How fork-length asymmetry affects solvent connectivity and diffusion in grafted polymeric model membranes.

The hydrophilic pore morphology and solvent diffusion within model (amphiphilic) polymer membranes are simulated by dissipative particle dynamics (DPD). The polymers are composed of a backbone of 18 covalently bonded A beads to which at regular intervals side chains are attached. The side chains are composed of linear Ap chains (i.

Simulated and Experimental Trends Regarding Water Uptake in Polymeric Electrolyte Membranes.

Polymeric membranes in an anion or a proton exchange membrane fuel cell need sufficient hydration in order to provide a high hydroxide ion or proton conductivity. The water uptake for six model ionomer membranes, all of the same ion exchange capacity, is modeled by dissipative particle dynamics. The architectures cover three types of families that are of potential interest in fuel cell membrane research.

Improving proton conduction pathways in di- and triblock copolymer membranes: Branched versus linear side chains.

Phase separation within a series of polymer membranes in the presence of water is studied by dissipative particle dynamics. Each polymer contains hydrophobic A beads and hydrophilic C beads. Three parent architectures are constructed from a backbone composed of connected hydrophobic A beads to which short ([C]), long ([AC]), or symmetrically branched A[AC][AC] side chains spring off.

Dependence of Solvent Diffusion on Hydrophobic Block Length within Amphiphilic-Hydrophobic Block Copolymer Membranes.

Pore networks and water diffusion within model (amphiphilic-hydrophobic) diblock copolymer membranes in the presence of 16 vol % water is studied by dissipative particle dynamics in combination with Monte Carlo tracer diffusion calculations. The amphiphilic block (parent architecture (A[AC])) is composed of a backbone that contains 10 consecutively connected hydrophobic A beads; to each A bead, a side chain is grafted composed of three connected A beads and a pendant hydrophilic C bead. Hydrophobic blocks are constructed from x covalently bonded A beads, with x = 20, 30, or 50.

Water Diffusion Dependence on Amphiphilic Block Design in (Amphiphilic-Hydrophobic) Diblock Copolymer Membranes.

Polyelectrolyte membranes (PEMs) are applied in polyelectrolyte fuel cells (PEFC). The proton conductive pathways within PEMs are provided by nanometer-sized water containing pores. Large-scale application of PEFC requires the production of low-cost membranes with high proton conductivity and therefore good connected pore networks.