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Issue 25, 2016
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Diffusive properties of solvent molecules in the neighborhood of a polymer chain as seen by Monte-Carlo simulations

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Abstract

The influence of both polymer chain length and concentration on the mobility of solvent molecules in polymer solutions was studied by Monte Carlo simulations with the use of the dynamic lattice liquid (DLL) model. The poly(vinylmethylether)–water system was used as a model. Two different solvent (water) states with differing mobilities were distinguished in polymer solutions. The first one with high molecular mobility independent of polymer concentration corresponds to bulk solvent in real systems. The second state relates to so called bound solvent. In this case the solvent diffusivity decreases with polymer content. For diluted solutions the diffusion of bound solvent is affected by polymer chain length, precisely, by the ability of the polymer chain to undergo coil formation.

Graphical abstract: Diffusive properties of solvent molecules in the neighborhood of a polymer chain as seen by Monte-Carlo simulations

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Publication details

The article was received on 05 Mar 2016, accepted on 16 Apr 2016 and first published on 20 Apr 2016


Article type: Paper
DOI: 10.1039/C6SM00569A
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Soft Matter, 2016,12, 5519-5528
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    Diffusive properties of solvent molecules in the neighborhood of a polymer chain as seen by Monte-Carlo simulations

    M. Kozanecki, K. Halagan, J. Saramak and K. Matyjaszewski, Soft Matter, 2016, 12, 5519
    DOI: 10.1039/C6SM00569A

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