Effect of conventional and Gemini surfactants on the micellar-enhanced ultrafiltration process performance for the separation of Au(III) from aqueous solutions: A dissipative particle dynamics study

Dissipative particle dynamics (DPD) simulation was used to investigate the self-assembled structure of dodecyl trimethyl ammonium bromide (DTAB) and Gemini hexamethylene-1, 6-bis (dodecyl dimethyl ammonium bromide) (12-6-12) surfactants in the aqueous solution. The influence of simulation time and surfactant concentration was studied as the effective parameters on the formation of micelles. The results indicate that by increasing the sur-factant concentration, the micellar clusters deform to spherical, wormlike, cylindrical and lamellar shapes, respectively. Subsequently, the effect of surfactant and gold concentrations was investigated for the first time on the performance of the micellar-enhanced ultrafiltra-tion (MEUF) process in the separation of Au(III) from aqueous solutions. The separation ef-ficiency of gold mesomolecules and micellar binding constant was also estimated. The simulation results show the excellent effect of the presence of micelles in the separation of Au(III) using the MEUF process. As the surfactant concentration increases and the micelles grow in size, the probability of bonding between the metal mesomolecules and the micelles also increases and the passage of the gold beads through the polymeric membrane decreases.(c) 2023 Institution of Chemical Engineers. Published by Elsevier Ltd. All rights reserved.

Automated summary

Dissipative particle dynamics (DPD) simulation was used to investigate the self-assembled structure of DTAB and 12-6-12 surfactants in aqueous solution. The effects of simulation time and surfactant concentration on micelle formation were studied. Increasing the surfactant concentration led to the deformation of micellar clusters into spherical, wormlike, cylindrical, and lamellar shapes. The study also investigated the influence of surfactant and gold concentrations on the micellar-enhanced ultrafiltration (MEUF) process for Au(III) separation, estimating the separation efficiency of gold mesomolecules and micellar binding constant. The simulation results demonstrated the excellent effect of micelles on Au(III) separation using the MEUF process, as the surfactant concentration increased and micelles grew in size, resulting in increased bonding probability between metal mesomolecules and micelles and decreased passage of gold beads through the polymeric membrane.