Computer Simulation to Investigate Separation of Heavy Metal Ions by Sand/Graphene Oxide Column

Abstract

In this study, computer simulations were performed on ionic solutions containing heavy metal ions Pb(II), Cd(II) and As(III). The situation where these aqueous ions are retained through the sand/graphene oxide column is simulated. The sand/graphene oxide separation column is formed by the aggregation of constructed sand particles and graphene oxide (GO) molecular clusters. The process of ion aqueous solution flowing through the column is investigated and the mobility of each ion is evaluated. The simulation shows that adding GO to the sand can separate the heavy metal ions more effectively. The sequence of the mobility of the simulated heavy metal ions in the column is: As(III)>Cd(II)>Pb(II), which is consistent with the experimental results reported in the literature. We use simulation methods to study the electrostatic interaction between heavy metal ions and GO sheets. It is found that this interaction is an important factor in the separation of sand/GO column.