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

被引:11
作者
González, MA
Enciso, E
Bermejo, FJ
Jiménez-Ruiz, M
Bée, M
机构
[1] Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France
[2] Univ Complutense Madrid, Fac Ciencias Quim, Dept Quim Fis 1, E-28040 Madrid, Spain
[3] CSIC, E-28006 Madrid, Spain
[4] Univ Grenoble 1, Spectrometrie Phys Lab, UMR 5588, F-38402 St Martin Dheres, France
来源
PHYSICAL REVIEW E | 2000年 / 61卷 / 04期
关键词
D O I
10.1103/PhysRevE.61.3884
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
The frequency-dependent dielectric function of ethanol at temperatures within the normal liquid range is evaluated by means of computer molecular dynamics simulations and compared with recent experimental darn. The calculated spectra show a similar structure to those reported from experimental measurements and the temperature dependence of its most prominent bands also follows the experimental estimates. An attempt is also made to assign the most intense bands to specific molecular reorientations.
引用
收藏
页码:3884 / 3895
页数:12
相关论文
共 54 条
[1]   COMPUTER-SIMULATION OF POLAR LIQUIDS [J].
ADAMS, DJ ;
ADAMS, EM ;
HILLS, GJ .
MOLECULAR PHYSICS, 1979, 38 (02) :387-400
[2]  
Allen M. P., 1987, Computer Simulation of Liquids
[3]   COLLECTIVE EXCITATIONS IN LIQUID METHANOL - A COMPARISON OF MOLECULAR, LATTICE-DYNAMICS, AND NEUTRON-SCATTERING RESULTS [J].
ALONSO, J ;
BERMEJO, FJ ;
GARCIAHERNANDEZ, M ;
MARTINEZ, JL ;
HOWELLS, WS ;
CRIADO, A .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (10) :7696-7709
[4]   DIELECTRIC SPECTRA OF SOME COMMON SOLVENTS IN THE MICROWAVE REGION - WATER AND LOWER ALCOHOLS [J].
BARTHEL, J ;
BACHHUBER, K ;
BUCHNER, R ;
HETZENAUER, H .
CHEMICAL PHYSICS LETTERS, 1990, 165 (04) :369-373
[5]   Two glass transitions in ethanol: a comparative dielectric relaxation study of the supercooled liquid and the plastic crystal [J].
Benkhof, S ;
Kudlik, A ;
Blochowicz, T ;
Rossler, E .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1998, 10 (37) :8155-8171
[6]   Structural correlations in disordered matter: An experimental separation of orientational and positional contributions [J].
Bermejo, FJ ;
Criado, A ;
Fayos, R ;
FernandezPerea, R ;
Fischer, HE ;
Suard, E ;
Guelylah, A ;
Zuniga, J .
PHYSICAL REVIEW B, 1997, 56 (18) :11536-11545
[7]   THE DIELECTRIC-PROPERTIES OF ALCOHOLS WATER SOLUTIONS .1. THE ALCOHOL RICH REGION [J].
BERTOLINI, D ;
CASSETTARI, M ;
SALVETTI, G .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (01) :365-372
[8]   ERROR ANALYSIS IN COMPUTER-SIMULATIONS [J].
BISHOP, M ;
FRINKS, S .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (06) :3675-3676
[9]  
Brawer S., 1985, Relaxation in Viscous Liquids and Glasses
[10]  
CRIADO A, IN PRESS PHYS REV B