A theory of electrical conductivity of non-equivalent molten salts |
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Authors: | Shigeki Matsunaga Takahiro Koishi Shigeru Tamaki |
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Affiliation: | 1. Nagaoka National College of Technology , Nagaoka, 940-8532, Japan matsu@nagaoka-ct.ac.jp;3. Innovative Nanopatterning Research Laboratory , RIKEN, Hirosawa 2-1, Wako, 351-0198, Japan;4. Department of Physics , Faculty of Science, Niigata University , Niigata, 950-2181, Japan |
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Abstract: | 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 σ+/σ? is equal to |z +|m ? /|z ? |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. |
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Keywords: | Partial conductivity Langevin equation Non-equivalent molten salt Molecular dynamics |
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