PREPEAKS AND 1ST SHARP DIFFRACTION PEAKS IN COMPUTER-SIMULATIONS OF STRONG AND FRAGILE IONIC LIQUIDS

被引:106
作者
WILSON, M
MADDEN, PA
机构
[1] Physical Chemistry Laboratory, Oxford University, Oxford OX1 3QZ, South Parks Road
关键词
D O I
10.1103/PhysRevLett.72.3033
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Computer simulations with polarizable anions are shown to reproduce the distinctive prepeak observed in diffraction studies of molten ZnCl2 and its mixtures with alkali chlorides. Two distinct origins for the peak in the microscopic structure of the melts are identified. The influence of alkali cation size on the observed behavior is explained. The relationship between the observation of prepeaks and the existence of network structures in strong ionic liquids is discussed.
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页码:3033 / 3036
页数:4
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