Reorientation of a dipolar monolayer and dipolar solvent

Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Jun;89(6):062404. doi: 10.1103/PhysRevE.89.062404. Epub 2014 Jun 13.

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.

MeSH terms

  • Computer Simulation
  • Hydrodynamics*
  • Kinetics
  • Membranes, Artificial*
  • Models, Chemical*
  • Molecular Dynamics Simulation*
  • Rheology / methods*
  • Solvents / chemistry*
  • Surface Properties

Substances

  • Membranes, Artificial
  • Solvents