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Effects of Some Structural Features of Poly(dimethylsiloxane) on its Unusually High Gas Permeabilities

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Abstract

Molecular dynamics simulations were carried out on poly(dimethylsiloxane) to elucidate the high permeabilities that have made it an extremely important polymer in gas separations and related processes involving diffusion. The results suggest that one important structural feature in this regard is the pronounced alternation in skeletal bond angles, which makes the low-energy conformation of the chain a closed polygon; this could increase free volumes by interfering with the efficient packing of the chains in the bulk state. Also important is the relatively large value of the Si–O bond length, which could increase chain flexibility and mobility by reducing intramolecular steric interactions.

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Acknowledgments

It is a pleasure to acknowledge the financial support provided JEM by the National Science Foundation through Grant DMR-0314760 (Polymers Program, Division of Materials Research).

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Authors and Affiliations

  1. Department of Chemistry and the Polymer Research Center, The University of Cincinnati, Cincinnati, OH, 45221-0172, USA

    Reda Abou-Hussein & James E. Mark

  2. Key Laboratory of Beijing on “Preparation and Processing of Novel Polymer Materials”, College of Materials Science & Engineering, Beijing University of Chemical Technology, Beijing, 100029, China

    Sizhu Wu & Lishu Zhang

Authors
  1. Reda Abou-Hussein
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  2. Sizhu Wu
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  3. Lishu Zhang
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  4. James E. Mark
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Correspondence to James E. Mark.

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Abou-Hussein, R., Wu, S., Zhang, L. et al. Effects of Some Structural Features of Poly(dimethylsiloxane) on its Unusually High Gas Permeabilities. J Inorg Organomet Polym 18, 100–103 (2008). https://doi.org/10.1007/s10904-007-9177-5

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  • DOI: https://doi.org/10.1007/s10904-007-9177-5

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