Kinetics of solid polymorphic phase transitions of CL-20

Propellants, Explosives, Pyrotechnics

Volumn 32, Issue 4, 2007, Pages 326-330

  Li, Jun ^a   Brill, Thomas B ^a  

^a UNIVERSITY OF DELAWARE   (United States)

Author keywords

CL 20; Kinetics; Phase transitions; Polymorphism

Indexed keywords

ACTIVATION ENERGY; FUNCTION EVALUATION; PHASE TRANSITIONS; PRESSURE EFFECTS; REACTION KINETICS;

ISOCONVERSIONAL METHOD; LATTICE ENERGIES;

POLYMORPHISM;

EID: 34548388899     PISSN: 07213115     EISSN: 15214087     Source Type: Journal    
DOI: 10.1002/prep.200700036     Document Type: Article

References (33)

1. J. Bernstein, Polymorphism in Molecular Crystals, Oxford University Press, Oxford 2002.
2. T. B. Brill, F. Goetz, Laser Raman Study of the Thermal Decomposition of Solid Ammonium Perchlorate, J. Chem. Phys. 1976, 63, 1217.
3. T. B. Brill, R. J. Karpowicz, Solid Phase Transition Kinetics: The Role of Intermolecular Forces in the Condensed Phase Decomposition of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), J. Phys. Chem. 1982, 86, 4260.
4. B. F. Henson, B. W. Asay, R. K. Sander, S. F. Son, J. M. Robinson, P. M. Dickson, Dynamic Measurement of the HMX β-δ Phase Transition by Second Harmonic Generation, Phys. Rev. Lett. 1999, 82, 1213.
5. S. F. Son, B. W. Asay, B. F. Henson, R. K. Sander, A. N. Ali, P. M. Zielinski, D. S. Phillips, R. B. Schwarz, C. B. Skidmore, Dynamic Observation of a Thermally Activated Structure Change in 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB) by Second Harmonie Generation, J. Phys. Chem. B 1999, 103, 5434.
6. B. F. Henson, L. Smilowitz, B. W. Asay, P. M. Dickson, The β-δ Phase Transition in the Energetic Nitramine Octahydro-1,3,5,7-tetranitro-1,3,5, 7-tetrazocine: Thermodynamics, J. Chem. Phys. 2002, 117, 3780.
7. L. Smilowitz, B. F. Henson, B. W. Asay, P. M. Dickson, The β-δ Phase Transition in the Energetic Nitramine-Octahydro-1,3,5,7-tetranitro-1,3,5, 7-tetrazocine: Kinetics, J. Chem. Phys. 2002, 117, 3789.
8. L. Smilowitz, B. F. Henson, M. Greenfield, A. Sas, B. W. Asay, P. M. Dickson, On the Nucleation Mechanism of the β-δ Phase Transition in the Energetic Nitramine Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine, J. Chem. Phys. 2004, 121, 5550.
9. H. Czerski, M. W. Greenaway, W G. Proud, J. E. Field, β-δ Phase Transition during Dropweight Impact on Cyclotetramethylene- tetranitroamine, J. Appl. Phys. 2004, 96, 4131.
10. A. K. Burnham, R. K. Weese, B. L. Weeks, A Distributed Activation Energy Model of Thermodynamically Inhibited Nucleation and Growth Reactions and Its Application to the β-δ Phase Transition of HMX, J. Phys. Chem. B 2004, 108, 19432.
11. M. F Foltz, C. L. Coon, F Garcia, A. L. Nichols, The Thermal Stability of the Polymorphs of Hexanitrohexaazaisowurtzitane, Part I, Propellants, Explos., Pyrotech. 1994, 19, 19.
12. M. F. Foltz, C. L. Coon, F. Garcia, A. L. Nichols, The Thermal Stability of the Polymorphs of Hexanitrohexaazaisowurtzitane, Part II, Propellants, Explos., Pyrotech. 1994, 19, 133.
13. A. T. Nielsen, A. P. Chafin, S. L. Christian, D. W. Moore, M. P. Nadler, R. A. Nissan, D. J. Vanderah, R. D. Gilardi, C. F. George, J. L. Flippen-Anderson, Synthesis of Polyazapolycyclic Caged Polynitramines, Tetrahedron 1998, 54, 11793.
14. T. P. Russell, R. J. Miller, G. J. Piermarini, S. Block, High-Pressure Phase Transition in γ -Hexanitrohexaazaisowurtzitane, J. Phys. Chem. 1992, 96, 5509.
15. T. P. Russell, P. J. Miller, G. J. Piermarini, S. Block, Pressure/Temperature Phase Diagram of Hexanitrohexaazaisowurtzitane, J. Phys. Chem. 1993, 97, 1993.
16. S. Vyazovkin, C. A. Wight, Isothermal and Nonisothermal Reaction Kinetics in Solids: In Search of Ways toward Consensus, J. Phys. Chem. A 1997, 101, 8279.
17. S. Vyazovkin, C. A. Wight, Kinetics in Solids, Annu. Rev. Phys. Chem. 1997, 48, 125.
18. S. Vyazovkin, C. A. Wight, Isothermal and Non-Isothermal Kinetics of Thermally Stimulated Reactions of Solids, Int. Rev. Phys. Chem. 1998, 17, 407.
19. R. J. Karpowicz, T. B. Brill, Kinetic Data for Solid Phase Transitions by FT-IR Spectroscopy, Appl. Spectrosc. 1983, 37, 79.
20. H. Arisawa, T. B. Brill, Flash Pyrolysis of Polyethyleneglycol I: Chemometric Resolution of FTIR Spectra of the Volatile Products at 370-550°C, Combust. Flame 1997, 109, 87.
21. J. D. Dunitz, Phase Transitions in Molecular Crystals from a Chemical Viewpoint, Pure Appl. Chem. 1991, 63, 111.
22. J. D. Dunitz, J. Bernstein, Disappearing Polymorphs, Acc. Chem. Res. 1995, 28, 193.
23. E. Shalaev, G. Zografi, Interrelationships between Phase Transformations and Organic Chemical Reactivity in the Solid State, J. Phys. Org. Chem. 1996, 9, 729.
24. C. C. Chen, A. B. Herold, C. S. Johnson, A. P. Alivisatos, Size Dependence of Structural Metastability in Semiconductor Nanocrystals, Science (Washington, DC, U. S.) 1997, 276, 398.
25. J. F. Banfield, H. Z. Zhang, Nanoparticles in the Environment, in: J. F. Banfield, A. Navrotsky (Eds.), Nanoparticles and the Environment, Reviews in Mineralogy and Geochemistry, Vol. 44, Mineralogical Society of America and the Geochemical Society, Washington, DC 2001, Chapter 1.
26. B. Gilbert, H. Z. Zhang, F. Huang, M. P. Finnegan, G. A. Waychunas, J. F. Banfield, Special Phase Transformation and Crystal Growth Pathways Observed in Nanoparticles, Geochem. Trans. 2003, 4, 20.
27. J. L. Atwood, L. J. Barbour, A. Jerga, B. L. Schottel, Guest Transport in a Nonporous Organic Solid via Dynamic van der Waals Cooperativity, Science (Washington, DC, U. S.) 2002, 289, 1000.
28. D. C. Sorescu, B. M. Rice, D. L. Thompson, 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.
29. B. M. Rice, D. C. Sorescu, Assessing a Generalized CHNO Intermolecular Potential through Ab Initio Crystal Structure Prediction, J. Phys. Chem. B 2004, 108, 17730.
30. G. Zhou, J. Wang, W. D. He, N. B. Wong, A. M. Tain, W. K. Li, Theoretical Investigation of Four Conformations of HNIW by B3LYP Method, THEOCHEM 2002, 589-590, 213.
31. B. M. Rice, C. F. Chabalowski, Ab Initio and Nonlocal Density Functional Study of 1,3,5-Trinitro-s-triazine (RDX) Conformers, J. Phys. Chem. A 1997, 101, 8720.
32. G. D. Smith, R. K. Bharadwaj, Quantum Chemistry Based Force Field for Simulations of HMX, J. Phys. Chem. B 1999, 103, 3570.
33. J. P. Lewis, T. D. Sewell, R. B. Evans, G. A. Voth, Electronic Structure Calculation of the Structures and Energies of the Three Pure Polymorphic Forms of Crystalline HMX, J. Phys. Chem. B 2000, 104, 1009.