetic Materials - Part I

• Autorzy: Muthurajan H. , Ghee H.
• Języki publikacji: EN

Abstrakty

EN

The detonation of energetic materials will result in the formation of decomposition products. These may be carbon monoxide, carbon dioxide, carbon, water, etc. In order to clarify the problems of decomposition products, a software package is developed to solve the problems of decomposition products using four different concepts. Although each concept will provide a different answer for the decomposition products they can be used as a guide and give fairly good approximations. This paper describes the development of a software package to estimate the possible decomposition products and the results generated using the software package LION. An algorithm to compute the detonation products of energetic materials using four different concepts along with the computation of oxygen balance, elemental composition, and molecular weight has been developed and described in this paper. The concept or predicting possible detonation products is particularly useful as one of the guideline for screening the potential molecules, when formulating explosives to produce a minimum toxic fumes to reduce the toxic hazardous to the users.

Słowa kluczowe

EN

detonation products; explosives; energetic materials; volume of detonation products; oxygen balance; software

• Wydawca: Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
• Czasopismo: Central European Journal of Energetic Materials
• Rocznik: 2008
• Tom: Vol. 5, nr 3-4
• Strony: 19--35
• Opis fizyczny: Bibliogr. 35 poz.

Twórcy

autor

Muthurajan H.

autor

Ghee H.

• Energetics Research Institute, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798,

Bibliografia

• [1] Sikder A.K., An Overview on Recent Trends in Energetic Materials and Their Identification by Modern Analytical Techniques, CEP on High Explosives, November 25-29, 2002, (Rao K.U.B, Sinha R.K., Eds.), High Energy Materials Research Laboraotry, Pune, India.
• [2] Akhavan J., The Chemistry of Explosives, Second Edition, Royal Society of Chemistry, Cambridge, UK, 2004.
• [3] Fried L.E., Manaa M.R., Pagoria P.F., Simpson R.L., Annu. Rev. Mater. Res., 2001, 31, 291.
• [4] Fried L.E., Manaa M.R., Lewis J. P., Chapter 9, Modeling the Reactions of Energetic Materials in the Condensed Phase, in: Shaw R.W., Brill T.B., Thompson D.L., Overviews of Recent Research on Energetic Materials, Vol 16, World Scientific publishers, 2005.
• [5] Rothstein L.R., Petersen R., Predicting High Explosive Detonation Velocities from their Composition and Structure, Propellants and Explosive, 1979, 4, 56-60.
• [6] Rothstein L.R., Predicting High Explosive Detonation Velocities from their Composition and Structure (II), ibid., 1981, 6, 91-93,
• [7] Stine J.R., On Predicting Properties of Explosives – Detonation Velocity, J. Energetic Materials, 1990, 8, 41-73.
• [8] Kamlet M.J., Abland J.E, Chemistry of Detonations I, A Simple Method for Calculating Detonation Properties of C-H-N-O Explosives, J. Chem. Phys., 1968, 48, 23-35.
• [9] Kamlet M.J., Abland J.E, Chemistry of Detonations II, Buffered Equilibria, ibid., 1968, 48, 36-42.
• [10] Kamlet M.J., Abland J.E, Chemistry of Detonations III, Evaluation of the Simplified Calculation Method for Chapman-Jouguet Detonation Pressures on the Basis of Available Experimental Information, ibid., 1968, 48, 43-50.
• [11] Kamlet M.J., Abland J.E., Chemistry of Detonations IV, Evaluation of a Simple Prediction Method for Detonation Velocities of C-H-N-O Explosives, ibid., 1968, 48, 3685-3692.
• [12] Kamlet M.J., Abland J.E, Chemistry of Detonations VI A ‘Rule for Gamma’ as a Criterion for Choice Among Conflicting Detonation Pressure Measurements, Combustion and Flame, 1980, 38, 221-230.
• [13] Rice B.M., Hare J., Predicting Heats of Detonation Using Quantum Mechanical Calculations, Thermochimica Acta, 2002, 384, 377-391.
• [14] Pivina T.S., Sukhachev D.V., Evtushenko A.V., Khmelnitskii L.I., Comparative Characteristic of Energy Content Calculating Methods for the Furazan Series as an Example of Energetic Materials, Propellants, Explos., Pyrotech., 1995, 20, 5-10.
• [15] Chen D.S., Wong D.S., Neural Network Correlations of Detonation Properties of High Energy Explosives, ibid., 1998, 23, 296-300.
• [16] Pivina T.S., Shcherbukhin V.V., Molchanova M.S., Zefirov N.S., Computer-Assisted Prediction of Novel Target High-Energy Compounds, ibid., 1995, 20, 144-146.
• [17] Oxley J.C., Chemistry of Explosives, Chapter 5: Explosive Effects and Applications, (Jonas A. Zukas and William P. Walters, Eds.), Springer-Verlag, New York, United States of America, 1997.
• [18] Fickett W., Davis W.C., Detonation, University of California Press, Berkely, 1979.
• [19] Mader C.L., Stretch BKW—A Code for Computing the Detonation Properties of Explosives, Los Alamos Scientific Laboratory, 1961.
• [20] Mader C.L., Detonation Performance Calculations Using the Kistiakowsky & Wilson Equation of State, Los Alamos Scientific Laboratory Report U-2613, 1961.
• [21] Mader C.L., Detonation Properties of Condensed Explosives Computed Using the Becker–Kistiakosky–Wilson Equation of State, Los Alamos Scientific Laboratory Report LA-2900, 1963.
• [22] Mader C.L., Numerical Modeling of Detonations, University of California Press, 1979.
• [23] Cowperthwaite M., Zwisler W.H., TIGER Computer Program Documentation, SR Publication Number 2106, Stanford Research Institute, Menlo Park, California, 1973.
• [24] Persson P.A., TIGER WIN - a Window PC Code for Computing Explosive Performance and Thermodynamic Properties, in: Proceedings of 2000 High-tech Seminar, State-of-the Art Blasting Technology and Explosive Applications, 2000, p. 541.
• [25] Xiong Wu, Detonation Properties of Condensed Explosives Computed with the VLW Equation of State, Proceedings of the 8th Symposium (International) on Detonation, 1985, pp. 796-804.
• [26] Xiong Wu, Progress in VLW Equation of State of Detonation Products, Proceedings of the 17th International Pyrotechnics Seminars, 1991, pp. 871-875.
• [27] Suceska M., EXPLO5 – Computer Program for Calculation of Detonation parameters, Proceedings of 32nd International Conference of ICT, July 3-6, Karlsruhe, Germany, 2001, pp. 110/1-11.
• [28] Hobbs M.L., Baer M.R., Calibrating the BKW-EOS with a Large Product Species Data Base and Measured C-J Properties, 10th Symp. (International) on Detonation, ONR 33395-12, Boston, MA, July 12-16, 1993, pp. 409-418.
• [29] Hobbs M.L., Baer M.R., Pyrotechnic Calculations Using the BKW - EOS with a Large Product Species Data Base, 18th International Pyrotechnics Seminar, 1992, pp. 415-431.
• [30] Hobbs M.L., Baer M.R., Non Ideal Thermo Equilibrium Calculations Using a Large Product Species Data Base, SAND92-0482, also in: Shock Waves, 1992, 2(3), 177.
• [31] Fried L., Souers P., Next Generation Thermochemical Code, Lawrence Livermore National Laboratory, UCRL-ID-117240, November 1994.
• [32] Keshavarz M.H., Pouretedal H.R., An Empirical Method for Predicting Detonation Pressure of Chnofcl Explosives, Thermochimica Acta, 2004, 414, 203-208.
• [33] Cooper P.W., Introduction to Detonation Physics, Chapter 4: Explosive Effects and Applications, (Jonas A. Zukas and William P. Walters, Eds.), Springer-Verlag, New York, United States of America, 1997.
• [34] Cooper P.W., Explosives Engineering, VCH Publishers Inc, New York, United States of America, 1996.
• [35] Kubota N., Propellants and Explosives – Thermochemical Aspects of Combustion, 2nd Ed., Wiley-VCH, Germany, 2007.