Lattice Dynamical Simulation of Guest-Host Interaction in N2 Clathrate Hydrate
Received Date:
March 11, 2008
Published Date:
June 30, 2008
Abstract
We perform the lattice dynamical simulation studies of hydrate host lattice interacting with Xe, Ar, and N2 atoms/molecules. The calculated results show that the well-defined peaks (2.0meV and 3.8meV) and another peak (6.2meV) are assigned to the vibrations of N2 molecules in large and small cages, respectively. It is confirmed that the double N2 molecule occupancies of large cage lead to filling of the mode gap between the small cage and the large cage.
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References
[1]
Stackelberg M V and M\"uller H R 1954 Z. Elektrochem. 5825
[2]
Itoh H, Tse J S and Kawamura K 2001 J. Chem. Phys. 1159414
[3]
Chazallon B, Itoh H, Koza M, Kuhs W F and Schober H 2002 Phys.Chem. Chem. Phys. 4 4809
[4]
Dong S L, Wang Y and Li J C 2001 Chem. Phys. 270 309
[5]
Schober H, Itoh H, Klapproth A, Chihaia V and Kuhs W F 2003 Eur. Phys. J. E 12 41
[6]
Baumert J, Gutt C, Press W, Tse J S and Janssen S May 2001 Proc. 4th International Conference on Gas Hydrates (Yokohama 2001) p687
[7]
Chazallon and Kuhs W F 2002 J. Chem. Phys. 117 308
[8]
Mak T C and McMullanR K 1965 J. Chem. Phys. 42 2732
[9]
Bernal J D and Fowler R H 1933 J. Chem. Phys. 1 515
[10]
Jorgensen W L et al 1983 J. Chem. Phys. 79926
[11]
Allen M P and Tildesley D J 1989 Computer Simulation ofLiquids (Oxford: Clarendon) p 21
[12]
Bagchi B and Chandra A 1990 Phys. Rev. Lett. 64 455
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Cite this article:
LIU Zheng-Bo, DONG Shun-Le, WANG Lin. Lattice Dynamical Simulation of Guest-Host Interaction in N2 Clathrate Hydrate[J]. Chin. Phys. Lett. , 2008, 25(7): 2680-2682.
LIU Zheng-Bo, DONG Shun-Le, WANG Lin. Lattice Dynamical Simulation of Guest-Host Interaction in N2 Clathrate Hydrate[J]. Chin. Phys. Lett. , 2008, 25(7): 2680-2682.
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