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A systematic procedure has been developed to construct a relaxed dense-phase atomistic structure of a complex amorphous polymer. The numerical procedure consists of (1) coarse graining the atomistic model of the polymer into a mesoscopic model based on an iterative algorithm for potential inversion from distribution functions of the atomistic model, (2) relaxation of the coarse-grained chain using...
A series of sulfonated poly(ether ether ketone ketone)s (SPEEKK)s based membranes have been prepared and evaluated for proton exchange membranes (PEM). The membranes show very good thermal and mechanical stabilities. The structures of membranes were studied with AFM. The membranes show very good proton conductive ability (25°C: 0.007–0.04s/cm) and methanol resistance (25°C: 7.68×10 −8 to 5...
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