Monte Carlo simulation for relative characters of Gemini surfactants

Monte Carlo simulation method was employed to study the self-aggregation of Gemini surfactants in a selective solvent. The effects of the chain length of surfactant, interaction energy between solvent with surfactant and space group on the aggregation ability of surfactant and configuration of micelles were investigated. Results show that the longer the tails, the lower the corresponding critical micelles concentration (CMC) is, and CMC has nothing to do with tails' symmetry. The interaction energy between atoms alters the solution's CMC through efficiency exchanging energy. The Gemini surfactant is prone to congregate then to form micelles, whose aggregation number is correlated with its characteristics.