Molecular Dynamics has been used to study the properties and behaviour of a monolayer of spherical particulates located at the liquid-vapour interface of a Lennard-Jones/spline fluid at a variety of surface densities. The simulations
corresponded to a standard Langmuir Trough experiment, producing surface pressure-area isotherms similar to those obtained experimentally. Both the results of the simulations and a theoretical analysis of the experiment indicate that the interface buckles at the critical surface area, a result that is in agreement with recent experimental observations and is contrary to previous theoretical analyses and predictions.
To the authors knowledge this is the first time that the Langmuir Trough experiment has been studied using computer simulation.