title: Modeling the interfacial tension in oil-water-nonionic surfactant mixtures using dissipative particle dynamics and self-consistent field theory.
abstract: We use two mesoscale simulation methods, dissipative particle dynamics (DPD) and self-consistent field theory (SCFT), to model interfacial tension in ternary oil/water/surfactant mixtures. For model systems where the oil is dodecane and the surfactant is a linear alkyl ethoxylate, the two methods show a good semiquantitative agreement among themselves and with experimental data. We further discuss the advantages and limitations of the two methods and their possible use for surfactant screening in specific industrial applications.
authors.affiliation: Research and Development, The Dow Chemical Company, Midland, Michigan 48674, United States.
authors.forename: Valeriy V
authors.initials: VV
authors.lastname: Ginzburg
authors.forename: Kwanho
authors.initials: K
authors.lastname: Chang
authors.forename: Prasanna K
authors.initials: PK
authors.lastname: Jog
authors.forename: Andre B
authors.initials: AB
authors.lastname: Argenton
authors.forename: Leela
authors.initials: L
authors.lastname: Rakesh
mesh_terms: D000465:Algorithms; D008956:Models, Chemical; D009821:Oils / Q000737:chemistry*; D013500:Surface Tension; D013501:Surface-Active Agents / Q000737:chemistry*; D013816:Thermodynamics; D014867:Water / Q000737:chemistry*
chemical_list: D009821:Oils; D013501:Surface-Active Agents; D014867:Water