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• W2011496749 startingPage "974" @default.
• W2011496749 abstract "Molecular dynamics simulation was performed for a crystalline form of syndiotactic polystyrene, the form, which may be used as a separation and storage material by using the nanoscale cavities in the crystal. The diffusion process of penetrants in the crystal was simulated using model gases, in which the bond length, , and Lennard-Jones parameters, and , were systematically varied, based on CO2 and N2. The diffusion coefficients increased with and decreased with increasing and . The behaviour was interpreted in terms of the change in crystal cell dimensions induced by the adsorption of gas molecules. The diffusion behaviour in the form is very sensitive to the lattice parameters, which are also very sensitive to gas adsorption. The results are useful for molecular design of gas separation membranes in which the gas permeability is controllable by external stimulus." @default.
• W2011496749 created "2016-06-24" @default.
• W2011496749 creator A5010397425 @default.
• W2011496749 creator A5037329877 @default.
• W2011496749 date "2014-07-08" @default.
• W2011496749 modified "2023-09-25" @default.
• W2011496749 title "Diffusion mechanism of CO₂in a crystalline polymer membrane studied using model gases" @default.
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• W2011496749 doi "https://doi.org/10.1080/08927022.2014.930571" @default.
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