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Nanoscale morphology in sulphonated poly(Ether ether ketone)-based ionomeric membranes: Mesoscale simulations

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Abstract

The model of a proton-conducting membrane based on sulfonated aromatic poly(ether ether ketone) has been constructed in the context of the mesoscale-dynamics method. The structure of the polymer is represented as a linear adjusted sequence of polar and nonpolar chain units. The degree of sulfonation and water content in the system are the main parameters during calculations. The constructed model shows that microphase separation of hydrophilic and hydrophobic polymer chain units occurs even at small water contents. A spatial network of water domains that has walls made of polymer-matrix polar chain units is formed within the membrane volume. The estimation of the percolation threshold demonstrates that water domains form a penetrating system of channels at water contents as low as 5–9%. Analogous simulations have been performed for the well-studied Nafion-1100 membrane. Although the morphologies of hydrophilic channels in sulfonated aromatic poly(ether ether ketone) and Nafion differ substantially, their cross sections are close. The results make it possible to consider sulfonated aromatic poly (ether ether ketone) a possible alternative to Nafion during the development of proton-conducting membranes for new-generation fuel cells.

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Authors and Affiliations

  1. Tver State University, Sadovyi per. 35, Tver, 170002, Russia

    P. V. Komarov & P. G. Khalatur

  2. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, ul. Vavilova 28, Moscow, 119991, Russia

    P. V. Komarov, I. N. Veselov & P. G. Khalatur

Authors
  1. P. V. Komarov
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  2. I. N. Veselov
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  3. P. G. Khalatur
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Correspondence to P. V. Komarov.

Additional information

This work was supported by the Russian Foundation for Basic Research (project no. 09-03-00671-a).

Original Russian Text © P.V. Komarov, I.N. Veselov, P.G. Khalatur, 2010, published in Vysokomolekulyarnye Soedineniya, Ser. A, 2010, Vol. 52, No. 2, pp. 279–297.

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Komarov, P.V., Veselov, I.N. & Khalatur, P.G. Nanoscale morphology in sulphonated poly(Ether ether ketone)-based ionomeric membranes: Mesoscale simulations. Polym. Sci. Ser. A 52, 191–208 (2010). https://doi.org/10.1134/S0965545X10020136

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  • DOI: https://doi.org/10.1134/S0965545X10020136

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