화학공학소재연구정보센터
Chemical Physics Letters, Vol.374, No.5-6, 556-561, 2003
Mode-coupling on the calculation of the anomalous pressure effect ionic conductivity of molten LiBr
The pressure dependence of the ionic conductivity of molten lithium bromide is calculated by the mode-coupling theory. The required equilibrium structure is obtained by the hypernetted-chain integral equation. The pressure dependence of the molar ionic conductivity shows a maximum value, which is consistent with an experiment. The conductivity slightly exceeds the value predicted by the Nernst-Einstein equation, which is also consistent with a molecular dynamics simulation and an experiment. (C) 2003 Elsevier Science B.V. All rights reserved.