Lead and mercury removal from aqueous solution using Sodium Dodecyl Sulfate micelles: A molecular dynamics study

Abstract Molecular dynamics simulations were used to study metal contaminants retention with surfactant molecules. Micelles of sodium dodecyl sulfate (SDS) anionic surfactants were constructed to investigate how those aggregates can hold lead (Pb) and mercury (Hg) ions from aqueous solutions. Lead nitrate (Pb(NO3)2) and mercury chloride (HgCl2) salts were used at various concentrations with different micelles sizes. Metal retention was analyzed in terms of radial density profiles, pair correlation functions and adsorption isotherms. Metal ions were trapped by the surfactant headgroups and in general the SDS micelles worked better for mercury.