Molecular dynamics study of ion transfer across the Nitrobenzene-Water interface:Small,Large and Asymmetrical Ion Transfer

摘要

Ion transfer across the interface between the two immiscible electrolyte solutions is a fundamental process in diverse fields.However the details of the process in the molecular level are not fully understood.To get a microscopic view for the ion transfer across the liquid-liquid interface,the transfer of a small,a large and a asymmetrical ion across the nitroben-zene(NB)-water(W) liquid-liquid interface has been studied using molecular dynamics(MD) calculations.