The effect of crystal structure on the thermal reactivity of CL-20 and its C4-bonded explosives: Part II. Models for overlapped reactions and thermal stability

Journal of Thermal Analysis and Calorimetry

Volumn 112, Issue 2, 2013, Pages 837-849

  Yan, Qi Long ^a   Zeman, Svatopluk ^a   Svoboda, Roman ^a   Elbeih, Ahmed ^b   Málek, Jiří ^a  

^a UNIVERSITY OF PARDUBICE   (Czech Republic)

^b MILITARY TECHNICAL COLLEGE   (Egypt)

Author keywords

CL 20; Crystal structure; PBXs; Reaction model; Thermal decomposition kinetics

Indexed keywords

CHEMICAL ACTIVATION; CRYSTAL STRUCTURE; DECOMPOSITION; PRIVATE TELEPHONE EXCHANGES; REACTION KINETICS; TEMPERATURE; THERMODYNAMIC STABILITY; THERMOLYSIS;

AUTOCATALYTIC PROCESS; CRITICAL TEMPERATURES; DECOMPOSITION PROCESS; MECHANISM FUNCTIONS; REACTION MODEL; THERMAL DECOMPOSITION KINETICS; THERMAL REACTIVITY; TWO-STEP MECHANISMS;

ACTIVATION ENERGY;

EID: 84880697560     PISSN: 13886150     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10973-012-2629-3     Document Type: Article

References (51)

1. Philip M. Howe, effects of microstructure on explosive behavior, book chapter 1.6. In: Yang V, Brill TB, and Ren W-Z, editors. Progress in astronautics and aeronautics: solid propellant chemistry, combustion, and motor interior ballistics, vol. 185. 2000. p. 141-183.
2. Philip M. Howe, Trends in shock initiation of heterogeneous explosives. Report from Los Alamos National Lab No. LA-UR-98-274 CONF-980803, USDOE, Washington, DC; 1998, p. 1-13.
3. Yan Q-L, Zeman S, Elbeih A. Recent advances in thermal analysis and stability evaluation of insensitive plastic bonded explosives (PBXs). Thermochim Acta. 2012;537:1-12.
4. Simpson RL, Urtiev PA, Ornellas DL, Moody GL, Scribner KJ, Hoffman DM. CL-20 performance exceeds that of HMX and its sensitivity is moderate. Propellants Explos Pyrotech. 1997;22:249.
5. Bazaki H, Kawabe H, Miya H. Synthesis and sensitivity of hexanitrohexaazaisowurtzitane (HNIW). Propellants Explos Pyrotech. 1998;23:30.
6. Bayat Y, Hajimirsadeghi SS, Pourmortazavi SM. Statistical optimization of reaction parameters for the synthesis of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12- hexaazaisowurtzitane. Org Process Res Dev. 2011;15:810-6.
7. Geetha M, Nair UR, Sarwade DB, Gore GM, Asthana SN, Singh H. Studies on CL-20: the most powerful high energy material. J Therm Anal Calorim. 2003;73:913.
8. Ryzhov LR, McBride JM. Low-temperature reactions in single crystals of the polycyclic nitramine 15N-HNIW. J Phys Chem. 1996;100:163.
9. Dong L, Li X, Yang R. Thermal decomposition kinetics of hexanitrohexaazaisowurtzitane by mass spectrometry. Acta Phys Chem Sin. 2008;24:997.
10. Okovytyy S, Kholod Y, Qasim M, Fredrickson H, Leszczynski J. The mechanism of unimolecular decomposition of hexanitrohexaazaisowurtzitane: a computational DFT study. J Phys Chem A. 2005;109:2946.
11. Xu X, Xiao H, Xiao J, Zhu W, Huang H, Li J. Molecular dynamics simulations for pure e-CL-20 and e-CL-20-based PBXs. J Phys Chem B. 2006;110:7203.
12. Sorescu DC, Rice BM, Thompson DL. Molecular packing and NPT-molecular dynamics investigation of the transferability of the RDX intermolecular potential to 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane. J Phys Chem B. 1998;102:948.
13. Patil DG, Brill TB. Thermal decomposition of energetic materials 59. Characterization of residue of hexanitrohexaazaisowurtzitane. Combust Flame. 1993;92:456.
14. Lobbecke S, Bohn MA, Pfeil A, Krause H. Thermal behavior and stability of HNIW (CL-20), 29th international annual conference of ICT, Karlsruhe; 1998.
15. Turcotte R, Vachon M, Kwok Q, Wang R, Daved E. Thermal study of HNIW (CL-20). Thermochim Acta. 2005;433:105.
16. Xiao H, Yang R. Hexanitrohexaazaisowurtzitane ion dissociation mechanism based on mass-analyzed ion kinetic energy spectrum. J Propuls Power. 2005;21:1069.
17. Song Z-W, Yan Q-L, Li X-J, Qi X-F, Liu M. Crystal transition of ε-CL-20 in different solvent. Chinese J Energ Mater. 2010;6:648-653.
18. Simpson RL, Utriew PA, Ornellas DL, Moody GL, Scribner KJ, Hoffman DM. CL-20 performance exceeds that of HMX and its sensitivity is moderate. Propellants Explos Pyrotech. 1997;22:249-55.
19. Krause HH. New energetic materials. In: Tiepel U, editor. Energetic materials. Weinheim: Willey; 2005. p. 1-25.
20. Ou Y, Wang C, Pan Z, Chen B. Sensitivity of hexanitrohexaazaisowurtzitane. Chin J Energy Mater. 1999;7:100-2.
21. Xu X-J, Zhu W-H, Xiao H-M. DFT studies on the four polymorphs of crystalline CL-20 and the influences of hydrostatic pressure on ε-CL-20 crystal. J Phys Chem B. 2007;111:2090-7.
22. Chen H, Li L, Jin S, Chen S, Jiao Q. Effect of additives on ε-CL-20 crystal morphology and impact sensitivity. Propel Explos Pyrotech. 2010;35:1-6.
23. Chen H, Chen S, Liu J, Jin LS, Shi Y. Preparation of the spheroidized CL-20 crystals. Chinese Patent. 2010; CN 101624394, A20100113.
24. Doo KB. Spherical high-density 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12- hexaazaisowurzitane and preparation thereof. Korean Pat. KR 224043 B1. Dong Woon Specialty Chemical Co., Ltd; 1999.
25. Elbeih A, Husarová S. Zeman, path to ε-CL-20 with reduced impact sensitivity. Cent Eur J Energ Mater. 2011;8:173-82.
26. Li J, Brill TB. Kinetics of solid polymorphic phase transitions of CL-20. Propellants Explos Pyrotech. 2007;32(4):326-30.
27. Vyazovkin S, Burnham AK, Criado JM, Pérez-Maqueda LA, Popescu C, Sbirrazzuoli N. ICTAC kinetics committee recommendations for performing kinetic computations on thermal analysis data. Thermochim Acta. 2011;520:1-19.
28. Elena M. Determination of kinetic mechanisms for reactions measured with thermoanalytical instruments. J Therm Anal Calorim. doi: 10.1007/s10973-012- 2406-3.
29. Yan Q-L, Zeman S, Selesovsky J, Svoboda R, Elbeih A. Thermal behavior and decomposition kinetics of Formex-bonded explosives containing different cyclic nitramines. J Therm Anal Calorim. doi: 10.1007/s10973-012-2492-2.
30. Bayat Y, Hajimirsadeghi SS, Pourmortazavi SM. Statistical optimization of reaction parameters for the synthesis of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12- hexaazaisowurtzitane. J Therm Anal Calorim. doi: 10.1007/s10973-011-1845-6.
31. Criado JM, Pérez-Maqueda LA, Gotor FJ, Málek J, Koga N. A unified theory for the kinetic analysis of solid state reaction under any thermal pathway. J Therm Anal Calorim. 2003;72:901-6.
32. Málek J. Kinetic analysis of crystallization processes in amorphous materials. Thermochim Acta. 2000;355:239-53.
33. Málek J. The kinetic analysis of non-isothermal data. Thermochim Acta. 1992;200:257-69.
34. Svoboda R, Málek J. Interpretation of crystallization kinetics results provided by DSC. Thermochim Acta. 2011;526:237-51.
35. Khawam DR. Flanagan, solid-state kinetic models: basics and mathematical fundamentals. J Phys Chem B. 2006;110:17315-28.
36. Malek J, Criado JM, Šesták J, Malitký J. The boundary conditions for kinetic models. Thermochim Acta. 1989;153:429-32.
37. Korobko AP, Drozd SN, Milekhin YuM, Shishov NI, Lyubimenko TN, Beztuzheva TA, Krasheninikov SV, Levakova IV, Afanasyev ES. Solubility of nitramines in plasticizers of the energetic condensed systems. In: Sinditskii VP, Serushkin VV, Shepelov YuG, editors. Successes in special chemistry and chemical technology. Moscow: Ross. Khem.-Tekhnol. Univ. Mendeleeva; 2010. p. 250-254 (in Russia).
38. Manelis GB, Nazin GM, Prokudin VG. Dependence of thermal stability of energetic compounds on physicochemical properties of crystals. In: Sinditskii VP, Serushkin VV, Shepelov Yu G, editors. Successes in special chemistry and chemical technology. Moscow: Ross. Khem.-Tekhnol. Univ. Mendeleeva; 2010. p. 191-195.
39. Liu R, Zhou Z, Yin Y, Yang L, Zhang T. Dynamic vacuum stability test method and investigation on vacuum thermal decomposition of HMX and CL-20. Thermochim Acta. 2012;537:13-9.
40. Anfoni MF, Tomellini M. The Johnson-Mehl-Avrami-Kolmogorov model: a brief review. IL Nuove Cimento, vol 20 D(7-8); 1998. p. 1171-1182.
41. Zeman S, Elbeih A, Yan Q-L. Note on the use of the vacuum stability test in the study of initiation reactivity of attractive cyclic nitramines in Formex P1 matrix. J Therm Anal Calorim. doi: 10.1007/s10973-012-2487-z.
42. Qasim M, Fredrickson H, Honea P, Furey J, Leszczynski J, Okovytyy S, Szecsody J, Kholod Y. Prediction of CL-20 chemical degradation pathways, theoretical and experimental evidence for dependence on competing modes of reaction. SAR QSAR Environ Res. 2005;16(5):495-515.
43. Turcotte R, Vachon M, Kwok QSM, Wang R, Jones DEG. Thermal study of HNIW (CL-20). Thermochim Acta. 2005;433(1-2):105-15.
44. Dong L, Li X, Yang R. Thermal decomposition study of HNIW by synchrotron photoionization mass spectrometry. Propellants Explos Pyrotech. 2011;36:493-8.
45. Wang XH, Zhang G, Xie MZ, Liu N, Shao YH. Investigation on thermal decomposition of CL-20 by T-Jump/FTIR. J Solid Rocket Tech. 2010;6:675-9.
46. Balakrishnan VK, Halasz A, Hawari J. Alkaline hydrolysis of the cyclic nitramine explosives RDX, HMX, and CL-20: new insights into degradation pathways obtained by the observation of novel intermediates. Environ Sci Technol. 2003;37(9):1838-43.
47. Korolev VL, Pivina TS, Porollo AA, Petukhova TV, Sheremetev AB, Ivshin VP. Differentiation of the molecular structure of nitro compounds as the basis for simulation of their thermal destruction processes. Russ Chem Rev. 2009;78(10):945-69.
48. Geetha M, Nair UR, Sarwade DB, Gore GM, Asthana SN, Singh H. Studies on CL-20: the most powerful high energy material. J Therm Anal Calorim. 2003;73(3):913-22.
49. Yan Q-L, Zeman S. Theoretical evaluation of sensitivity and thermal stability for high explosives based on quantum chemistry methods: a brief review. Int J Quantum Chem. 2012;. doi: 10.1002/qua.24209.
50. Zeman S. New aspects of the impact sensitivity of polynitro compounds. Part IV. Allocation of polynitro compounds on the basis of their impact sensitivities. Propellants Explos Pyrotech. 2003;28:308-313.
51. Chovancova M, Zeman S. Study of initiation reactivity of some plastic explosives by vacuum stability test and non-isothermal differential thermal analysis. Thermochim Acta. 2007;460:67-76. Republic