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Introduction
A simulation of the paths of diffusing molecules in polymer-clay nanocomposites was created to predict the gas permeability of nanocomposites with varying volume fractions and aspect ratios of clay.
The simulation was coded in Mathematica, and can be downloaded as a Mathematica Notebook. Alternatively, the code is also available in a PDF document. The Monte Carlo simulations were run on the Orion supercomputing grid at the Chinese University of Hong Kong.
The research paper was submitted to the Siemens Competition 2009, and this project was selected for the regional finals at the University of Texas at Austin.
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