Experimentally determined phase diagram of palm kernel oil-based wax esters (PKOEs) nano-emulsion was selected to explore an atomic insight into the self-assembly of PKOEs nano-emulsion using molecular dynamics (MD) simulation technique. A model system including PKOEs molecules and nonionic Tween80 surfactant in aqueous solution was prepared. We used MD to explore a detail atomic insight into the self-assembly process of and the shape of the micelle formed. MD simulation was performed for 20 ns. MD results involving the radius of gyration, the solvent accessible surface areas, the number of clusters formed, and the moment of inertia analysis revealed that the model prepared showed a stable prolate ellipsoid shape.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.