A theory of electrical conductivity of non-equivalent molten salts

被引:2
|
作者
Matsunaga, Shigeki [1 ]
Koishi, Takahiro
Tamaki, Shigeru
机构
[1] Nagaoka Natl Coll Technol, Nagaoka, Niigata 9408532, Japan
[2] RIKEN, Innovat Nanopatterning Res Lab, Wako, Saitama 3510198, Japan
[3] Niigata Univ, Fac Sci, Dept Phys, Niigata 9502181, Japan
关键词
partial conductivity; langevin equation; non-equivalent molten salt; molecular dynamics;
D O I
10.1080/08927020701370638
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
The electrical conductivity of non-equivalent molten salts has been theoretically investigated based on the linear response theory, which is an extension from the expression for equivalent molten salts as we have developed in the previous papers. The velocity correlation functions are expressed in terms of pair potentials and pair distribution functions. Using these functions and Langevin equations for ions, the relations among the conductivity coefficients are obtained. It is shown that the ratio of partial conductivities sigma(+)/sigma(-) 2 is equal to vertical bar z(+)broken vertical bar m(-) /vertical bar z(-) vertical bar m(+), which is an extensive expression from the inverse mass ratio in the case of equivalent molten salts. Numerical results for molten CaCl2 and AlF3 are presented, which agree well with the results of experiments and molecular dynamics simulations.
引用
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页码:613 / 621
页数:9
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