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• W2055067147 abstract "We present Monte Carlo simulation studies of coarse-grained models of some recently developed comb polymers for anhydrous proton transport applications. Our models of the comb polymers incorporate the chain architecture but require only a single χ-parameter for segment−segment interactions. We have studied these models with Monte Carlo simulations using the single chain in mean field (SCMF) method developed by Muller, de Pablo, and co-workers. In these simulations we determine the mesoscale structure and relate it to the polymer architecture in the models. The calculations reveal spontaneous self-assembly of the model comb polymers into mesoscale structures with lamellar or cylindrical symmetries that are similar to those seen in the experiments. The results are also consistent with the picture of the conducting groups concentrating within one of the mesophases, proposed on the basis of the experimental studies. Our calculations also suggest an alternative explanation for the disordered morphologies found in experiments for some of the polymers in terms of the effect of chain branching upon the location of the order−disorder transition." @default.
• W2055067147 created "2016-06-24" @default.
• W2055067147 creator A5030578775 @default.
• W2055067147 creator A5091777449 @default.
• W2055067147 date "2010-10-26" @default.
• W2055067147 modified "2023-09-30" @default.
• W2055067147 title "Modeling Mesoscale Structure in Comb Polymer Materials for Anhydrous Proton Transport Applications" @default.
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• W2055067147 doi "https://doi.org/10.1021/ma101441g" @default.
• W2055067147 hasPublicationYear "2010" @default.
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