A molecular dynamics study of the influence of ionic charge distribution on the dynamics of a molten salt.
The distribution of charge in an ion of a fused salt is known to be an important determinant of liquid dynamics. However, the details of this relationship remain poorly understood. We present the results of molecular dynamics simulations on a model molten salt system and show that changes in the distribution of ionic charge can have a profound effect on liquid dynamics. In particular, we observe complex relationships between the distribution of charge, the rate of ionic rotation, and the translational diffusion of ions in the liquid.
Li
Hualin
H
Department of Chemistry, Brooklyn College, Graduate Center of the City University of New York, 2900 Bedford Ave., Brooklyn, New York 11210, USA.
Kobrak
Mark N
MN