The effects of the branched structures of SDBS molecules on oil recovery are investigated by molecular dynamics method. The relative density of oil molecules shows that SDBS molecule with benzene ring located near the center of alkyl chain has the best effect on oil displacement. Dynamic trajectories show that the water and SDBS molecules gradually occupy the calcite surface and replace the oil droplets. In this process, more water molecules gather nearby the polar groups of SDBS, indicating that the polar group has a significant effect on the water infiltration and the formation of water channels. Contact angle between SDBS molecule and calcite surface indicates that compared to straight chains, the branched structure tends to spread on the calcite interface. Moreover, adsorption energies of the simulation systems further prove that as the aromatic ring is closer to the middle of the alkyl chain, the oil displacement effect is better.
Keywords: Alkylbenzene sulfonate; Branched structure; Molecular dynamics simulation; Oil displacement.
© 2022. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.