Computer simulation of a Langmuir through experiment carried out on a nanoparticulate array

摘要

We have used molecular dynamics simulation and thermodynamic arguments to analyze the pressure-areaa curve resulting from the compression of a monolayer of nanoparticulates as a liquid-vapor interface. The pressure-area isotherm produced by molecular dynamics simulation shows characteristics common to experimental isotherms obtained using the Langmuri-trough technique. The surface pressure exhibits a "knee," which signals the onset of surface collapse. Visual inspection of the computer simulated monolayers, along with theoretical results from a free energy model of the Langmuri-trough experiment, suggest that the monolayer of particulates buckles under compression. This result is in agreement with recent experimental work on colloids at liquid-liquid interfaces.