《Modeling and Diagnostics of Polymer Electrolyte Fuel Cells》
《Modeling and Diagnostics of Polymer Electrolyte Fuel Cells》聚合物电解质燃料电池的建模与诊断
编者：
Ugur Pasaogullari
University of Connecticut, USA
Chao-Yang Wang
The Pennsylvania State University, USA
出版社：Springer
出版时间：2010年
目录
Chapter 1
DURABILITY OF PEM FUEL CELL MEMBRANES
Xinyu Huang and Ken Reifsnider
1. Summary . . . . . . . . . . . . . . . . . . . . . . 1
2. Review of PEM Fuel Cell Degradation
Phenomena and Mechanisms . . . . . . . . . . . . 2
3. MembraneDegradation . . . . . . . . . . . . . . 6
3.1. Stress inMembrane andMEAs . . . . . . . . 7
3.2. Mechanical Characterization of Membranes . 11
3.3. ChemicalDegradationProcesses . . . . . . . 15
3.4. Mechanical Degradation Processes . . . . . . 18
3.5. Interactions of Chemical and
Mechanical Degradation . . . . . . . . . . . 26
4. Accelerated Testing and Life Prediction . . . . . . 31
4.1. Accelerated Degradation Testing and
DegradationMetrics . . . . . . . . . . . . . . 31
4.2. Progressive Degradation Model of
CombinedEffects . . . . . . . . . . . . . . . 35
5. Mitigation . . . . . . . . . . . . . . . . . . . . . . 39
References . . . . . . . . . . . . . . . . . . . . . . . . 42
Chapter 2
MODELING OF MEMBRANE-ELECTRODE-ASSEMBLY
DEGRADATION IN PROTON-EXCHANGE-MEMBRANE
FUEL CELLS – LOCAL H2 STARVATION AND START–STOP
INDUCED CARBON-SUPPORT CORROSION
Wenbin Gu, Paul T. Yu, Robert N. Carter, Rohit Makharia, and
Hubert A. Gasteiger
1. Introduction . . . . . . . . . . . . . . . . . . . . . 45
2. Kinetic Model . . . . . . . . . . . . . . . . . . . 49
vii
viii Contents
2.1. ElectrodeKinetics . . . . . . . . . . . . . . . 49
2.2. Local H2 Starvation Model . . . . . . . . . . 54
2.3. Start–Stop Model . . . . . . . . . . . . . . . 57
3. Coupled Kinetic and Transport Model . . . . . . . 60
3.1. Model Description . . . . . . . . . . . . . . 60
3.2. Local H2 StarvationSimulation . . . . . . . . 63
3.3. Start–StopSimulation . . . . . . . . . . . . . 72
4. Pseudo-Capacitance Model . . . . . . . . . . . . . 76
4.1. Mechanism Description . . . . . . . . . . . . 76
4.2. Model Description . . . . . . . . . . . . . . 78
4.3. The Pseudo-capacitive Effect . . . . . . . . . 80
5. Summary andOutlook . . . . . . . . . . . . . . . 82
ListofSymbols . . . . . . . . . . . . . . . . . . . . . 83
References . . . . . . . . . . . . . . . . . . . . . . . . 85
Chapter 3
COLD START OF POLYMER ELECTROLYTE FUEL CELLS
Kazuya Tajiri and Chao-Yang Wang
1. Introduction . . . . . . . . . . . . . . . . . . . . . 89
2. Equilibrium Purge Cold Start . . . . . . . . . . . . 96
2.1. Equilibrium Purge . . . . . . . . . . . . . . . 96
2.2. IsothermalColdStart . . . . . . . . . . . . . 97
2.3. Proton Conductivity at Low Temperature . . . 97
2.4. EffectsofKeyParameters . . . . . . . . . . . 100
2.5. ORR Kinetics at Low Temperatures . . . . . 107
2.6. Short-Purge Cold Start . . . . . . . . . . . . 110
3. WaterRemovalDuringGasPurge . . . . . . . . . 112
3.1. Introduction . . . . . . . . . . . . . . . . . . 112
3.2. PurgeCurve . . . . . . . . . . . . . . . . . . 114
3.3. Two Characteristic Parameters for
WaterRemoval . . . . . . . . . . . . . . . . 115
3.4. Stages of Purge . . . . . . . . . . . . . . . . 117
3.5. Effect ofKeyParameters . . . . . . . . . . . 118
3.6. HFRRelaxation . . . . . . . . . . . . . . . . 124
4. Concluding Remarks . . . . . . . . . . . . . . . . 126
References . . . . . . . . . . . . . . . . . . . . . . . . 127
Contents ix
Chapter 4
SPECIES, TEMPERATURE, AND CURRENT DISTRIBUTION
MAPPING IN POLYMER ELECTROLYTE MEMBRANE FUEL
CELLS
Jonathan J. Martin, Jinfeng Wu, Xiao Zi Yuan,
and Haijiang Wang
1. Introduction . . . . . . . . . . . . . . . . . . . . . 129
2. Species Distribution Mapping . . . . . . . . . . . 130
2.1. Species and Properties of Interest . . . . . . . 130
2.2. Methodology and Results . . . . . . . . . . . 132
2.3. Design Implications . . . . . . . . . . . . . . 149
3. Temperature Distribution Mapping . . . . . . . . . 152
3.1. Methodology and Results . . . . . . . . . . . 153
3.2. Design Implications . . . . . . . . . . . . . . 155
4. Current Distribution Mapping . . . . . . . . . . . 156
4.1. Methodology and Results . . . . . . . . . . . 156
4.2. Design Implications . . . . . . . . . . . . . . 165
5. Concluding Remarks . . . . . . . . . . . . . . . . 166
References . . . . . . . . . . . . . . . . . . . . . . . . 167
Chapter 5
HIGH-RESOLUTION NEUTRON RADIOGRAPHY ANALYSIS
OF PROTON EXCHANGE MEMBRANE FUEL CELLS
D.S. Hussey and D.L. Jacobson
1. Introduction . . . . . . . . . . . . . . . . . . . . . 175
2. Neutron Radiography Facility Layout
AndDetectors . . . . . . . . . . . . . . . . . . . 177
2.1. Neutron Sources and Radiography Beamlines 177
2.2. Neutron ImagingDetectors . . . . . . . . . . 181
3. Water Metrology with Neutron Radiography . . . 184
3.1. Neutron Attenuation Coefficient of
Water, μw . . . . . . . . . . . . . . . . . . . 184
x Contents
3.2. Sources of Uncertainties in Neutron
Radiography . . . . . . . . . . . . . . . . . . 187
4. Recent In Situ High-Resolution Neutron
Radiography Experiments of PEMFCs . . . . . . . 195
4.1. Proof-of-Principle Experiments . . . . . . . . 195
4.2. In Situ, Steady-State Through-Plane
WaterContent . . . . . . . . . . . . . . . . . 196
4.3. Dynamic Through-Plane Mass
TransportMeasurements . . . . . . . . . . . 197
5. Conclusions . . . . . . . . . . . . . . . . . . . . . 198
References . . . . . . . . . . . . . . . . . . . . . . . . 199
Chapter 6
MAGNETIC RESONANCE IMAGING AND TUNABLE DIODE
LASER ABSORPTION SPECTROSCOPY FOR IN-SITU
WATER DIAGNOSTICS IN POLYMER ELECTROLYTE
MEMBRANE FUEL CELLS
Shohji Tsushima and Shuichiro Hirai
1. Introduction . . . . . . . . . . . . . . . . . . . . . 201
2. Magnetic Resonance Imaging (MRI): As
a Diagnostic Tool for In-Situ Visualization
of Water Content Distribution in PEMFCs . . . . . 202
2.1. BasicPrinciple ofMRI . . . . . . . . . . . . 202
2.2. MRI System Hardware for PEMFC
Visualization . . . . . . . . . . . . . . . . . 206
2.3. MRI Signal Calibration for Water
Content inPEM . . . . . . . . . . . . . . . . 209
2.4. In Situ Visualization of Water in
PEMFCUsingMRI . . . . . . . . . . . . . . 209
3. Tunable Diode Laser Absorption
Spectroscopy (TDLAS): As a Diagnostic
Tool for In-Situ Detection of Water Vapor
Concentration in PEMFCs . . . . . . . . . . . . . 213
3.1. BasicPrinciple ofTDLAS . . . . . . . . . . 213
3.2. TDLAS System Hardware for Water
Vapor Measurement . . . . . . . . . . . . . . 214
Contents xi
3.3. TDLAS Signal Calibration for
Measurement of Water Vapor Concentration . 216
3.4. In Situ Measurement of
Water Vapor in PEMFC
UsingTDLAS . . . . . . . . . . . . . . . . . 219
4. Summary . . . . . . . . . . . . . . . . . . . . . . 222
References . . . . . . . . . . . . . . . . . . . . . . . . 222
Chapter 7
CHARACTERIZATION OF THE CAPILLARY PROPERTIES OF
GAS DIFFUSION MEDIA
Jeffrey T. Gostick, Marios A. Ioannidis, Michael
W. Fowler, and Mark D. Pritzker
1. Introduction . . . . . . . . . . . . . . . . . . . . . 225
1.1. Motivation . . . . . . . . . . . . . . . . . . . 226
2. BasicConsiderations . . . . . . . . . . . . . . . . 229
3. Measurement of Capillary Pressure Curves . . . . 233
4. Interpretation of Capillary Pressure Curves . . . . 241
4.1. Capillary Pressure Hysteresis . . . . . . . . . 241
4.2. Effect of Hydrophobic Coating . . . . . . . . 244
4.3. Effect ofCompression . . . . . . . . . . . . 246
4.4. Water Breakthrough Condition . . . . . . . . 248
4.5. Finite-SizeEffects . . . . . . . . . . . . . . . 249
4.6. Effect of Microporous Layer . . . . . . . . . 249
5. Conclusion and Outlook . . . . . . . . . . . . . . 250
References . . . . . . . . . . . . . . . . . . . . . . . . 252
Chapter 8
MESOSCOPIC MODELING OF TWO-PHASE TRANSPORT IN
POLYMER ELECTROLYTE FUEL CELLS
Partha P. Mukherjee and Chao-Yang Wang
1. Introduction . . . . . . . . . . . . . . . . . . . . . 255
2. Model Description . . . . . . . . . . . . . . . . . 258
xii Contents
2.1. Stochastic Microstructure
Reconstruction Model . . . . . . . . . . . . . 258
2.2. Lattice Boltzmann Model . . . . . . . . . . . 264
3. Two-Phase Simulation . . . . . . . . . . . . . . . 271
3.1. Two-phase Transport Mechanism . . . . . . . 271
3.2. Two-phase Numerical Experiments
andSetup . . . . . . . . . . . . . . . . . . . 273
4. Two-Phase Behavior and Flooding Dynamics . . . 277
4.1. Structure-Wettability Influence . . . . . . . . 277
4.2. Effect ofGDLCompression . . . . . . . . . 284
4.3. Evaluation of Two-Phase Relations . . . . . . 288
4.4. Effect of Liquid Water on Performance . . . . 293
5. Summary andOutlook . . . . . . . . . . . . . . . 302
References . . . . . . . . . . . . . . . . . . . . . . . . 304
Chapter 9
ATOMISTIC MODELING IN STUDY OF POLYMER
ELECTROLYTE FUEL CELLS – A REVIEW
Xiangyang Zhou, Juanjuan Zhou, and Yijin Yin
1. Introduction . . . . . . . . . . . . . . . . . . . . . 307
2. Fundamentals of Atomistic Modeling . . . . . . . 312
2.1. Ab Initio Modeling of Materials . . . . . . . 312
2.2. Classical Molecular Dynamic Modeling . . . 317
2.3. MonteCarloModeling . . . . . . . . . . . . 320
2.4. Advancement of MD Methods . . . . . . . . 321
3. Modeling of Oxygen Electroreduction
ReactionCatalysts . . . . . . . . . . . . . . . . . 325
3.1. The InterfaceStructure . . . . . . . . . . . . 326
3.2. Chemsorption onCatalysts . . . . . . . . . . 339
3.3. Oxygen Electroreduction Reaction
with an Emphasis on Charge Transfer
atMetal/Water Interface . . . . . . . . . . . . 343
4. Modeling of Oxidation of Carbon
Monoxide and Methanol . . . . . . . . . . . . . . 354
4.1. “Vapor Phase” Model . . . . . . . . . . . . . 354
4.2. Realistic “Liquid Phase” Model . . . . . . . . 357
Contents xiii
5. Modeling of Transport Processes in
Nafion Polymer Electrolytes . . . . . . . . . . . . 360
5.1. Theoretical Views of Proton
Transport in Aqueous Systems and in
Hydrated Nafion Membranes . . . . . . . . . 360
5.2. Ab Initio Models . . . . . . . . . . . . . . . 363
5.3. Classic MD Models . . . . . . . . . . . . . . 367
5.4. Empirical Valence Bond and ReaXFF Models 371
6. SummarizingRemarks . . . . . . . . . . . . . . . 373
References . . . . . . . . . . . . . . . . . . . . . . . . 376
Index . . . . . . . . . . . . . . . . . . . . . . . . . . . 381
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