《Modeling and Diagnostics of Polymer Electrolyte Fuel Cells》

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《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

《Modeling and Diagnostics of Polymer Electrolyte Fuel Cells》

《Modeling and Diagnostics of Polymer Electrolyte Fuel Cells》

《Modeling and Diagnostics of Polymer Electrolyte Fuel Cells》

《Modeling and Diagnostics of Polymer Electrolyte Fuel Cells》

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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