Conductivity of molten sodium chloride in an arbitrarily weak dc electric field.
We use nonequilibrium molecular-dynamics (NEMD) simulations to characterize the response of a fluid subjected to an electric field. We focus on the response for very weak fields. Fields accessible by conventional NEMD methods are typically of the order of 10(9) V m(-1), i.e., several orders of magnitude larger than those typically used in experiments. Using the transient time-correlation function, we show how NEMD simulations can be extended to study systems subjected to a realistic dc electric field. We then apply this approach to study the response of molten sodium chloride for a wide range of dc electric fields.
Delhommelle
Jerome
J
Department of Chemical Engineering, Vanderbilt University, Nashville, Tennesee 37235-1604, USA. jerome.delhommelle@vanderbilt.edu
Cummings
Peter T
PT
Petravic
Janka
J