Gemini surfactants are expected to be used in tertiary oil recovery for its higher interfacial activity compared with conventional surfactants and. The structure-effective relationship between various Gemini surfactants and their interfacial emulsification properties is not clear, which limits the development of high-efficiency oil-displacing agents. The dissipative particle dynamics simulation at the mesoscopic scale has been used to study the emulsification performance of Gemini surfactants at the oil-water interface. By changing the spacer group and the length of the hydrophobic chain in the Gemini surfactant, the influence of its molecular structure on the emulsification performance is revealed.

This study offers a theoretical basis for the development of high-performance Gemini surfactants for oil displacement. In order to achieve high-throughput screening and surfactant molecules design, the emulsification mechanism of Gemini surfactants at the oil-water interface and straight-chain surfactants in different oil phases are analyzed through the simulation study of the oil/water/surfactant system, which provides theoretical guidance for experiments and kinetic criteria for the stability of (micro)emulsions.