1.4 研究目的及大纲

本章的研究综述已经说明压力在热力学中是一个重要的变量，可导致材料发生各种相变。同时受压力和温度作用时相变行为会更活跃。压力或温度引发的相变可极大程度地影响含能材料的特性。因此，表征极端条件下的含能材料所有晶型结构都十分重要。本研究的目的在于：

（1）研究压力、压力和温度对含能材料的多种晶型的影响。

（2）在实验过程中鉴定和表征新晶型。

（3）探究高压相变材料是否能在常压回收，进一步设想在室温常压下是否能获取高性能含能材料。

第3章将描述结合振动光谱和粉末X射线衍射表征高温/高压RDX多晶型，还将描述室压下高度亚稳定晶型的结构。第4章探究不同传压介质下的CL-20的高压相变行为。第5章和第6章描述了在一系列压力和温度条件影响下无机叠氮化物的结构表征。每一部分都含有对相关研究的展望。第7章为全书总结以及对极端条件下含能材料研究的展望。

参考资料

1.J.Akhavan, The Chemistry of Explosives, Royal Society of Chemistry, Cambridge, UK,2004,2nd edn.

2.J.Bottaro, Ideas to Expand Thinking About New Energetic Materials, in Overviews of Recent Research on Energetic Materials, R.W.Shaw, T.B.Brill, and D.L.Thompson, Editors,2005, World Scientific Publishing Co., Singapore.

3.M.H.V.Huynh, M.A.Hiskey, T.J.Meyer, and M. Wetzler, Proc.Nat.Acad.Sci.USA,2006,103,5409.

4.M.H.V.Huynh, M.D.Coburn, T.J.Meyer, and M. Wetzler, Proc.Nat.Acad.Sci.USA,2006,103,10322.

5.R.L. Simpson, P.A. Urtiew, D.L. Ornellas, G.L. Moody, K.J.Scribner, and D.M.Hoffman, Propellants, Explos., Pyrotech.,1997,22,249.

6.P.E.Eaton, R.L.Gilardi, and M.X.Zhang, Adv.Mater., 2000,12,1143.

7.U.Bemm and H.Ostmark, Acta Cryst.,1998, C54,1997.

8.J.P.Agrawal, Prog.Energy Combust.Sci.,1998,24,1.

9.P.F.Pagoria, G.S.Lee, A.R.Mitchell, and R.D. Schmidt, Thermochim.Acta,2002,384,187.

10.D.M.Badgujar, M.B.Talawar, S.N.Asthana, and P. P.Mahulikar, J.Hazard.Mater.,2008,151,289.

11.J.Bernstein, Polymorphism in Molecular Crystals, Clarendon Press, Oxford, UK,2002.

12.J.J.Dick, J.Phys.IV,1995,5,103.

13.SciFinder Scholar,2007, American Chemical Society.

14.S.Rosenstein and P.P.Lamy, Am.J.Hosp.Pharm., 1969,26,598.

15.D.Giron, Pharm.Sci.Technol.Today,1998,1,191.

16.T.L.Threlfall, Analyst,1995,120,2435.

17.G.P.Stahly, Cryst.Growth Des.,2007,7,1007.

18.P.R.Unwin, Faraday Discuss.,2007,136,409.

19.A.J.Matzger, Cryst.Growth Des.,2008,8,2.

20.F.Grepioni, N ew J.Chem.,2008,32,1657.

21.A.D.Bond, Curr.Opin.Solid State Mater.Sci.,2009, 13,91.

22.C.Frondel and U.B.Marvin, Nature,1967,214,587.

23.H.W.Kroto, J.R.Heath, S.C.O'Brien, R.F.Curl, and R.E.Smalley, Nature,1985,318,162.

24.P.R.Buseck, J.T.Semeon, and R.Hettich, Science, 1992,257,215.

25.S.Iijima, Nature,1991,354,56.

26.M.Monthioux and V.L.Kuznetsov, Carbon,2006,44,1621.

27.W.Ostwald, Z.Phys.Chem.,1897,22,289.

28.W.McCrone, Polymorphism, in Physics and Chemistry of the Organic Solid, D.Fox, M.M.Labes, and A.Weissberger, Editors, ,1965.Wiley Interscience, New York, USA.

29.D.Braga, F.Grepioni, and L.Maini, Chem.Commun., 2010,46,6232.

30.E.S.Hedges and J.Y.Higgs, Nature,1952,169,621.

31.A.D.Styrkas, Inorg.Mater.,2003,39,683.

32.M.Gilberg, AICCM Bulletin,1991,17,3.

33.O.L.Erdmann, J.Prakt.Chem.,1851,52,428.

34.T.von Fritzsche, Comptes Rendus,1868,67,1106.

35.E.Cohen and C.van Eijk, Z.Phys.Chem.,1899,30,601.

36.E.Cohen and K.D.Dekker, Z.Phys.Chem.,1927，127,178.

37.W.J.Plumbridge, Circuit World,2007,33,9.

38.D.Di Maio and C.Hunt, J.Mater.Sci:Mater.Electron., 2009,20,386.

39.D.Di Maio and C. Hunt, J.Electron.Mater.,2009, 38,1874.

40.S.T.Beckett, Science of Chocolate, Royal Society of Chemistry, Cambridge, UK,2008,2nd edn.

41.R.N.M.R.van Gelder, N.Hodgson, K.J.Roberts, A. Rossi, M.Wells, M.Polgreen, and I.Smith,Crystallization and polymorphism in cocoa butter fat:in-situ studies using synchrotron radiation x-ray diffraction inCrystal Growth of Organic Materials,1995, Washington, D.C., USA.

42.K.Sato, Chem.Eng.Sci.,2001,56,2255.

43.S.D.MacMillan, K.J.Roberts, A.Rossi, M.A.Wells, M.C.Polgreen, and I.H.Smith, Cryst.Growth Des., 2002,2,221.

44.J.M.Miller, B.M.Collman, L.R.Greene, D.J.W. Grant, and A.C.Blackburn, Pharm.Dev.Technol.,2005, 10,291

45.S.R.Chemburkar, J.Bauer, K.Deming, H.Spiwek, K. Patel, J.Morris, R.Henry, S.Spanton, W.Dziki, W. Porter, J. Quick, P. Bauer, J. Donaubauer, B. A. Narayanan, M.Soldani, D.Riley, and K.McFarland, Or g.Process Res.Dev.,2000,4,413.

46.S.R.Vippagunta, H.G.Brittain, and D.J.W.Grant, Adv.Drug Delivery Rev.,2001,48,3.

47.H.H.Cady, A.C.Larson, and D.T.Cromer, Acta Cryst.,1963,16,617.

48.R.E.Cobbledick and R.W.H.Small, Acta Cryst.,1974, B30,1918.

49.P.Main, R.E.Cobbledick, and R.W.H.Small, Acta Cryst.,1985, C41,1351.

50.S.J.P.Palmer and J.E.Field, Proc.R.Soc.London, Ser.A,1982,383,399.

51.O.Reany, M.Kapon, M.Botoshansky, and E.Keinan, Cryst.Growth Des.,2009,9,3661.

52.F.Wallerant, C.R.Hebd.Seances Acad.Sci.,1903, 137,805.

53.C.S. Choi, H.J. Prask, and E. Prince, J.Ap p l. Crystallogr.,1980,13,403.

54.C.Boyars, Ind.Eng.Chem., Prod.Res.Dev.,1976, 15,308.

55.H.Nagao, K.G.Nakamura, K.Kondo, N.Ozaki, K. Takamatsu, T. Ono, T. Shiota, D. Ichinose, K. A. Tanaka, K. Wakabayashi, K. Okada, M. Yoshida, M. Nakai, K.Nagai, K.Shigemori, T.Sakaiya, and K.Otani, Phys.Plasmas,2006,13,052705.

56.J. H. Eggert, D.G. Hicks, P.M. Celliers, D.K. Bradley, R.S.McWilliams, R.Jeanloz, J.E.Miller, T. R.Boehly, and G.W.Collins, Nat.Phys.,2010,6,40.

57.S.A.Moggach, S.Parsons, and P.A.Wood, Crystallogr. Rev.,2008,14,143.

58.P.W.Bridgman, The Physics of High Pressure, Bell and Sons, London, UK,1931.

59.P.W.Bridgman, J.Chem.Phys.,1937,5,964.

60.P.W.Bridgman, Proc.R.Soc.London Ser.A,1950,203, 1.

61.P.W. Bridgman, Proc.Am.Acad.Arts Sci.,1952, 81,167.

62.A.Katrusiak, Acta Cryst.,2008, A64,135.

63.R.M.Hazen and R.T.Downs, eds.Reviews in Mineralogy and Geochemistry, Vol.41:High-Temperature and High-Pressure Crystal Chemistry,2000, Mineralogical Society of America, Washington, D.C., USA.

64.U.Schwarz, Z.Kristallogr.,2009,219,376.

65.M.I.McMahon and R.J.Nelmes, Chem.Soc.Rev.,2006, 35,943.

66.O.Degtyareva, High Pressure Res.,2010,30,343.

67.E. Gregoryanz, O. Degtyareva, M. Somayazulu, R.J. Hemley, and H. K. Mao, Phys. Rev. Lett., 2005, 94,185502.

68.E.Gregoryanz, L.F.Lundegaard, M.I.McMahon, C. Guillaume, R.J.Nelmes, and M.Mezouar, Science,2008, 320,1054.

69.Y.Ma, M.Eremets, A.R.Oganov, Y.Xie, I.Trojan, S. Medvedev, A.O.Lyakhov, M.Valle, and V.Prakapenka, Nature,2009,458,182.

70.Y.A.Freiman and H.J.Jodl, Phys.Rep.,2004,401,1.

71. L. F. Lundegaard, G. Weck, M. I. McMahon, S. Desgreniers, and P.Loubeyre, Nature,2006,443,201.

72.S.Desgreniers, Y.K.Vohra, and A.L.Ruoff, J.Phys. Chem.,1990,94,1117.

73.K.Shimizu, K.Suhara, M.Ikumo, M.I.Eremets, and K.Amaya, Nature,1998,393,767.

74.E.Boldyreva, Cryst.Growth Des.,2007,7,1662.

75.E.Boldyreva, Acta Cryst.,2008, A64,218.

76. S. Moggach and S. Parsons, CrystEngComm, 2010, 12,2515.

77.P.T.C.Freire, Pressure-Induced Phase Transitions in Crystalline Amino Acids.Raman Spectroscopy and X-Ray Diffraction, in High- Pressure Crystallography, E. Boldyreva and P.Dera, Editors,2010, Springer Netherlands.

78.A.Dawson, D.R.Allan, S.A.Belmonte, S.J.Clark，W.I.F.David, P.A. McGregor, S. Parsons, C.R. Pulham, and L. Sawyer, Cryst. Growth Des., 2005，5,1415.

79.E.V.Boldyreva, H. Ahsbahs, and H.P. Weber, Z. Kristallogr.,2003,218,231.

80.S.Moggach, T.Bennett, and A.Cheetham, Angew.Chem. I nt.E d.,2009,48,7087.

81.A.Gavezzotti, Z.Kristallogr.,2005,220,499.

82.P.A.Wood, R.S.Forgan, D.Henderson, S.Parsons, E. Pidcock, P.A.Tasker, and J.E.Warren, Acta Cryst., 2006, B62,1099.

83.P.A.Wood, D.Francis, W.G.Marshall, S.A.Moggach, S.Parsons, E.Pidcock, and A.L.Rohl, CrystEngComm, 2008,10,1154.

84.R.D.L.Johnstone, D.Francis, A.R.Lennie, W.G. Marshall, S.A.Moggach, S.Parsons, E.Pidcock, and J. E.Warren, CrystEngComm,2008,10,1758.

85.R.D.L.Johnstone, M.Ieva, A.R.Lennie, H.McNab, E.Pidcock, J.E.Warren, and S.Parsons, CrystEngComm, 2010,12,2520.

86.M.Podsiadlo, K.Dziubek, and A.Katrusiak, Acta Cryst., 2005, B61,595.

87.G.J.Piermarini, A.D.Mighell, C.E. Weir, and S. Block, Science,1969,165,1250.

88.D.R.Allan, S.J.Clark, A.Dawson, P.A.McGregor, and S.Parsons, Acta Cryst.,2002, B58,1018.

89.I.D.H.Oswald, D.R.Allan, G.M.Day, W.D.S. Motherwell, and S.Parsons, Cryst.Growth Des.,2005, 5,1055.

90.I.D.H.Oswald, D.R.Allan, W.D.S.Motherwell, and S.Parsons, Acta Cryst.,2005, B61,69.

91.D.R.Allan, W.G.Marshall, D.J.Francis, I.D.H. Oswald, C.R.Pulham, and C.Spanswick, Dalton Trans., 2010,39,3736.

92.F.P.A.Fabbiani, D.R.Allan, A.Dawson, W.I.F. David, P.A.McGregor, I.D.H.Oswald, S.Parsons, and C.R.Pulham, Chem.Commun.,2003,39,3004.

93.F.P.A.Fabbiani, D.R.Allan, W.I.F.David, S.A. Moggach, S.Parsons, and C.R.Pulham, CrystEngComm, 2004,6,504.

94.F.P.A.Fabbiani, D.R.Allan, W.G.Marshall, S. Parsons, C.R. Pulham, and R.I. Smith, J. Cryst. Growth,2005,275,185.

95.E.Girard, A.C.Dhaussy, B.Couzinet, J.C.Chervin, M. Mezouar, R.Kahn, I.Ascone, and R.Fourme, J.Ap p l. Crystallogr.,2007,40,912.

96.R.Fourme, E.Girard, R.Kahn, A.C.Dhaussy, and I. Ascone, Annu.Rev.Biophys.,2009,38,153.

97.E.Girard, R.Fourme, R.Ciurko, J.Joly, F.Bouis, P. Legrand, J.Jacobs, A.C. Dhaussy, J.L. Ferrer, M.Mezouar, and R. Kahn, J.Appl. Crystallogr.,2010, 43,762.

98.A.Aertsen, F.Meersman, M.E.G.Hendrickx, R.F. Vogel, and C. W. Michiels, Trends Biotechnol., 2009, 27,434.

99.I.Daniel, P.Oger, and R.Winter, Chem.Soc.Rev.,2006, 35,858.

100.A.C.Oliveira, A.M.O.Gomes, S.M.B.Lima, R. B.Goncalves, W.D.Schwarcz, A.C.B.Silva, J.R. Cortines, and J.L.Silva, Effects of Hydrostatic Pressure on Viruses, in High- Pressure Microbiology, C. W. Michiels, D.H.Bartlett, and A.Aertsen, Editors,2008, ASM Press, Herndon, VA, USA.

101.T.Otake, T.Kawahata, H.Mori, Y.Kojima, and K. Hayakawa, Appl.Microbiol.Biotechnol.,2005,67,746.

102.C.Pribenszky, M.Molnar, A.Horvath, G.Kutvolgyi, A. Harnos, O.Szenci, J.Dengg, and J.Lederer, Reprod. Fertil.Dev.,2007,19,181.

103.G.S.Li, C.K.Bai, J.Duan, C.L.Peng, K.N.Weng, and S.D. Liu, Chin.J. High Press.Phys.,2003, 17,122.

104.I.Oey, M.Lille, A.Van Loey, and M.Hendrickx, Trends Food Sci.Technol.,2008,19,320.

105.J.Gimenez, P.Kajda, L.Margomenou, J.R.Piggott, and I.Zabetakis, J.Sci.Food Agric.,2001,81,1228.

106.L.W.Murchie, M.Cruz - Romero, J.P.Kerry, M. Linton, M.F.Patterson, M.Smiddy, and A.L.Kelly, Innovative Food Sci.Emerg.Technol.,2005,6,257.

107.S.Yamamoto, K.Takanohashi, T.Hara, S.Odani, A. Suzuki, and T.Nishiumi, J.Phys.Conf.Ser.,2010，215,012170.

108.H.K.Chan and E.Doelker, Drug Dev.Ind.Pharm., 1985,11,315.

109.V.V.Boldyrev, J.Mater.Sci.,2004,39,5117.

110.F.P.A.Fabbiani and C.R.Pulham, Chem.Soc.Rev., 2006,35,932.

111.A.Llinàs and J.M.Goodman, Drug Discovery Today, 2008,13,198.

112.M.Haisa, S.Kashino, R.Kawai, and H.Maeda, Acta Cryst.,1976, B32,1283.

113.D. Y. Naumov, M. A. Vasilchenko, and J. A. K. Howard, Acta Cryst.,1998, C54,653.

114.G.Nichols and C.S.Frampton, J.Pharm.Sci.,1998, 87,684.

115.M.Haisa, S.Kashino, and H.Maeda, Acta Cryst.,1974, B30,2510.

116.P.Di Martino, P.Conflant, M.Drache, J.P.Huvenne, and A.M.Guyot-Hermann, J.Therm.Anal.Calorim., 1997,48,447.

117.J.C.Burley, M.J.Duer, R.S.Stein, and R.M.Vrcelj, Eur.J.Pharm.Sci.,2007,31,271.

118.M.A.Perrin, M.A.Neumann, H.Elmaleh, and L. Zaske, Chem.Commun.,2009,45,3181.

119.S.Gaisford, A.B.M.Buanz, and N.Jethwa, J.P harm. Biomed.Anal.,2010,53,366.

120.P.Di Martino, A.M.Guyot-Hermann, P.Conflant, M. Drache, and J.C.Guyot, Int.J.Pharm.,1996,128,1.

121.E.Boldyreva, T.Shakhtshneider, H.Ahsbahs, H.Sowa，and H. Uchtmann, J.Therm.Anal.Calorim.,2002，68,437.

122.M.Lang, A.L.Grzesiak, and A.J.Matzger, J.Am. Chem.Soc.,2002,124,14834.

123.J.S.Capes and R.E.Cameron, Cryst.Growth.Des., 2006,7,108.

124.J.R.Mendez del Rio and R.W.Rousseau, Cryst.Growth Des.,2006,6,1407.

125.J.S.Capes and R.E.Cameron, CrystEngComm,2007, 9,84.

126.I.D.H.Oswald, I.Chataigner, S.Elphick, F.P.A. Fabbiani, A.R.Lennie, J.Maddaluno, W.G.Marshall, T. J. Prior, C. R. Pulham, and R. I. Smith, CrystEngComm,2009,11,359.

127.Y.B.Zel'dovich and Y.P.Raiser, Physics of Schockwave and High Temperature Hydrodynamics Phenomena, Academic Press, New York, USA,1966.

128.P. Politzer and J. S. Murray, eds.Theoretical and Computational Chemistry,Vol. 13:Energetic Materials,Part 2:Detonation,Combustion,2003, Elsevier.

129.R.W.Shaw, T.B.Brill, and D.L.Thompson, eds. Advanced Series in Physical Chemistry, Vol.16:Overviews of Recent Research on Energetic Materials,2005, World Scientific Publishing Co., Singapore.

130.S.M.Peiris and G.J.Piermarini, eds.Shock Wave and High Pressure Phenomena:Static Compression of Energetic Materials,2008, Springer, Berlin-Heidelberg, Germany.

131.L.E.Fried, M.R.Manaa, and J.P.Lewis, Modeling the Reactions of Energetic Materials in the Condensed Phase, in Overviews of Recent Research on Energetic Materials, R.W. Shaw, T.B.Brill, and D.L.Thompson, Editors,2005, World Scientific Publishing Co., Singapore.

132.B.M. Rice, Applications of Theoretical Chemistry in Assessing Energetic Materials for Performance or Sensitivity, in Overviews of Recent Research on Energetic Materials, R. W.Shaw, T.B.Brill, and D.L.Thompson, Editors, 2005, World Scientific Publishing Co., Singapore.

133.D.D.Dlott, Annu.Rev.Phys.Chem.,1999,50,251.

134.F.Goetz, T.B.Brill, and J.R. Ferraro, J.Phys. Chem.,1978,82,1912.

135.J.C.Gump and S.M.Peiris, J.Appl.Phys.,2005, 97,053513.

136.T.D.Sewell, R.Menikoff, D.Bedrov, and G.D.Smith, J.Chem.Phys.,2003,119,7417.

137.D.C.Sorescu and B.M.Rice, J.Phys.Chem.C,2010, 114,6734.

138.C. S. Yoo and H. Cynn, J. Chem. Phys., 1999, 111,10229.

139.D.E.Hooks, D.B.Hayes, D.E.Hare, D.B.Reisman, K.S.Vandersall, J.W.Forbes, and C.A.Hall, J. Appl.Phys.,2006,99,124901.

140.L.Y.Lu, D.Q.Wei, X.R.Chen, G.F.Ji, X.J. Wang, J.Chang, Q.M.Zhang, and Z.Z.Gong, Mo l. Phys.,2009,107,2373.

141.L.Y.Lu, D.Q.Wei, X.R.Chen, D.Lian, G.F.Ji, Q.M. Zhang, and Z.Z. Gong, Mol. Phys., 2008, 106,2569.

142.W.Zhu, X.Zhang, T.Wei, and H.Xiao, Theor.Chem. Acc.,2009,124,179.

143.H.L.Cui, G.F.Ji, X.R.Chen, W.H.Zhu, F.Zhao, Y.Wen, and D.Q.Wei, J.Phys.Chem.A,2009, 114,1082.

144.H.L.Cui, G.F.Ji, X.R.Chen, Q.M.Zhang, D.Q. Wei, and F.Zhao, J.Chem.Eng.Data,2010,55,3121.

145.J.Evers, T.M.Klapötke, P.Mayer, G.Oehlinger, and J. Welch, Inorg.Chem.,2006,45,4996.

146.M.J.Crawford, J.Evers, M.Göbel, T.Klapötke, P. Mayer, G.Oehlinger, and J.Welch, Propellants, Explos., P yrotech.,2007,32,478.

147.S.M.Peiris, C.P.Wong, and F.J.Zerilli, J.Chem. Phys.,2004,120,8060.

148.A.J.Davidson, D.R.Allan, I.D.H.Oswald, C.R. Pulham, F. P. A. Fabbiani, D. J. Francis, W. G. Marshall, R.I.Smith, A.S.Cumming, A.R.Lennie, and T.J.Prior,High-pressure structural studies of energetic ammonium compounds in 38thInternational Annual Conference of ICT,Energetic Materials:Characterisation and Performance of Advanced Systems,2007, Karlsruhe, Germany.

149.D.M.Adams and S.K.Sharma, J.Chem.Soc., Faraday Trans.2,1976,72,2069.

150.F.W.Sandstrom, P.A.Persson, and B.Olinger, AI P Conf.Proc.,1994,309,1409.

151.T.B.Brill and F.Goetz, in Papers in Aeronautics and Astronautics, T.L.Boggs and B.T.Zinn, Editors,1978, AIAA, Reston, VA, USA.

152.S.M.Peiris, G.I.Pangilinan, and T.P.Russell, J. Phys.Chem.A,2000,104,11188.

153.T.P.Russell, G.J.Piermarini, S.Block, and P.J. Miller, J.Phys.Chem.,1996,100,3248.

154.D.I.A.Millar, C.Barry, D.J.Francis, A.K.Kleppe, W.G. Marshall, H.E. Maynard - Casely, I.D. H.Oswald, C. R. Pulham, P. A. Szilagyi, and A. S. Cumming, manuscript in preparation,2010.