Adsorption of phenol molecules by sodium dodecyl sulfate (SDS) surfactants deposited on solid surfaces: A computer simulation study

• Phenol adsorption on surfactant-modified surfaces were carried out.
• Three solid-modified surfaces by sodium dodecyl sulfate surfactant were studied.
• Molecular dynamics studies were used to investigate phenol on the surfactant micelle.

Adsorption studies of phenol molecules on a sodium dodecyl sulfate (SDS) micelle were investigated by molecular dynamics simulations. Simulations were carried out in bulk and on three distinct solid surfaces, silicon dioxide, titanium dioxide and graphite. It was observed that different surfactant micellar shapes were formed on the surfaces. For the silicon dioxide and titanium dioxide surfaces the surfactants were adsorbed by their headgroups whereas for the graphite surface they were adsorbed mainly by their tail groups. It was found that the amount of phenol adsorbed on the SDS micelle was altered by the surfactant shape deposited on the solid surface. However, the best phenol adsorption was obtained by the surfactant modified silicon dioxide surface. Moreover, in all cases, from structural investigations, it was determined that the phenol molecules were located inside the surfactant micelle with their hydroxyl groups close to the SDS headgroups.

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