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Issue 21, 2018
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Size-dependent penetrant diffusion in polymer glasses

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Molecular Dynamics simulations are used to understand the underpinning basis of the transport of gas-like solutes in deeply quenched polymeric glasses. As found in previous work, small solutes, with sizes smaller than 0.15 times the chain monomer size, move as might be expected in a medium with large pores. In contrast, the motion of larger solutes is activated and is strongly facilitated by matrix motion. In particular, solute motion is coupled to the local elastic fluctuations of the matrix as characterized by the Debye–Waller factor. While similar ideas have been previously proposed for the viscosity of supercooled liquids above their glass transition, to our knowledge, this is the first illustration of this concept in the context of solute mass transport in deeply quenched polymer glasses.

Graphical abstract: Size-dependent penetrant diffusion in polymer glasses

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Publication details

The article was received on 04 Apr 2018, accepted on 08 May 2018 and first published on 09 May 2018

Article type: Communication
DOI: 10.1039/C8SM00701B
Citation: Soft Matter, 2018,14, 4226-4230
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    Size-dependent penetrant diffusion in polymer glasses

    D. Meng, K. Zhang and S. K. Kumar, Soft Matter, 2018, 14, 4226
    DOI: 10.1039/C8SM00701B

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