Device and Materials Modeling in PEM Fuel Cells

by Paddison, Stephen J.; Promislow, Keith S.

• ISBN13: 9780387786902
• ISBN10: 0387786902
• Format: Hardcover
• Copyright: 2008-11-01
• Publisher: Springer Verlag

Summary

The impact of proton exchange membrane (PEM) fuel cells on energy generation will parallel the impact of the integrated circuit on information technology. The underlying processes in PEM fuel cells have strong ties to energy generation at the mitochondrial level in organic life. The potential applications range from the micron scale to large scale industrial production. Successful integrated of PEM fuel cells into the mass-market will require new materials and a deepening understanding of the balance required to maintain the various operational states. Key areas of development include electrocatalysts for the fuel and air electrodes and membranes exhibiting good proton conductivity under minimal hydration and temperatures between -20 °C to 120 °C. New materials possessing improved properties will emerge as a result of a collaborative effort between experimentalists, engineers, and theorists, the latter doing both device and materials modeling. This book presents a series of contributed articles from scientists who have made a contribution in the modeling of fuel cells from either a device or materials perspective.As fuel cell technologies are an emerging area this book will be of interest to any working in this field.This book will provide a survey (with significant depth) of virtually all the computational and modeling work done in this area.

Author Biography

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.

Table of Contents

Device Modeling
Section Preface	p. 3
Modeling of PEMFC Catalyst Layer Performance and Degradation	p. 19
Catalyst Layer Operation in PEM Fuel Cells: From Structural Pictures to Tractable Models	p. 41
Reactor Dynamics of PEM Fuel Cells	p. 91
Coupled Proton and Water Transport in Polymer Electrolyte Membranes	p. 123
A Combination Model for Macroscopic Transport in Polymer-Electrolyte Membranes	p. 157
Analytical Models of a Polymer Electrolyte Fuel Cell	p. 199
Phase Change and Hysteresis in PEMFCs	p. 253
Modeling of Two-Phase Flow and Catalytic Reaction Kinetics for DMFCs	p. 297
Thermal and Electrical Coupling in Stacks	p. 317
Materials Modeling
Section Preface	p. 341
The Membrane
Proton Transport in Polymer Electrolyte Membranes Using Theory and Classical Molecular Dynamics	p. 349
Modeling the State of the Water in Polymer Electrolyte Membranes	p. 365
Proton Conduction in PEMs: Complexity, Cooperativity and Connectivity	p. 385
Atomistic Structural Modelling of Ionomer Membrane Morphology	p. 413
Quantum Molecular Dynamic Simulation of Proton Conducting Materials	p. 437
Morphology of Nafion Membranes: Microscopic and Mesoscopic Modeling	p. 453
The Catalyst
Molecular-Level Modeling of Anode and Cathode Electrocatalysis for PEM Fuel Cells	p. 485
Reactivity of Bimetallic Nanoclusters Toward the Oxygen Reduction in Acid Medium	p. 509
Multi-Scale Modeling of CO Oxidation on Pt-Based Electrocatalysts	p. 533
Modeling Electrocatalytic Reaction Systems from First Principles	p. 551
Index	p. 575
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