A three-dimensional simulation of barrier properties of nanocomposite films
作者： C SWANNACK , C COX , A LIAKOS , D HIRT
DOI: 10.1016/J.MEMSCI.2005.04.023
关键词: Diffusion (business) 、 Nanocomposite 、 Membrane 、 Monte Carlo method 、 Composite material 、 Arch 、 Three dimensional simulation 、 Molecule 、 Statistical physics 、 Materials science 、 Aspect ratio (image)
摘要: Abstract Monte Carlo simulations are conducted in two and three dimensions to compute the diffusion coefficients of gas molecules permeating membranes containing oriented platelets. The effects platelet aspect ratio, relative separation, loading spatial dimension examined. model Aris [R. Aris, On a problem hindered diffusion, Arch. Ration. Mech Anal. 95 (2) (1986) 83–91] is shown correlate well with 2D simulation. However, model, when compared 3D simulation, over-predicts barrier-effect filler, by 50% some cases. Additionally, flaws idealized geometries for models addressed new geometry presented. results have particular value nanocomposite films at low loadings.
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