Mesoscopic Simulations on the Aggregation Behavior of Polymeric Surfactants in Aqueous Solutions

Abstract

Polymeric surfactants are widely used in many fields.Their aggregation behavior is different from that of small molecule surfactants because of complex configurations and large molecular weights.The studies of aggregation behavior at the micro-level can guide applications and therefore,many researchers have focused on theoretical investigations.With the recent advances in computer simulations,the study of surfactant aggregation behavior in aqueous solutions at the micro-or meso-level has been successfully undertaken.Based on our recent work,we review the aggregation behavior of polymeric surfactants by dissipative particle dynamics (DPD) and mesoscopic dynamics (MesoDyn).This paper especially introduces research about the phase behavior of polymeric surfactants as well as their interactions with low molecular weight surfactants.This method can directly provide the process of phase separations and changes in the conformation of the aggregates,which are not observable in macro-experiments.This method has the potential to complement and guide experimental methods.