title: Dumbbells and onions in ternary nucleation.
abstract: Molecular simulations for a ternary nucleation system (water/n-nonane/1-butanol) demonstrate a more complex nucleation mechanism than previously thought, where critical nuclei with different compositions are present even for a given vapour-phase composition; the spatial distribution in these critical nuclei is heterogeneous and dumbbell and onion motifs are found; in the former, water and nonane nano-droplets are connected through a butanol handle, while in the latter a water core is surrounded by a nonane corona with an interfacial butanol shell.
authors.affiliation: Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803-1804, USA.
authors.forename: Ricky B
authors.initials: RB
authors.lastname: Nellas
authors.forename: Bin
authors.initials: B
authors.lastname: Chen
authors.forename: J Ilja
authors.initials: JI
authors.lastname: Siepmann
mesh_terms: D000473:Alkanes / Q000737:chemistry*; D000440:Butanols / Q000737:chemistry*; D045424:Complex Mixtures / Q000737:chemistry; D003198:Computer Simulation; D003460:Crystallization / Q000379:methods*; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D014867:Water / Q000737:chemistry*
chemical_list: D000473:Alkanes; D000440:Butanols; D045424:Complex Mixtures; D014867:Water; C017573:nonane