Journal
ENERGY & ENVIRONMENTAL SCIENCE
Volume 3, Issue 9, Pages 1326-1338Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/b924171j
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Using dissipative particle dynamics we model phase separation within block and grafted polymers composed of hydrophobic (A) and hydrophilic, acid-containing (C) beads. The grafted polymers have their hydrophilic beads located at the end of the grafted side chains. Pore morphologies are calculated at a hydration level lambda of 4 H(2)O molecules/C bead. Monte Carlo tracer diffusion calculations are used to model the restricted movement of water within the pore networks. For the block polymers we find that at fixed C bead fractions, or ion exchange capacity (IEC), an increase in C block length results in larger pores and increased water diffusion. For grafted polymers of equal IEC, increasing the side chain length results in a better connected pore network and increased long-range water mobility.
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