Removal of Heavy Metal Particles by LTJ, ANA, SVR, BEC and MER zeolites particles: A Molecular Dynamics Simulation Study

In present study, molecular dynamics simulation of Cadmium (II), Lead (II) and Copper (II) removal from aqueous electrolyte solutions using the ionexchange process with the zeolite particles was done. The results showed that, most of the particles had the highest affinity of ion exchanging with Lead (II) and the lowest affinity with Copper (II). The calculated mean ionexchange ratios showed that, except for the zeolites which their pore sizes are in the same range of heavymetal ions’ size, an inverse relationship exists between this ratios and pore size of the zeolites. Furthermore, the ionexchanging of zeolites LTJ, ANA, SVR, BEC and MER with aqueous electrolyte mixtures containing equal amounts of Cadmium (II), Lead (II) and Copper (II) were simulated. The results demonstrated that in the competitive exchange of electrolyte mixtures, the maximum mean ionexchange ratio belongs to the ion which has the highest ratio in the singleion system. Moreover, ionexchanging of zeolites LTJ, ANA, SVR, BEC and MER with an aqueous electrolyte solution containing Copper (II), in the temperature range of 300345 K were simulated. The results showed that, no significant change in the mean ionexchange ratios were found as a result of temperature variations.