Simulation of Hydrated Nafion as Fuel Cell Membrane by Dissipative Particle Dynamics
کد مقاله : 1393-PHYSCHEM20
مجید صدیقی *
چکیده مقاله:
The microphase separation of hydrated perfluorinated sulfonic acid membrane Nafion was investigated using Dissipative Particle Dynamics (DPD). The Nafion as a polymer was modelled by connecting coarse grained beads which corresponds to the hydrophobic backbone of polytetrafluoroethylene and perfluorinated side chains terminated by hydrophilic end particles of sulfonic acid groups. The morphology of hydrated Nafion is studied for polymer molecular weight of 5720, 11440 and 17160 in water content of 10%, 20% and 30%. The results show water particles and hydrophilic particles of Nafion side chains spontaneously form aggregates and are embedded in the hydrophobic phase of Nafion backbone. The averaged water pore diameter and the averaged water clusters distance were found to rises with water volume fraction.
کلیدواژه ها:
Fuel cell, Membrane, Nafion, Mesosacle, DPD.
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