In-Silico Studies of Polyelectrolyte Membranes for Flow Batteries and Fuel Cells скачать в хорошем качестве

In-Silico Studies of Polyelectrolyte Membranes for Flow Batteries and Fuel Cells

Nafion is a commonly used polyelectrolyte membrane (PEM) in fuel cells and flow batteries. Nanocomposites of Nafion are used to enhance temperature resistance and proton conductivity. The properties of hydrated membranes, and the water influence on Nafion glassy behavior is very important. We first report molecular-dynamics simulations of Nafion and compare the results with the conductivity of PFIA membrane. Finally, we report the modelling of the annealing effects on both structure, dynamics and electric conductivity of the Nafion membranes. We observe strong antiplasticization effect and increase in the glass-transition temperature upon hydration. The hydrophilic channels evolution (see Figure below) upon annealing and associated changes in ion diffusion and electric conductivity will be discussed.