Device and materials modeling in PEM fuel cells / edited by Stephen J. Paddison, Keith S. Promislow.

Format:

Book

Contributor:

Paddison, Stephen J.

Promislow, Keith, 1964-

Alumni and Friends Memorial Book Fund.

Series:

Topics in applied physics ; v. 113.

Topics in applied physics, 0303-4216 ; 113

Language:

English

Subjects (All):

Proton exchange membrane fuel cells.

Fuel cells.

Physical Description:

xx, 588 pages : illustrations (some color) ; 25 cm.

Other Title:

PEM fuel cells

Place of Publication:

New York : Springer, [2009]

Summary:

"Topics such as catalyst layer performance and operation, reactor dynamics, macroscopic transport, and analytical models are covered under device modeling. Materials modeling include subjects relating to the membrane and the catalyst such as proton conduction, atomistic structural modeling, quantum molecular dynamics, and molecular-level modeling of the anode and cathode electrocatalysts"--P. 4 of cover.

Contents:

Part I Device Modeling

1 Modeling of PEMFC Catalyst Layer Performance and Degradation / Jeremy P. Meyers 19

2 Catalyst Layer Operation in PEM Fuel Cells: From Structural Pictures to Tractable Models / B. Andreaus, M. Eikerling 41

3 Reactor Dynamics of PEM Fuel Cells / Jay Benziger 91

4 Coupled Proton and Water Transport in Polymer Electrolyte Membranes / J. Fimrite, B. Carnes, H. Struchtrup, N. Djilali 123

5 A Combination Model for Macroscopic Transport in Polymer-Electrolyte Membranes / Adam Z. Weber, John Newman 157

6 Analytical Models of a Polymer Electrolyte Fuel Cell / A. A. Kulikovsky 199

7 Phase Change and Hysteresis in PEMFCs / Keith S. Promislow 253

8 Modeling of Two-Phase Flow and Catalytic Reaction Kinetics for DMFCs / J. Fuhrmann, K. Gartner 297

9 Thermal and Electrical Coupling in Stacks / Brian Wetton 317

Part II Materials Modeling

The Membrane

10 Proton Transport in Polymer Electrolyte Membranes Using Theory and Classical Molecular Dynamics / A. A. Kornyshev, E. Spohr 349

11 Modeling the State of the Water in Polymer Electrolyte Membranes / Reginald Paul 365

12 Proton Conduction in PEMs: Complexity, Cooperativity and Connectivity / S. J. Paddison 385

13 Atomistic Structural Modelling of Ionomer Membrane Morphology / J. A. Elliott 413

14 Quantum Molecular Dynamic Simulation of Proton Conducting Materials / G. Seifert, S. Hazebroucq, W. Munch 437

15 Morphology of Nafion Membranes: Microscopic and Mesoscopic Modeling / Dmitry Galperin, Pavel G. Khalatur, Alexei R. Khokhlov 453

The Catalyst

16 Molecular-Level Modeling of Anode and Cathode Electrocatalysis for PEM Fuel Cells / Marc T.M. Koper 485

17 Reactivity of Bimetallic Nanoclusters Toward the Oxygen Reduction in Acid Medium / Perla B. Balbuena, Yixuan Wang, Eduardo J. Lamas, Sergio R. Calvo, Luis A. Agapito, Jorge M. Seminario 509

18 Multi-Scale Modeling of CO Oxidation on Pt-Based Electrocatalysts / Chandra Saravanan, N. M. Markovic, M. Head-Gordon, P. N. Ross 533

19 Modeling Electrocatalytic Reaction Systems from First Principles / Sally A. Wasileski, Christopher D. Taylor, Matthew Neurock 551.

Notes:

Includes bibliographical references and index.

Local Notes:

Acquired for the Penn Libraries with assistance from the Alumni and Friends Memorial Book Fund.

ISBN:

9780387786902

0387786902

OCLC:

222154537