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Available data on the kinetics of polymorphic transitions (PTs) in energetic compounds under isothermal conditions are summarized and discussed. It is shown that the general kinetic regularities of these processes (stepwise and continuous regimes) depend on their topotactic mode (frontal or quasi-homogeneous, respectively). In reverse PTs, a nucleation stage is not observed, which is explained by the presence of nuclei of the low-temperature polymorph in the preheated sample. The influence of mechanical effects on the kinetics of PTs in molecular crystals is discussed.
Rocznik
Tom
Strony
483--504
Opis fizyczny
Bibliogr. 41 poz., rys., tab.
Twórcy
autor
- Institute of Problems of Chemical Physics of Russian Academy of Sciences, Semenov av. 1, Chernogolovka, Moscow region, 142432, Russia
autor
- Institute of Problems of Chemical Physics of Russian Academy of Sciences, Semenov av. 1, Chernogolovka, Moscow region, 142432, Russia
autor
- Institute of Problems of Chemical Physics of Russian Academy of Sciences, Semenov av. 1, Chernogolovka, Moscow region, 142432, Russia
autor
- Institute of Problems of Chemical Physics of Russian Academy of Sciences, Semenov av. 1, Chernogolovka, Moscow region, 142432, Russia
autor
- Institute of Problems of Chemical Physics of Russian Academy of Sciences, Semenov av. 1, Chernogolovka, Moscow region, 142432, Russia
Bibliografia
- [1] Wemhoff A., Burnham A, Nichols A. III, Application of Global Kinetic Models to HMX β – δ Transition and Cookoff Processes, J. Phys. Chem. A, 2007, 111(9), 1575-1584.
- [2] Nedelko V., Chukanov N., Raevskii A., Korsounskii B., Larikova T., Kolesova O., Volk F., Comparative Investigation of Thermal Decomposition of Various Modifications of Hexanitrohexaazaaisowurtzitane (CL-20), Propellants Explos. Pyrotech., 2000, 25, 255-259.
- [3] Brill T., Karpowitz R., 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, J. Phys. Chem., 1982, 86(21), 4260-4265.
- [4] Karpowitz R., Brill T., Kinetic Data for Solid Phase Transitions by Fourier Transform Infrared Spectroscopy, Applied Spectroscopy, 1983, 37(1), 79-81.
- [5] Xue С., Sun J., Song G., Kang B., Xia Y., Kinetics of the β → δ Isothermal Phase Transition of HMX Based on Quantitative Phase Analysis Using the Rietveld Method, Explosion and Shock Waves (in Chinese), 2010, 30(2), 113-118.
- [6] Smilowitz L., Henson B., Asay B., Dickson P., 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(8), 3789-3798.
- [7] Henson B., Smilowitz L., Asay B., Dickson P., 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(8), 3780-3788.
- [8] Burnham A., Weese R., Weeks B., 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(50), 19432-19441.
- [9] Levitas V., Henson B., Smilowitz L., Asay B., Solid-solid Phase Transformation via Virtual Melting Significantly Below the Melting Temperature, Phys. Rev. Lett., 2004, 92(23), 235702-1/235702-4.
- [10] Weese R, Maienschein J., Perrino C., Kinetics of the β → δ Solid–solid Phase Transition of HMX, Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine, Thermochim. Acta, 2003, 401(1), 1-7.
- [11] Foltz M., Coon C., Garcia F., Nichols A. III, Thermal Stability of the Polymorphs of Hexanitrohexaazaisowurtzitane, Part I, Propellants Explos. Pyrotech., 1994, 19(1), 19-25.
- [12] Burnham A., Weese R., Wang R., Kwok Q., Jones D., Solid-solid Phase Transition Kinetics of FOX-7, Proc. NATAS Annu. Conf., Universal City, CA, USA, 2005, 1-8.
- [13] Brandon L., Weeks R., Ruddle C., Zaug J., Cook D., Monitoring High-temperature Solid-solid Phase Transitions of HMX with Atomic Force Microscopy, Ultramicroscopy, 2002, 93, 19-23.
- [14] Smilowitz L., Henson B., Greenfield M., Sas A., Asay B., Dickson P., 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(11), 5550-5552.
- [15] Li J., Brill T., Kinetics of Solid Polymorphic Phase Transitions of CL-20, Propellants Explos. Pyrotech., 2007, 32(4), 326-330.
- [16] Flandrois S., Cinetique de Changements de Phase à l’etat Solide (Kinetics of Phase Transformations in Solid State), J. Chim. Phys., 1974, 71(6), 979-991.
- [17] Nielsen A.T., Chafin A.P., Christian S.L., Moore D.W., Nadler M.P., Nissan R.A., Vanderah D.J., Synthesis of Polyazapolycyclic Caged Polynitramines, Tetrahedron, 1998, 54, 11793-11812.
- [18] Chukanov N., Zakharov V., Chervonnyi A., Vozchikova S., Korsounskii B., Kinetics of Reversible Polymorphic Transitions in High-energy Compounds. Phase Transformations in Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine, Russ. J. Phys. Chem. B, 2014, 8(5), 641-650.
- [19] Latypov N.V., Johansson M., Holmgren E., Sizova E.V., Sizov V.V., Bellamy A.J., On the Synthesis of 1,1-Diamino-2,2-dinitroethene (FOX-7) by Nitration of 4,6-Dihydroxy-2-methylpyrimidine, Organic Process Research & Development, 2007, 11(1), 56-59.
- [20] Russell T., Miller P., Piermarini G., Pressure/Temperature Phase Diagram of Hexanitrohexaazaizowurzitene, J. Phys. Chem., 1993, 97(9), 1993-1997.
- [21] Golovina N., Utenyshev A., Bozhenko K., Chukanov N., Zakharov V., Korsounskii B., The Energy Parameters of 2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12- hexaazaisowurtzitane Polymorphs and their Phase Transitions, Russ. J. Phys. Chem. A., 2009, 83(7), 1153-1159.
- [22] Golovina N., Raevskii A., Chukanov N., Korsounskii B., Shilov G., Atovmyan L., Aldoshin S., Density of Crystals of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12- hexaazaisowurzitane, a Potential Ligand (in Russian), Rossiyskiy Khimicheskiy Zhurnal, 2004, 48(1), 41-48.
- [23] Bernstein J., Polymorphism in Molecular Crystals, Claredon Press, Oxford, 2002, p. 428; ISBN 0198506058.
- [24] Taylor A., Atwood D., Physicochemical Principles of Pharmacy, Pharmaceutical Press, London, 2011, p. 510; ISBN 0853699844.
- [25] Lempert D., Chukanov N., On the Use of Energetic Compounds Containing Small Molecules Occluded in the Structural Cavities of the Crystal, Combustion, Explosion, and Shock Waves (Engl. Transl.), 2014, 50(2), 238-241.
- [26] Chukanov N., Golovina N., Nedelko V., Dubikhin V., Vozchikova S., Ananyina O., Larikova T., Nazin G., Korsounskii B., Aldoshin S., Volk F., Phase Transitions in Hexanitrohexaazaisowurtzitane, 32nd Int. Annu. Conf. ICT, Karlsruhe, Germany, 2001, 101/1-101/9.
- [27] Chukanov N., Raevskii A., Golovina N., Aldoshin S., Korsounskii B., Nedelko V., Dubikhin V., Volk F., Kushnarenko I., On the Kinetics and Mechanism of Phase Transformations in Hexanitrohexaazaisowurtzitane. The Role of Water, Microstraining and Dislocations, 33th Annu. Conf. ICT, Karlsruhe, Germany, 2002, 105/1-105/12.
- [28] Chukanov N., Korsounskii B., Nedelko V., Zakharov V., Golovina N., Raevskii A., Vozchikova S., Ananyina O., Larikova T., Aldoshin S., Kinetics of Dehydration and Phase Transitions in Hexanitrohexaazaisowurtzitane: Effect of Particle Sizes, 37th Int. Annu. Conf. ICT, Karlsruhe, Germany, 2006, 29/1-29/12.
- [29] Chukanov N., Dubikhin V., Raevskii A., Golovina N., Korsounskii B., Nedelko V., Aldoshin S., Kinetics and Mechanism of Polymorphous Transition in Polycrystalline ε-Hexanitrohexaazaisowurtzitane, Russ. J. Phys. Chem. A, 2006, 80(2), 281-287.
- [30] Chukanov N., Zakharov V., Korsounskii B., Raevskii A., Nedelko V., Vozchikova S., Larikova T., Golovina N., Aldoshin S., The Kinetics of the Polymorphic Transition of the α-form of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane, Russ. J. Phys. Chem. A, 2009, 83(1), 29-33.
- [31] Chukanov N., Dubovitskii V., Zakharov V., Golovina N., Korsounskii B., Vozchikova S., Nedel’ko V., Larikova T., Raevskii A., Aldoshin S., Phase Transformations of 2,4,6,8,10,12-Hexanitrohexaazaisowurtzitane: the Role Played by Water, Dislocations, and Density, Russ. J. Phys. Chem. B, 2009, 3(3), 486-493.
- [32] Crawford M.-J., Evers J., Göbel M., Klapötke T., Mayer P., Oehlinger G., Welch J., γ-FOX-7: Structure of a High Energy Density Material Immediately Prior to Decomposition, Propellants Explos. Pyrotech., 2007, 32(6), 478-495.
- [33] Zakharov V., Korsunskii B., Kinetics of the β → δ Structural Reorganization in 1,3,5,7-tetranitrooctahydro-1,3,5,7-tetrazocine, Russ. Chem. Bull., 2011, 60(7), 1436-1439.
- [34] Zakharov V., Chukanov N., Chervonnyi A., Vozchikova S., Korsounskii B. Kinetics of Reversible Polymorphic Transition in Energetic Materials. Phase Transitions α → Β and Β → α in 1,1-Diamino-2,2-dinitroethylene, Russ. J. Phys. Chem. B, 2014, 8(6), 822-828.
- [35] Karpowicz R., Brill T., The β → δ Transformation of HMX: Its Thermal Analysis and Relationship to Propellants, AIAA J., 1982, 20(11), 1586-1591.
- [36] Saw C., Kinetics of HMX and Phase Transitions: Effects of Grain Size at Elevated Temperature, 12th Symp. Int. Detonation, San Diego, California, USA, 2002, Published by Office of Naval Research, 2005, 70-76.
- [37] Kempa P., Herrmann M., Metzger F., Thome V., Kjellström A., Latypov N., Phase Transitions of FOX-7 Studied by X-ray Diffraction and Thermal Analysis, 35th Int. Annu. Conf. ICT, Karlsruhe, Germany, 2004, 71.1-71.15.
- [38] Grigoriev D., Onthogeny of Minerals, Israel Program for Scientific Translations, Jerusalem, 1965, p. 250.
- [39] Evers J., Klapötke T., Mayer P., Oehlinger G., Welch J., α- and β-FOX-7, Polymorphs of a High Energy Density Material, Studied by X-ray Single Crystal and Powder Investigations in the Temperature Range from 200 to 423 K, Inorg. Chem., 2006, 45(13), 4996-5003.
- [40] Main P., Cobbledick R., Small R., Structure of the Fourth Form of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (γ-HMX), 2C4H8N8O8·0.5H2O, Acta Crystallogr., 1985, C41, 1351-1354.
- [41] Deyun E., Chukanov N., Korsounskii B., A Kinetic Model of the Structural Transformation of a Molecular Crystal Initiated by the Escape of Mobile Defects, Russ. J. Phys. Chem., 2011, 5(1), 33-40.
Uwagi
Opracowanie ze środków MNiSW w ramach umowy 812/P-DUN/2016 na działalność upowszechniającą naukę.
Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-95bc92b4-e092-486a-8d45-04b11baf5aaa