Molecular approach to the interpretation of the dielectric relaxation spectrum of a molecular glass former

Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics

Volumn 61, Issue 4, 2000, Pages 3884-3895

  Gonzalez M A ^a   Enciso, E ^b   Bermejo, F J ^c   Jimenez Ruiz M ^c   Bee M ^d  

^a INSTITUT LAUE LANGEVIN   (France)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^c CSIC   (Spain)

^d LIPHY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; MOLECULAR DYNAMICS; TEMPERATURE DISTRIBUTION;

CALCULATED SPECTRUM; DIELECTRIC RELAXATION SPECTRA; FREQUENCY-DEPENDENT DIELECTRIC FUNCTION; MOLECULAR APPROACH; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR GLASS FORMER; MOLECULAR REORIENTATION; TEMPERATURE DEPENDENCE;

DIELECTRIC RELAXATION;

EID: 0038208651     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.61.3884     Document Type: Article

References (54)

1. S. Brawer, Relaxation in Viscous Liquids and Glasses (The American Ceramic Society, Columbus Ohio, 1985).
2. E. Donth, Relaxation and Thermodynamics in Polymers (Akademie Verlag, Berlin, 1992); see
3. D. Kirkpatrick and D. Thirumalai, Phys. Rev. A 40, 1045 (1989).
4. E. W. Fischer, Physica A 201, 183 (1993)
5. A. Schönhals , Phys. Rev. Lett. 70, 3459 (1993).
6. M. A. Miller, M. Jiménez-Ruiz, and F. J. Bermejo, Phys. Rev. B 57, 13 977 (1998)
7. Phys. Rev. BM. Jiménez-Ruiz, M. A. González, F. J. Bermejo, M. A. Miller, N. O. Birge, I. Cendoya, and A. Alegría, 59, 9155 (1999).
8. S. K. Garg and C. P. Smyth, J. Phys. Chem. 69, 1294 (1965).
9. J. Barthel, K. Bachhuber, R. Buchner, and H. Hetzenauer, Chem. Phys. Lett. 165, 369 (1990)
10. Chem. Phys. Lett.W. R. Fawcet, 199, 153 (1992).
11. F. Stickel, E. W. Fischer, and R. Richert, J. Chem. Phys. 104, 2043 (1996).
12. J. T. Kindt and C. A. Schmuttenmaer, J. Phys. Chem. 100, 10 373 (1996).
13. H. Versmold, Ber. Bunsenges. Phys. Chem. 78, 1318 (1974).
14. B. M. Fung and T. W. McGaughy, J. Chem. Phys. 65, 2970 (1976).
15. T. Eguchi, G. Soda, and H. Chihara, Mol. Phys. 40, 681 (1980).
16. Z. Zheng, C. L. Mayne, and D. M. Grant, J. Magn. Reson. Sec. A 103, 268 (1993).
17. R. Ludwig and M. D. Zeidler, Mol. Phys. 82, 313 (1994)
18. R. Ludwig, M. D. Zeidler, and T. C. Farrar, Z. Phys. Chem. (Leipzig) 189, 19 (1995).
19. M. P. Janelli, S. Magazú, P. Migliardo, F. Aliotta, and E. Tettamanti, J. Phys.: Condens. Matter 8, 8157 (1996).
20. A. Srinivasan, F. J. Bermejo, A. de Andrés, J. Dawidowski; J. Zúñiga, and A. Criado, Phys. Rev. B 53, 8172 (1996)
21. R. Fayos, F. J. Bermejo, J. Dawidowski, H. E. Fischer, and M. A. González, Phys. Rev. Lett. 77, 3823 (1996)
22. F. J. Bermejo, A. Criado, R. Fayos, R. Fernández-Perea, H. E. Fischer, E. Suard, A. Guelylah, and J. Zúñiga, Phys. Rev. B 56, 11 536 (1997).
23. M. A. Ramos, S. Vieira, F. J. Bermejo, J. Dawidowski, H. E. Fischer, H. Schober, M. A. González, C. K. Loong, and D. L. Price, Phys. Rev. Lett. 78, 82 (1997).
24. C. Talón, M. A. Ramos, S. Vieira, G. J. Cuello, F. J. Bermejo, A. Criado, M. L. Senent, S. M. Bennington, H. E. Fischer, and H. Schober, Phys. Rev. B 58, 745 (1998).
25. O. Haida, H. Suga, and S. Seki, J. Chem. Thermodyn. 9, 1133 (1977).
26. S. Benkhof, A. Kudlik, T. Blochowicz, and E. Rössler, J. Phys.: Condens. Matter 10, 8155 (1998).
27. M. A. González, E. Enciso, F. J. Bermejo, and M. Bée, J. Chem. Phys. 110, 8045 (1999).
28. M. A. González, E. Enciso, F. J. Bermejo, and M. Bée, Phys. Rev. B (to be published).
29. W. L. Jorgensen, J. Phys. Chem. 90, 1276 (1986).
30. B. D. Smith and R. Srivastava, Thermodynamic Data for Pure Compounds (Elsevier, Amsterdam, 1985).
31. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, Oxford, 1987).
32. J. P. Ryckaert, Mol. Phys. 55, 549 (1985).
33. D. J. Adams, E. M. Adams, and G. J. Hills, Mol. Phys. 38, 387 (1979).
34. J. Alonso, F. J. Bermejo, M. García-Hernández, J. L. Martínez, W. S. Howells, and A. Criado, J. Chem. Phys. 96, 7696 (1992).
35. O. Steinhauser, Mol. Phys. 45, 335 (1982).
36. L. Perera, U. Essmana, and M. L. Berkowitz, J. Chem. Phys. 102, 450 (1995).
37. P. H. Hünenberger and W. F. van Gunsteren, J. Chem. Phys. 108, 6117 (1998).
38. M. Neumann, Mol. Phys. 50, 841 (1983)
39. Mol. Phys.M. Neumann, O. Steinhauser, and G. S. Pawley, 52, 97 (1984).
40. The errors in the static dielectric constant were calculated from the error in (Formula presented), which was evaluated using the appropriate expression for the variance of correlated data following M. Bishop and S. Frinks, J. Chem. Phys. 87, 3675 (1987).
41. L. Saiz, J. A. Padró, and E. Gukrdia, J. Phys. Chem. B 101, 78 (1997);L. Saiz, Ph. D. Thesis, University of Barcelona, 1998.
42. D. van der Spoel, P. J. van Maaren, and J. C. Berendsen, J. Chem. Phys. 108, 10 220 (1998).
43. T. Fonseca and B. M. Ladanyi, J. Chem. Phys. 93, 8148 (1990).
44. M. S. Skaf, T. Fonseca, and B. Ladanyi, J. Chem. Phys. 98, 8929 (1993).
45. P. Höchtl, S. Boresch, W. Bitomsky, and O. Steinhauser, J. Chem. Phys. 109, 4927 (1998).
46. P. Jedlovszky and J. Richardi, J. Chem. Phys. 110, 8019 (1999).
47. G. Salvetti, in Hydrogen-bonded Liquids, edited by J. C. Dore and J. Teixeira, Vol. 329 of NATO Advanced Studies Institute, Series C (Reidel, Dordrecht, 1991).
48. S.-G. Su and J. D. Simon, J. Chem. Phys. 89, 908 (1988).
49. M. Jimenez-Ruiz, A. Criado, F. J. Bermejo, G. J. Cuello, F. R. Trouw, R. Fernández-Perea, H. Löwen, C. Cabrillo, and H. E. Fischer, Phys. Rev. Lett. 83, 2757 (1999).
50. J. McConell, The Theory of Nuclear Magnetic Relaxation in Liquids (Cambridge University Press, Cambridge, 1987), p. 183.
51. A. Criado, M. Jiménez-Ruiz, C. Cabrillo, F. J. Bermejo, R. Fernández-Perea, H. E. Fischer, and F. R. Trouw, Phys. Rev. B (to be published).
52. M. A. González (unpublished).
53. D. Bertolini, M. Cassettari, and G. Salvetti, J. Chem. Phys. 78, 365 (1983).
54. W. Dannhauser and L. W. Bahe, J. Chem. Phys. 40, 3058 (1964).