Studying Fuel Cell Structures via Monte Carlo

 

Colleen Bertoni

bertoc1@mail.utexas.edu

Office: CPE 3.472

Phone: 512-471-4966

 

This research uses computer simulations to investigate and compare potential candidates for the polymeric membrane structures, such as polymer blends and block copolymers of different lengths that could be used as membranes in fuel cells. The simulation places the polymers on a lattice with water and methanol and simulates equilibrium structures using the bond fluctuation and Metropolis Monte Carlo method. Structural properties such as the channel sizes of the membranes and dynamic properties of water and methanol (such as their diffusivity) are calculated and compared.