title: Reorientation of a dipolar monolayer and dipolar solvent.
abstract: The reliable persistence of an adhered monolayer film on a substrate is critical for film function. The process by which monolayers degrade or disperse remains unclear. Our study investigates the properties and dynamics of a solute of dipolar molecules initially adhered as a monolayer on a substrate in a water-like Stockmayer solvent. We find that for a rigid solute, both the solute and solvent show qualitatively different dynamics than for a flexible solute and its solvent. For the rigid solute, spreading is hindered and solvent orientation is more pronounced. We formulate a simple kinetic model that shows qualitatively similar results to the molecular dynamics simulations of the time evolution of the monolayer. Simple kinetics of molecules on substrates is a starting point for understanding important industrial monolayer applications and complex interactions on membranes.
authors.affiliation: Department of Mechanical Engineering, Northwestern University, Evanston, Illinois 60208, USA.
authors.forename: Taeil
authors.initials: T
authors.lastname: Yi
authors.affiliation: Department of Mechanical Engineering, Northwestern University, Evanston, Illinois 60208, USA.
authors.forename: Seth
authors.initials: S
authors.lastname: Lichter
mesh_terms: D003198:Computer Simulation; D057446:Hydrodynamics; D007700:Kinetics; D008567:Membranes, Artificial; D008956:Models, Chemical; D056004:Molecular Dynamics Simulation; D012212:Rheology / Q000379:methods*; D012997:Solvents / Q000737:chemistry*; D013499:Surface Properties
chemical_list: D008567:Membranes, Artificial; D012997:Solvents