Title: Research Progress of Diffusion Behaviors of Small Molecules in Polymers Using Molecular Simulation
Abstract: Molecular simulation is a useful tool to study transport phenomena in polymer solutions,since it can investigate the dynamic behaviors in micro time-scale.The computational software in the fields of computational chemistry and materials science,and the molecular force fields which have been employed in polymer systems,were presented.The research progress of molecular simulation in the description of small molecules diffusion behaviors in polymers,such as polysiloxanes, polyimides,and polyalkenes,was reviewed in details.The future development was also pointed out.
Publication Year: 2008
Publication Date: 2008-01-01
Language: en
Type: article
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Cited By Count: 1
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