title: Monolayer structure and evaporation resistance: a molecular dynamics study of octadecanol on water.
abstract: This study examines intermolecular interactions of a monolayer of octadecanol (CH(3)(CH(2))(17)OH) on water as a function of surface density and temperature, using classical molecular dynamics simulations. We observe increased interaction between the alkyl chains (van der Waals) and hydroxyl groups (H-bonding) with increased surface density, which leads to increased order and packing within the monolayer. We also identified clear trends in the intermolecular interactions, ordering and packing of the monolayer molecules as a function of temperature. The observed trends can be closely related to features of the current empirical theories of evaporation resistance.
authors.affiliation: Applied Physics, School of Applied Sciences, RMIT University, GPO Box 2476 V, Victoria, 3001 Australia.
authors.forename: David J
authors.initials: DJ
authors.lastname: Henry
authors.forename: Visham I
authors.initials: VI
authors.lastname: Dewan
authors.forename: Emma L
authors.initials: EL
authors.lastname: Prime
authors.forename: Greg G
authors.initials: GG
authors.lastname: Qiao
authors.forename: David H
authors.initials: DH
authors.lastname: Solomon
authors.forename: Irene
authors.initials: I
authors.lastname: Yarovsky