Structure and dynamics of empty cages in xenon clathrate hydrate

Journal of Chemical Physics

Volumn 129, Issue 22, 2008, Pages

  Ikeda Fukazawa, Tomoko ^a   Yamaguchi, Yohei ^a   Nagashima, Kazushige ^a   Kawamura, Katsuyuki ^b  

^a MEIJI UNIVERSITY   (Japan)

^b TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DYNAMICS; FLOW INTERACTIONS; HYDRATES; HYDRATION; HYDROGEN; HYDROGEN BONDS; LATTICE VIBRATIONS; MOLECULAR DYNAMICS; PHASE EQUILIBRIA; QUANTUM CHEMISTRY;

ATTRACTIVE INTERACTIONS; CLATHRATE HYDRATES; DISTINCT STRUCTURES; EMPTY CAGES; LOCAL STRUCTURES; MACROSCOPIC PROPERTIES; MOLECULAR DYNAMICS CALCULATIONS; REPULSIVE INTERACTIONS; STRUCTURE AND DYNAMICS; TWO TYPES; VIBRATIONAL DENSITY OF STATES;

XENON;

EID: 57649195637     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3033550     Document Type: Article

References (42)

1. E. D. Sloan, Jr. and C. A. Koh, Clathrate Hydrate of Natural Gases, 3rd ed. (CRC, Boca Raton, FL, 2008).
2. L. Pauling, J. Am. Chem. Soc. 0002-7863 10.1021/ja01315a102 57, 2680 (1935).
3. M. von Stackelberg and H. R. Muller, Z. Elektrochem. 58, 25 (1954). 0002-7863
4. R. K. McMullan and G. A. Jeffrey, J. Chem. Phys. 0021-9606 10.1063/1.1703228 42, 2725 (1965).
5. F. Hollander and G. A. Jeffrey, J. Chem. Phys. 0021-9606 10.1063/1.433682 66, 4699 (1977).
6. J. H. Waals and J. C. Platteeuw, Adv. Chem. Phys. 2, 1 (1958).
7. D. W. Davidson, in Water-A Comprehensive Treatise, edited by, F. Franks, (Plenum, New York, 1972), Vol. 2, Chap..
8. H. Tanaka and K. Kiyohara, J. Chem. Phys. 0021-9606 10.1063/1.465045 98, 4098 (1993).
9. J. E. Bertie and S. M. Jacobs, Can. J. Chem. 0008-4042 10.1139/v77-249 55, 1777 (1977).
10. J. E. Bertie and S. M. Jacobs, J. Chem. Phys. 0021-9606 10.1063/1.444198 77, 3230 (1982).
11. F. Fleyfel and J. P. Devlin, J. Phys. Chem. 0022-3654 10.1021/j100314a013 92, 631 (1988).
12. J. S. Tse, B. M. Powell, V. F. Sears, and Y. P. Handa, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(93)85733-5 215, 383 (1993).
13. T. Ikeda-Fukazawa, T. Hondoh, H. Fukazawa, and S. Ikeda, J. Phys. Soc. Jpn. 70, 289 (2001). 0031-9015
14. J. S. Tse, V. P. Shpakov, V. R. Belosludov, F. Trouw, Y. P. Handa, and W. Press, Europhys. Lett. 0295-5075 10.1209/epl/i2001-00250-2 54, 354 (2001).
15. C. Gutt, J. Baumert, W. Press, J. S. Tse, and S. Janssen, J. Chem. Phys. 0021-9606 10.1063/1.1446426 116, 3795 (2002).
16. T. Ikeda, H. Fukazawa, S. Mae, T. Hondoh, and C. C. Langway, Jr., J. Phys. Chem. 101, 6180 (1997). 0022-3654
17. T. Ikeda, T. Uchida, and S. Mae, J. Chem. Phys. 0021-9606 10.1063/1.475508 108, 1352 (1998).
18. T. Ikeda, O. Yamamuro, T. Matsuo, K. Mori, S. Torii, T. Kamiyama, F. Izumi, S. Ikeda, and S. Mae, J. Phys. Chem. Solids 0022-3697 10.1016/S0022-3697(99)00165-1 60, 1527 (1999).
19. T. Ikeda, S. Mae, O. Yamamuro, T. Matsuo, S. Ikeda, and R. M. Ibberson, J. Phys. Chem. A 1089-5639 10.1021/jp001313j 104, 10623 (2000).
20. W. R. Parrish and J. M. Prausnitz, Ind. Eng. Chem. Process Des. Dev. 0196-4305 10.1021/i260041a006 11, 26 (1972).
21. I. L. Moudrakovski, A. A. Sanchez, C. I. Ratcliffe, and J. Ripmeester, J. Phys. Chem. B 1089-5647 10.1021/jp012419x 105, 12338 (2001).
22. D. K. Staykova, W. F. Kuhs, A. N. Salamatin, and T. Hansen, J. Phys. Chem. B 107, 10299 (2003). 1520-6106
23. J. A. McIntyre and D. R. Petersen, J. Chem. Phys. 0021-9606 10.1063/1.1701545 47, 3850 (1967).
24. Z. Huo, M. D. Jager, K. T. Miller, and E. D. Sloan, Jr., Chem. Eng. Sci. 57, 705 (2002). 0009-2509
25. J. S. Tse, W. R. McKinnon, and M. Marchi, J. Phys. Chem. 0022-3654 10.1021/j100299a047 91, 4188 (1987).
26. H. Tanaka, Y. Tamai, and K. Koga, J. Phys. Chem. B 101, 6560 (1997). 1520-6106
27. V. R. Belosludov and T. M. Inerbaev, O. S. Subbotin, R. V. Belosludov, J. Kudoh, and Y. Kawazoe, Journal of Supramolecular Chemistry 2, 453 (2002). 1472-7862
28. N. Kumagai, K. Kawamura, and T. Yokokawa, Mol. Simul. 12, 177 (1994). 0892-7022
29. T. Hashimoto, S. Sugawara, and Y. Hiwatari, J. Phys. Chem. 0022-3654 10.1021/jp963160z 101, 6293 (1997).
30. S. Horikawa, H. Itoh, J. Tabata, K. Kawamura, and T. Hondoh, J. Phys. Chem. 0022-3654 10.1021/jp9632100 101, 6290 (1997).
31. H. Itoh, K. Kawamura, T. Hondoh, and S. Mae, J. Chem. Phys. 0021-9606 10.1063/1.477100 109, 4894 (1998).
32. T. Ikeda-Fukazawa, S. Horikawa, T. Hondoh, and K. Kawamura, J. Chem. Phys. 0021-9606 10.1063/1.1495844 117, 3886 (2002).
33. T. Ikeda-Fukazawa, K. Kawamura, and T. Hondoh, Chem. Phys. Lett. 385, 467 (2004). 0009-2614
34. T. Ikeda-Fukazawa, K. Kawamura, and T. Hondoh, Mol. Simul. 30, 973 (2004). 0892-7022
35. T. Ikeda-Fukazawa and K. Kawamura, Chem. Phys. Lett. 417, 561 (2006). 0009-2614
36. P. H. Gammon, H. Klefte, and M. J. Clouter, J. Phys. Chem. 0022-3654 10.1021/j100244a004 87, 4025 (1983).
37. A. Rahman and F. H. Stillinger, J. Chem. Phys. 0021-9606 10.1063/1.1678874 57, 4009 (1972).
38. K. Kawamura, MXDORTO, Japan Chemistry Program Exchange, No. 029.
39. L. Verlet, Phys. Rev. 159, 98 (1967). 0031-899X
40. P. P. Ewald, Ann. Phys. 0003-3804 10.1002/andp.19213690304 64, 253 (1921).
41. M. J. Frisch and A. B. Nielsen, GAUSSIAN 03, Gaussian Inc., Pittsburgh, 2003.
42. E. Whalley, Can. J. Chem. 0008-4042 10.1139/v77-481 55, 3429 (1977).