화학공학소재연구정보센터
Journal of Chemical Physics, Vol.114, No.16, 7274-7282, 2001
Computer simulation of a Langmuir trough experiment carried out on a nanoparticulate array
We have used molecular dynamics simulation and thermodynamic arguments to analyze the pressure-area curve resulting from the compression of a monolayer of nanoparticulates at a liquid-vapor interface. The pressure-area isotherm produced by molecular dynamics simulation shows characteristics common to experimental isotherms obtained using the Langmuir-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 Langmuir-trough experiment, suggests that the monolayer of particulates buckles under compression. This result is in agreement with recent experimental work on colloids at liquid-liquid interfaces.