《Device and Materials Modeling in PEM Fuel Cells》
《Device and Materials Modeling in PEM Fuel Cells》质子交换膜燃料电池器件与材料建模
编者：
Stephen J. Paddison
Department of Chemical
& Biomolecular Engineering
University of Tennessee
Keith S. Promislow
Department of Mathematics
Michigan State University
出版社：Springer
出版时间：2009年
目录
Part I Device Modeling
Section Preface . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3
Jean St-Pierre
1. Modeling of PEMFC Catalyst Layer Performance
and Degradation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19
Jeremy P. Meyers
2. Catalyst Layer Operation in PEM Fuel Cells: From Structural
Pictures to Tractable Models . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 41
B. Andreaus and M. Eikerling
3. Reactor Dynamics of PEM Fuel Cells . . . . . . . . . . . . . . . . . . . . . . . 91
Jay Benziger
4. Coupled Proton and Water Transport in Polymer Electrolyte
Membranes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123
J. Fimrite, B. Carnes, H. Struchtrup and N. Djilali
5. A Combination Model for Macroscopic Transport in
Polymer-Electrolyte Membranes . . . . . . . . . . . . . . . . . . . . . . . . . . 157
Adam Z. Weber and John Newman
6. Analytical Models of a Polymer Electrolyte Fuel Cell . . . . . . . . . . 199
A. A. Kulikovsky
7. Phase Change and Hysteresis in PEMFCs . . . . . . . . . . . . . . . . . . . 253
Keith S. Promislow
8. Modeling of Two-Phase Flow and Catalytic Reaction Kinetics
for DMFCs . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 297
J. Fuhrmann and K. Ga¨rtner
9. Thermal and Electrical Coupling in Stacks . . . . . . . . . . . . . . . . . . 317
Brian Wetton
v
Part II Materials Modeling
Section Preface . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 341
K. D. Kreuer
The Membrane
10. Proton Transport in Polymer Electrolyte Membranes Using
Theory and Classical Molecular Dynamics . . . . . . . . . . . . . . . . . 349
A. A. Kornyshev and E. Spohr
11. Modeling the State of the Water in Polymer Electrolyte
Membranes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 365
Reginald Paul
12. Proton Conduction in PEMs: Complexity, Cooperativity
and Connectivity . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 385
S. J. Paddison
13. Atomistic Structural Modelling of Ionomer Membrane
Morphology . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 413
J. A. Elliott
14. Quantum Molecular Dynamic Simulation of Proton Conducting
Materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 437
G. Seifert, S. Hazebroucq and W. Mu¨nch
15. Morphology of Nafion Membranes: Microscopic
and Mesoscopic Modeling . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 453
Dmitry Galperin, Pavel G. Khalatur and Alexei R. Khokhlov
The Catalyst
16. Molecular-Level Modeling of Anode and Cathode
Electrocatalysis for PEM Fuel Cells . . . . . . . . . . . . . . . . . . . . . . . 485
Marc T.M. Koper
17. Reactivity of Bimetallic Nanoclusters Toward the Oxygen
Reduction in Acid Medium . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 509
Perla B. Balbuena, Yixuan Wang, Eduardo J. Lamas,
Sergio R. Calvo, Luis A. Agapito and Jorge M. Seminario
18. Multi-Scale Modeling of CO Oxidation on Pt-Based
Electrocatalysts . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 533
Chandra Saravanan, N. M. Markovic, M. Head-Gordon
and P. N. Ross
19. Modeling Electrocatalytic Reaction Systems from First Principles 551
Sally A. Wasileski, Christopher D. Taylor and Matthew Neurock
Index . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 575
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