MOLECULAR THEORY OF UNDERDAMPED DIELECTRIC-RELAXATION - UNDERSTANDING COLLECTIVE EFFECTS IN DIPOLAR LIQUIDS

被引:12
作者
BAGCHI, B [1 ]
CHANDRA, A [1 ]
机构
[1] UNIV BRITISH COLUMBIA, DEPT CHEM, VANCOUVER V6T 1Z1, BC, CANADA
关键词
D O I
10.1016/0301-0104(93)80135-V
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A molecular theory of underdamped dielectric relaxation of a dense dipolar liquid is presented. This theory properly takes into account the collective effects that are present (due to strong intermolecular correlations) in a dipolar liquid. For small rigid molecules, the theory again leads to a three-variable description which, however, is somewhat different from the traditional version. In particular, two of the three parameters are collective in nature and are determined by the orientational pair correlation function. A detailed comparison between the theory and the computer simulation results of Neria and Nitzan is performed and an excellent agreement is obtained without the use of any adjustable or free parameter - the calculation is fully microscopic. The theory can also provide a systematic description of the Poley absorption often observed in dipolar liquids in the high-frequency regime.
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页码:133 / 141
页数:9
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