Molecular simulations using the method of molecular dynamics have been carried out to determine the possibility of studying ion exchanges between electrolyte solutions (here an aqueous LiCl solution) and an ion-exchange membrane (NaA zeolite) using direct simulations of upto a nanosecond. Our results show that with appropriate driving forces, such ion-exchange processes can be clearly witnessed and investigated using molecular simulations. We have also attempted to understand the phenomenon at the molecular level. Our results have shown that the ion-exchange process is energetically driven and entropic forces are not playing any significant role in the exchanges observed. (C) 2003 Elsevier Science B.V. All rights reserved.