Water ordering around methane during hydrate formation

Journal of Chemical Physics

Volumn 113, Issue 15, 2000, Pages 6390-6397

  Koh, Carolyn A ^a   Wisbey, Robert P ^a   Wu, Xiaoping ^a   Westacott, Robin E ^a,c   Soper, Alan K ^b  

^a KING'S COLLEGE LONDON   (United Kingdom)

^b RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^c UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPOSITION EFFECTS; COMPUTER SIMULATION; CRYSTALLIZATION; HYDRATION; METHANE; MOLECULAR STRUCTURE; NEUTRON DIFFRACTION; NUMERICAL METHODS; PHASE EQUILIBRIA; SUBSTITUTION REACTIONS; THERMODYNAMICS; WATER;

HYDRATE FORMATION; ISOTOPIC SUBSTITUTION; SOLVATION; SOLVENT SEPARATION;

STRUCTURE (COMPOSITION);

EID: 0034296128     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1288818     Document Type: Article

References (39)

1. R. K. McMullen and G. A. Jeffrey, J. Chem. Phys. 42, 2725 (1965).
2. E. Hammerschmidt, Ind. Eng. Chem. 26, 851 (1934).
3. K. Kvenvolden, Rev. Geophys. 31, 173 (1993).
4. J. R. Bontha and D. I. Kaplan, Environ. Sci. Technol. 33, 1051 (1999).
5. J. H. van der Waals and J. C. Platteeuw, Adv. Chem. Phys. 2, 1 (1947).
6. H-J. Ng and D. B. Robinson, AIChE J. 23, 477 (1977).
7. F. Hollander and G. A. Jeffrey, J. Chem. Phys. 66, 4699 (1977).
8. R. K. McMullan and A. Kvick, Acta Crystallogr. Sect. B: Struct. Sci. 46, 390 (1990).
9. J. A. Ripmeester, J. S. Tse, C. I. Ratcliffe, and B. M. Powell, Nature (London) 325, 135 (1987).
10. J. Long, J. Lederhos, A. Sum, R. Christiansen, and E. D. Sloan, Proceedings of the 73rd Annual GPA Conference, New Orleans, LA, 85 (1994).
11. R. Kobayashi, GRI Final Report, GRI-92/0526 (1994).
12. C. A. Koh, E. Muller, J. A. Zollweg, K. E. Gubbins, and J. L. Savidge, Ann. (N.Y.) Acad. Sci. 715, 561 (1994).
13. H. S. Frank and W-Y. Wen, Discuss. Faraday Soc. 24, 133 (1957).
14. D. N. Glew, J. Phys. Chem. 66, 605 (1962).
15. G. Nemethy and H. A. Scheraga, J. Chem. Phys. 36, 3382 (1962); 36, 3401 (1962).
16. G. Nemethy and H. A. Scheraga, J. Chem. Phys. 36, 3382 (1962); 36, 3401 (1962).
17. D. L. Beveridge, M. Mezei, S. Swaminathan, and S. L. Harrison, ACS Symp. Ser. 86, 191 (1978).
18. Dec and J. Gill, J. Solution Chem. 14, 417 (1985).
19. N. T. Skipper, Chem. Phys. Lett. 207, 424 (1993).
20. R. L. Mancera, A. D. Buckingham, and N. T. Skipper, J. Chem. Soc., Faraday Trans. 93, 2263 (1997).
21. A. Ben-Naim, Hydrophobic Interactions (Plenum, New York, 1980).
22. E. C. Meng and P. A. Kollman, J. Phys. Chem. 100, 11460 (1996).
23. L. Lue and D. Blankschtein, J. Phys. Chem. 96, 8582 (1992).
24. C. H. Bridgeman, A. D. Buckingham, and N. T. Skipper, Chem. Phys. Lett. 253, 209 (1996).
25. N. Matubayasi and R. M. Levy, J. Phys. Chem. 100, 2681 (1996).
26. T. Head-Gordon, Proc. Natl. Acad. Sci. USA 92, 8308 (1995).
27. B. Guillot and Y. Guissani, J. Chem. Phys. 99, 8075 (1993).
28. P. L. Chau and R. L. Mancera, Mol. Phys. 96, 109 (1999).
29. P. H. K. de Jong, J. E. Wilson, G. W. Neilsen, and A. D. Buckingham, Mol. Phys. 91, 99 (1997).
30. D. T. Bowron, A. Filipponi, M. A. Roberts, and J. L. Finney, Phys. Rev. Lett. 81, 4164 (1998).
31. A. K. Soper and J. L. Finney, Phys. Rev. Lett. 71, 4346 (1993).
32. R. D. Broadbent and G. W. Neilson, J. Chem. Phys. 100, 7543 (1994).
33. A. K. Soper and A. Luzar, J. Phys. Chem. 100, 1357 (1996).
34. A. K. Soper, W. S. Howells, and W. C. Hannon, Analysis of Time-of-Flight Diffraction Data from Liquid and Amorphous Samples (Rutherford Appleton Laboratory, Didcot, Oxon, May 1989).
35. A. K. Soper, Chem. Phys. 202, 295 (1996). Originally this technique was called "Empirical Potential Monte Carlo, EPMC," but the name was later changed to better emphasize the purpose of the procedure.
36. H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. 91, 6269 (1987).
37. S. Lüdemann, H. Schreiber, R. Abseher, and O. Steinhauser, J. Chem. Phys. 104, 286 (1996).
38. G. D. Hummer, S. Garde, A. E. Garcia, M. E. Paulaitis, and L. R. Pratt, J. Phys. Chem. B 102, 10469 (1998).
39. J. Z. Turner, A. K. Soper, and J. L. Finney, J. Chem. Phys. 102, 5438 (1995).