Mode-coupling analysis of the translational and rotational diffusion of polar liquids; Acetonitrile and water

Journal of Molecular Liquids

Volumn 112, Issue 3, 2004, Pages 117-124

  Yamaguchi, T ^a,c   Chong, S H ^b,d   Hirata, F ^a  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^c NAGOYA UNIVERSITY   (Japan)

^d UNIV MONTPELLIER   (France)

Author keywords

Acetonitrile; Diffusion; Interaction site model; Mode coupling theory; Reorientational relaxation; Water

Indexed keywords

COMPUTATION THEORY; COMPUTER SIMULATION; COOLING; DIFFUSION; GLASS TRANSITION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; TENSORS; VECTORS; WATER;

INTERACTION SITE MODELS; LANGEVIN THEORY; MODE COUPLING THEORY; REORIENTATIONAL RELAXATION;

ACETONITRILE;

EID: 2342466120     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molliq.2003.09.019     Document Type: Article

References (27)

1. Wakai C., Nakahara M. J. Chem. Phys. 100:1994;8347.
2. Nienhuys H.-K., van Santen R.A., Bakker H.J. J. Chem. Phys. 112:2000;8487.
3. Yamaguchi T., Chong S.-H., Hirata F. J. Chem. Phys. 116:2002;2502.
4. Chong S.-H., Hirata F. Phys. Rev. E. 57:1998;1690.
5. Chong S.-H., Hirata F. Phys. Rev. E. 58:1998;7296.
6. Chong S.-H., Hirata F. J. Chem. Phys. 111:1999;3083.
7. Fabbian L., Latz A., Schlling R., Sciortino F., Tartaglia P., Theis C. Phys. Rev. E. 60:1999;5768.
8. Theis C., Sciortino F., Latz A., Schilling R., Fabbian L. Phys. Rev. E. 62:2000;1856.
9. Chong S.-H., Hirata F. Phys. Rev. E. 58:1998;6188.
10. Chong S.-H., Götze W. Phys. Rev. E. 65:2002;041503.
11. Berendsen H.J.J.C., Grigera J.R., Straatsma T.P. J. Phys. Chem. 91:1987;6269.
12. Edwards D.M., Madden P.A., McDonald I.R. Mol. Phys. 51:1984;1141.
13. Hurle R.L., Woolf L.A. J. Chem. Soc. Faraday Trans. 78:1982;2233.
14. Chong S.-H., Götze W., Singh A.P. Phys. Rev. E. 63:2001;11206.
15. Matubayasi N., Nakahara M. J. Phys. Chem. 100:1999;3291.
16. Allen M.P., Tildesley D.J. Computer Simulation of Liquids. 1987;Oxford University Press, New York.
17. Hirata F., Rossky P.J. Chem. Phys. Lett. 83:1981;329.
18. Hirata F., Pettitt B.M., Rossky P.J. J. Chem. Phys. 77:1982;509.
19. Cummings P.T., Stell G. Mol. Phys. 44:1981;529.
20. Rossky P.J., Pettit B.M., Stell G. Mol. Phys. 50:1983;1263.
21. Verlet L. Phys. Rev. 165:1968;201.
22. Boon J.P., Yip S. Molecular Hydrodynamics. 1980;McGraw-Hill, New York.
23. Yamaguchi T., Kimura Y., Hirota N. Mol. Phys. 94:1998;527.
24. van der Spoel D., van Maaren P.J., Berendsen H.J.C. J. Chem. Phys. 108:1998;10220. and references therein.
25. Miyazaki K., Srinivas G., Bagchi B. J. Chem. Phys. 114:2001;6276.
26. Sciortino F., Kob W. Phys. Rev. Lett. 86:2001;648.
27. Yamaguchi T., Hirata F. J. Chem. Phys. 117:2002;2216.