(553h) Molecular Dynamics Study on Hydrated Water-Soluble Dendrimer-Grafted Polymer Membrane for Pemfc

We have investigated a molecular architecture in which water-soluble dendrimers are grafted onto a linear polymer for application to polymer electrolyte membrane fuel cells. Using full-atomistic MD simulations, we examined the nanophase-segregation and transport in hydrated membrane consisting of such a new architecture. In order to determine the effect of the linear polymer backbone on the membrane properties, we simulated three different types of linear polymers: poly (epichlorohydrin) (PECH), poly (styrene) (PS) and poly (tetrafluoroethylene) (PTFE) in combination with the second-generation sulfonic poly aryl ethereal dendrimer, which results in PECH-D2, PS-D2, and PTFE-D2. From our simulations, we found that the extent of nanophase-segregation in the membrane increases in order of PECH-D2