Device and Materials Modeling in PEM Fuel Cells

Paddison is an associate professor of chemical engineering who works on computational studies of fuel cell materials. Promislow is a professor of applied mathematics working on device-level modeling of fuel cells and nonlinear optics.

Device Modeling.- Section Preface.- Modeling of PEMFC Catalyst Layer Performance and Degradation.- Catalyst Layer Operation in PEM Fuel Cells: From Structural Pictures to Tractable Models.- Reactor Dynamics of PEM Fuel Cells.- Coupled Proton and Water Transport in Polymer Electrolyte Membranes.- A Combination Model for Macroscopic Transport in Polymer-Electrolyte Membranes.- Analytical Models of a Polymer Electrolyte Fuel Cell.- Phase Change and Hysteresis in PEMFCs.- Modeling of Two-Phase Flow and Catalytic Reaction Kinetics for DMFCs.- Thermal and Electrical Coupling in Stacks.- Materials Modeling.- Section Preface.- Proton Transport in Polymer Electrolyte Membranes Using Theory and Classical Molecular Dynamics.- Modeling the State of the Water in Polymer Electrolyte Membranes.- Proton Conduction in PEMs: Complexity, Cooperativity and Connectivity.- Atomistic Structural Modelling of Ionomer Membrane Morphology.- Quantum Molecular Dynamic Simulation of Proton Conducting Materials.- Morphology of Nafion Membranes: Microscopic and Mesoscopic Modeling.- Molecular-Level Modeling of Anode and Cathode Electrocatalysis for PEM Fuel Cells.- Reactivity of Bimetallic Nanoclusters Toward the Oxygen Reduction in Acid Medium.- Multi-Scale Modeling of CO Oxidation on Pt-Based Electrocatalysts.- Modeling Electrocatalytic Reaction Systems from First Principles.