Molecular Dynamics Simulation on Adsorbing Behavior of Anionic Gemini Surfactants at Decane/Water Interface

Molecular dynamics simulations were performed to investigate the adsorbing behavior of anionic sulfonate Gemini surfactants at oil/water interface. Effects of spacer on the aggregation and interfacial properties of surfactants were studied in detail. The interfacial structure and density profiles of adsorbents show the existence of Gemini surfactants monolayer. The interfacial thickness increased significantly and the interface formation energy decreased when incorporating the Gemini surfactants into the oil/water interface. Better interfacial properties are also found in this work when the spacer has six carbons. Except for water molecular diffusion properties, only little effect of spacer on the adsorbing structure and properties of water and Na+ surrounding the interface of Gemini surfactants are found.