Study of vibrational spectra of interlayer water in sodium beidellite by molecular dynamics simulations

Journal of Physical Chemistry B

Volumn 108, Issue 35, 2004, Pages 13468-13474

  Suzuki, Satoru ^a,b   Kawamura, Katsuyuki ^a,c  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b INSTITUTE OF RESEARCH AND INNOVATION   (Japan)

^c TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

SMECTITE; VIBRATIONAL SPECTRA; WATER CLAY INTERACTION;

CLAY; COMPUTER SIMULATION; FOURIER TRANSFORMS; HYDRATION; HYDROGEN BONDS; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; WATER ANALYSIS;

SODIUM COMPOUNDS;

EID: 4444284431     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp047773k     Document Type: Article

References (30)

1. Sposito, G.; Prost, R. Chem. Rev. 1982, 82, 553.
2. Woessner, D. E.; Snowden, B. S., Jr. J. Colloid Interface Sci. 1969, 30, 54.
3. Farmer, V. C.; Russell, J. D. Trans. Faraday Soc. 1971, 67, 2737.
4. Prost, R. Ann. Agron. 1975, 26, 463.
5. Mamy, J. Ann. Agron. 1968, 19, 175.
6. Xu, W. C.; Johnston, T.; Parker, P.; Agnew, S. F. Clays Clay Miner. 2000, 48, 120.
7. Nakamoto, K.; Margoshes, M.; Rundle, R. E. J. Am. Chem. Soc. 1955, 77, 6480.
8. Aines, R. D.; Rossman, G. R. J. Geophys. Res. 1984, 89, 4059.
9. Refson, K.; Skipper, N. T.; McConnell, D. C. Geochemistry of Clay Pore Fluid Interactions; Chapman & Hall: London, 1993; p 62.
10. Skipper, N. T.; Refson, K.; McConnell, D. C. Geochemistry of Clay Pore Fluid Interactions; Chapman & Hall: London, 1993; p 40.
11. Chang, F.-R. C.; Skipper, N. T.: Sposito, G. Langmuir 1995, 11, 2734.
12. Ichikawa, Y.; Kawamura, K.; Nakano, M.; Kitayama, K.; Kawamura, H. Eng. Geol. 1999, 54, 21.
13. Kawamura, K.; Ichikawa, Y. Bull. Earthquake Res. Inst., Univer. Tokyo 2001, 76, 311.
14. Marry, V.; Turq, P.; Cartailler, T.; Levesque, D. J. Chem. Phys. 2002, 117, 3454.
15. Kumagai, N.; Kawamura, K.; Yokokawa, T. Mol. Simul. 1994, 12, 177.
16. Hu, J.; Xiao, X.-D.; Ogletree, D. F.; Salmeron, M. Science 1995, 205, 267.
17. Odelius, M.; Bernasconi, M.; Parrinello, M. Phys. Rev. Lett. 1997, 78, 2855.
18. MD simulation programs MXDTRICL and MXDORTOP were written by K. Kawamura. Details are found in refs 14, 15, and 19-21 and references therein.
19. Sato, H.; Yamagishi, A.; Kawamura, K. J. Phys. Chem. B. 2001, 105, 7990.
20. Tamura, K.; Kawamura, K. J. Phys. Chem. B 2002, 196, 271.
21. Sakuma, H.; Tsuchiya, T.; Kawamura, K.; Otsuki, K. Surf. Sci. 2003, 536, L396.
22. Strunz, H.; Nickel, E. H. Strunz Mineralogical Tables: Chemical-Structural Mineral Classification System, 9th ed.; Schweizebart, 2001.
23. Ohtaki, H.; Radnai, T. Chem. Rev. 1993, 93, 1157.
24. Kawamura, K. Manuscript in preparation.
25. Itoh, H.; Kawamura, K.; Hondoh, T.; Mae, S. J. Chem. Phys. 1998, 109, 4894.
26. Hollas, J. M. Modern Spectroscopy, 3rd ed.; John Wiley & Sons: New York, 1996.
27. Fu, M. H.; Zhang, Z. Z.; Low; P. F. Clays Clay Miner. 1990, 38, 485.
28. Handbook of Chemistry: Pure Chemistry, 4th ed.; Maruzen, 1993.
29. Mills, R. J. Phys. Chem. 1973, 77, 685.
30. Narten, A. H.; Danford, M. D.; Levy, H. A. Discuss. Faraday Soc. 1969, 43, 97.