Topography of photochemical initiation in molecular materials

Molecules

Volumn 18, Issue 11, 2013, Pages 14148-14160

  Aluker, Edward D ^a   Krechetov, Alexander G ^a   Mitrofanov, Anatoly Y ^a   Zverev, Anton S ^a   Kuklja, Maija M ^b  

^a KEMEROVO STATE UNIVERSITY   (Russian Federation)

^b UNIVERSITY OF MARYLAND   (United States)

Author keywords

Excitonic mechanism of initiation; High explosive decomposition; Laser excitation; Molecular energetic materials; PETN

Indexed keywords

EID: 84888617466     PISSN: None     EISSN: 14203049     Source Type: Journal    
DOI: 10.3390/molecules181114148     Document Type: Article

References (44)

1. Evans, B.L.; Yoffe, A.D. Structure and stability of inorganic azides. II. Some physical and optical properties, and the fast decomposition of solid monovalent inorganic azides. Proc. R. Soc. Lond. Ser. A 1959, 250, 346-366.
2. Bourne, N.K. On the laser ignition and initiation of explosives. Proc. R. Soc. Lond. Ser. A 2001, 457, 1401-1426.
3. Aluker, E.D.; Aluker, N.L.; Belokurov, G.M.; Krechetov, A.G.; Mitrofanov, A.Y.; Nurmukhametov, D.R.; Tupitsyn, A.V. Laser Initiation of PETN. In Energetic Materials: Chemistry, Hazards, and Environmental Aspects; Howell, J.R., Fletcher, T.E., Eds.; NOVA Publishers: New York, NY, USA, 2010; pp. 213-227.
4. Rubenchik, A.M. On the initiation of high explosives by laser radiation. Propellants Explos. Pyrotech. 2007, 32, 296-300.
5. Aluker, E.D.; Krechetov, A.G.; Mitrofanov, A.Y.; Nurmukhametov, D.R.; Kuklja, M.M. Laser initiation of energetic materials: Selective photoinitiation regime in pentaerythritol tetranitrate. J. Phys. Chem. C 2011, 115, 6893-6901.
6. Aluker, E.D.; Krechetov, A.G.; Mitrofanov, A.Y.; Zverev, A.S.; Kuklja, M.M. Understanding limits of the thermal mechanism of laser initiation of energetic materials. J. Phys. Chem. C 2012, 116, 24482-24486.
7. Conner, R.W.; Dlott, D.D. Time-resolved spectroscopy of initiation and ignition of flash-heated nanoparticle energetic materials. J. Phys. Chem. C 2012, 116, 14737-14747.
8. Bernstein, E.R. Overviews of Recent Research on Energetic Materials; Shaw, R., Brill, T., Thompson, D., Eds.; World Scientific: Singapore, Singapore, 2004; pp. 161-190.
9. Fast Initiation of Explosives. Special Regimes of Detonation: A Collection of Articles; Tarzhanov, V.I., Ed.; RFYaTs VNIITF: Snezhinsk, Russia, 1998; p. 168.
10. Danilenko, V.V. Explosion: Physics, Engineering, Technology; Mashinostroenie: Moscow, Russia, 2010.
11. Pinnaduwage, L.A.; Gehl, A.; Hedden, D.L.; Muralidharan, G.; Thundat, T.; Lareau, R.T.; Sulchek, T.; Manning, L.; Rogers, B.; Jones, M.; et al. Explosives: A microsensor for trinitrotoluene vapour. Nature 2003, 425, 474.
12. Moore, D.S. Recent advances in trace explosives detection instrumentation. Sens. Imaging 2007, 8, 9-38.
13. Kartha, K.K.; Babu, S.S.; Srinivasan, S.; Ajayaghosh, A. Attogram sensing of trinitrotoluene with a self-assembled molecular gelator. J. Am. Chem. Soc. 2012, 134, 4834-4841.
14. Rose, A.; Zhu, Z.; Madigan, C.F.; Swager, T.M.; Bulovic, V. Sensitivity gains in chemosensing by lasing action in organic polymers. Nature 2005, 434, 876-879.
15. Andrew, T.L.; Swager, T.M. A fluorescence turn-on mechanism to detect high explosives RDX and PETN. J. Am. Chem. Soc. 2007, 129, 7254-7255.
16. Germain, M.N.; Arechederra, R.L.; Minteer, S.D. Nitroaromatic actuation of mitochondrial bioelectrocatalysis for self-powered explosive sensors. J. Am. Chem. Soc. 2008, 130, 15272-15273.
17. Kimmel, A.V.; Sushko, P.V.; Shluger, A.L.; Kuklja, M.M. Effect of charged and excited states on the decomposition of 1,1-diamino-2,2-dinitroethylene molecules. J. Chem. Phys. 2007, 126, 234711:1-234711:10.
18. Kuklja, M.M. On the initiation of chemical reactions by electronic excitations in molecular solids. Appl. Phys. A 2003, 76, 359-366.
19. Kuklja, M.M.; Stefanovich, E.V.; Kunz, A.B. An excitonic mechanism of detonation initiation in explosives. J. Chem. Phys. 2000, 112, 3417-3423.
20. Kunz, A.B.; Kuklja, M.M.; Botcher, T.R.; Russel, T.P. Initiation of chemistry in molecular solids by processes involving electronic excited states. Thermochim. Acta 2002, 384, 279-284.
21. Aluker, E.D.; Aluker, N.L.; Belokurov, G.M.; Krechetov, A.G.; Loboiko, B.G.; Nurmukhametov, D.R.; Tupitsyn, A.V.; Filin V.P. Efficiency of laser initiation and absorption spectra of PETN. Russ. J. Phys. Chem. B 2010, 4, 63-65.
22. Aluker, E.D.; Aluker, N.L.; Krechetov, A.G.; Mitrofanov, A.Y.; Nurmuhametov, D.R.; Shvayko, V.N. Laser initiation of PETN in the mode of resonance photoinitiation. Russ. J. Phys. Chem. B 2011, 5, 67-74.
23. Yu, Z.; Bernstein, E.R. Decomposition of pentaerythritol tetranitrate [C(CH2ONO2)4] following electronic excitation. J. Chem. Phys. 2011, 135, 154305:1-154305:10.
24. Guo, Y.Q.; Bhattacharya, A.; Bernstein, E.R. Excited electronic state decomposition of furazan based energetic materials: 3,3'-diamino-4,4'- azoxyfurazan and its model systems, diaminofurazan and furazan. J. Chem. Phys. 2008, 128, 034303:1-034303:11.
25. Bhattacharya, A.; Guo, Y.Q.; Bernstein, E.R. Nonadiabatic reaction of energetic molecules. Acc. Chem. Res. 2010, 43, 1476-1485.
26. Tsyshevsky, R.; Sharia, O.; Kuklja, M.M. Thermal decomposition mechanisms of nitroesters: Ab initio modeling of pentaerythritol tetranitrate. J. Phys. Chem. C 2013, 117, 18144-18153.
27. Robertson, A.J.B. The thermal decomposition of pentaerythritol tetranitrate, nitroglycerin, ethylenediamine dinitrate and ammonium nitrate. J. Soc. Chem. Ind. 1948, 67, 221-224.
28. Rogers, R.N.; Morris, E.D., Jr. On estimating activation energies with a differential scanning calorimeter. Anal. Chem. 1966, 38, 412-414.
29. Maycock, J.N.; Pai Verneker, V.R. Characterization of thermal and photosublimation of organic explosives by thermobarogravimetric techniques. Thermochim. Acta 1970, 1, 191-198.
30. Volltrauer, H.N. Real time low temperature decomposition of explosives-PETN. J. Hazard. Mater. 1982, 5, 353-357.
31. Oxley, J.C.; Smith, J.L.; Brady IV, J.E.; Brown, A.C. Characterization and analysis of tetranitrate esters. Propellants Explos. Pyrotech. 2012, 37, 24-39.
32. Aluker, E.D.; Krechetov, A.G.; Mitrofanov, A.Y.; Sakharchuk, Y.P. Model of the Photostimulated Fragmentation of PETN Molecules in Selective Photoinitiation. Russ. J. Phys. Chem. B 2011, 5, 821-823.
33. Bugaenko, L.T.; Kuz'min, M.G.; Polak, L.S.; Kemp, T.J. High-Energy Chemistry. In Ellis Horwood PTR Prentice Hall Physical Chemistry Series; Ellis Horwood: New York, NY, USA, 1992.
34. Aduev, B.P.; Aluker, E.D.; Krechetov, A.G.; Mitrofanov, A.Y. Propagation of the chain explosive-decompositon reaction in silver azide crystals. Combust. Explos. Shock Waves 2003, 39, 701-703.
35. Aluker, E.D.; Aduev, B.P.; Zakharov, Y.A.; Mitrofanov, A.Y.; Krechetov, A.G. Early stages of explosive decompostion of energetic materials. In Focus on Combustion Research; Jiang, S.Z., Ed.; Novapublishers: New York, NY, USA, 2006; pp. 55-58.
36. Zakharov, Y.A.; Aluker, E.D.; Aduev, B.P.; Krechetov, A.G.; Mitrofanov, A.Y. Time-resolved picture of initiation and propagation of preexplosive luminescence in AgN3. Combust. Flame 2004, 137, 538-540.
37. Gavartin, J.L.; Shluger, A.L. Thermal fluctuations, localization, and self-trapping in a polar crystal: Combined shell-model molecular dynamics and quantum chemical approach. Phys. Rev. B 2001, 64, 245111:1-245111:13.
38. Lee, E.L.; Tarver, C.M. Phenomenological model of shock initiation in heterogeneous explosives. Phys. Fluids 1980, 23, 2362:1-2362:11.
39. Urtiew, P.A.; Tarver, C.M. Shock initiation of energetic materials at different initial temperatures (review). Combust. Explos. Shock Waves 2005, 41, 766-776.
40. Nichols III, A.L.; Tarver, C.M. A Statistical Hot Spot Reactive Flow Model for Shock Initiation and Detonation of Solid High Explosives. Proceedings of Twelfth International Symposium on Detonation, Office of Naval Research, San Diego, CA, USA, 11-16 August 2002.
41. Luebcke, P.E.; Dickson, P.M.; Field, J.E. Deflagration-to-detonation transition in granular pentaerythritol tetranitrate. J. Appl. Phys. 1996, 79, 3499-3503.
42. It is interesting to note the similarity of the processes (items 1, 2) with a known phenomenon of "radiation blistering," the accumulation of radiolytic gas in the micropores of the material of the fuel elements of nuclear reactors, leading, ultimately, to their destruction, see, for example, Das, S.K.; Kaminsky, M. Radiation blistering of polycrystalline niobium by helium-ion implantation. J. Appl. Phys. 1973, 44, 25-31.
43. Semenov, N.N. Some Problems in Chemical Kinetics and Reactivity; Princeton University Press: Princeton, NJ, USA, 1958; Volume 2, pp. 1-686.
44. Heer, C.V. Statistical Mechanics, Kinetic Theory, and Stochastic Processes; Academic Press: New York, NY, USA, 1972; pp. 1-602.