Mesoscopic simulation of the phase behavior an d microstructure of mixed surfactants microemuls ions as nanomaterial reactors

A dissipative dynamics simulation (DPD) method was used to predict the phase behavior and microstructure of SDBS(sodium dodecylbenzenesulfonate) +TX-100 (polyoxyethylene Octylphenol ether) /octane/ butanol/ water system. The formation of reverse micelles by 20,000 steps of DPD simulation, microstructure and surface tension of the microemulsion systems at different octane and water concentrations were investigated. The results showed the optimal mixing mole ratio of SDBS and TX-100 was 8∶2, the aggregation behavior in the mixed micelle was stronger than that of pure SDBS. By adjusting the bulk and figure of the micelles, the expected nanometer structure material can be synthesized with controlled structure according to the phase diagram.