Nanoporous materials for energy and the environment

This book disseminates and discusses relevant best case examples and research practices that show how nanomaterial research and related engineering concepts may provide answers and viable solutions to a variety of socioeconomic issues and concerns. The first section is dedicated to the development of new materials and their characterization. The second section addresses modeling and scale transition (from and to nanoscale) processes, and the third section presents applications in the environmental and energy sectors.

Nanoporous Materials for Energy and the Environment covers a wide selection of subjects ranging from modeling and material design to the preparation and use of nanoporous catalysts, adsorbents, and membranes. The topics discussed include proton exchange membranes; carbon nanotube (CNT)-based electrodes for fuel cells; advanced design of lithium batteries and supercapacitors using CNTs; multifunctional catalyst for biomass conversion; advanced characterization and modeling of nanomaterials and membranes (including gas transport and multiscale modeling); use of membranes in energy applications, gas treatment, and separations; and development of multifunctional photoactive membranes and of nanoordered 2D photoactive titania films and membranes.

Author Notes

Gilbert M. Rios is head of the Department of Chemical Engineering at the cole Nationale Suprieure de Chimie de Montpellier. A well-recognized expert in the field of membrane technologies, Prof. Rios is the author of more than 120 papers published in international journals or congress proceedings and more than 100 oral or poster presentations in international conferences. His other research interests include supercritical fluids and fluidization. At present Prof. Rios acts as CEO of the European Membrane House (www.euromemhouse.com) and is involved in other EU projects as well.
Gabriele Centi is full professor of Industrial Chemistry at the University of Messina, Italy. He was president of the European Federation of Catalysis Societies (EFCATS) and is president of the European Research Institute for Catalysis (ERIC) as well as director of the Section Energy and Environment of INSTM. Prof. Centi is chair of the editorial board of the journal ChemSusChem and chief editor of the book series "Studies in Surface Science and Catalysis" and "Green Energy." His main research activities are in the field of heterogeneous catalysis and development of sustainable industrial processes.
Nick Kanellopoulos obtained his PhD from the Department of Chemical Engineering, University of Rochester, New York, in 1975, and his chemical engineering diploma from the National Technical University of Athens in 1970. He joined the Mass Transport Laboratory, Institute of Physical Chemistry, NCSR Demokritos, in 1976, and since 1992 he is the head of the "Membranes for Environmental Separations" Laboratory (MESL), NCSR Demokritos. Dr. Kanellopoulos's research interests are pore structure characterization of nanoporous membrane and carbon nanotube systems and the evaluation of their performance using combination of in situ and ex situ techniques.

Preface	p. xi
Acknowledgments	p. xv
1 Self-Organized Hybrid Membranes: Toward a Supramolecular Proton Conduction Function	p. 1
1.1 Self-Organized Hybrid Membranes	p. 2
1.2 Supramolecular Proton-Conduction Function	p. 5
1.3 A Selected Application: PEMs	p. 6
1.4 Conclusions	p. 9
2 Design and Applications of Multifunctional Catalysts Based on Inorganic Oxides	p. 13
2.1 Heterogeneous Multifunctional Catalyst: One System for Several Transformations	p. 13
2.2 Design and Preparation of Multifunctional Catalysts	p. 15
2.3 Multifunctional Catalysts in Chemical Synthesis	p. 21
2.4 Relevant Examples	p. 22
2.4.1 Concerted Catalysis	p. 22
2.4.1.1 Catalytic reactions occurring on acid-base bifunctional heterogeneous catalysts	p. 22
2.4.1.2 Bifunctional catalysts for Heck reactions	p. 29
2.4.1.3 Other examples of concerted catalysis	p. 30
2.4.2 Tandem Catalysis	p. 31
2.5 Concluding Remarks	p. 43
3 Use of Chemometric Analysis in the Characterization of the Adsorption Properties of Nanoporous Solids	p. 55
3.1 Overview	p. 55
3.2 Introduction	p. 56
3.3 Experimental	p. 59
3.4 Results and Discussion	p. 59
4 Molecular Modeling and Polymer Behavior	p. 71
4.1 Introduction	p. 71
4.2 Force Fields	p. 72
4.3 Realization of Amorphous Packing Models	p. 77
4.4 Characterization of Polymer Structure and Behavior from Atomistic Simulations	p. 80
4.4.1 Characterization of Free Volume and Its Distribution in Glassy Polymers	p. 81
4.4.2 Mobility of Polymer Matrix and Diffusion of Small Molecules	p. 85
4.5 Summary	p. 88
5 Modeling of Gas Transport Properties and its use for Structural Characterization of Mesoporous Solids	p. 91
5.1 Introduction	p. 91
5.2 Dilute Nonadsorbed Gas Flow (Knudsen Regime)	p. 92
5.2.1 Capillary Bundle Models	p. 93
5.2.2 Heteroporous Network Model	p. 94
5.2.2.1 Relative gas permeability	p. 95
5.2.3 Macroscopic Modeling	p. 96
5.2.3.1 Systematic permeation time-lag analysis	p. 97
5.2.3.2 Interpretation of helium permeation data	p. 99
5.3 Dilute Adsorbable Gas Flow (Henry Law Adsorption Region)	p. 102
5.3.1 Heteroporous Network Model with Conventional Physics of Flow	p. 102
5.3.2 Advanced Modeling of the Physics of Flow	p. 104
5.4 Vapor Transport in the Multilayer Adsorption Region	p. 107
6 Membrane Modeling and Simulation Across Scales	p. 113
6.1 Introduction to Multiscale Modeling	p. 113
6.2 Mechanisms of Transport in Membranes	p. 116
6.3 Atomistic Reconstruction of Inorganic Membrane Materials	p. 117
6.4 Simulation of Sorption	p. 118
6.5 Simulation of Diffusion: Molecular Dynamics	p. 119
6.6 Coarse Graining: "Reduced Representations"	p. 120
6.7 Mesoscopic Scale Modeling of Membrane Structure	p. 121
6.8 Simulation of Diffusion at the Mesoscopic Scale	p. 124
6.9 Lattice-Boltzmann Method	p. 127
6.10 Direct Simulation Monte Carlo Method	p. 128
6.11 Concluding Remarks	p. 129
7 Hybrid Modeling of Membrane Processes	p. 133
7.1 Overview	p. 133
7.2 Introduction	p. 134
7.3 Why Hybrid Modeling	p. 134
7.4 Hybrid Modeling Applied to Membrane Science and Engineering	p. 140
7.5 Selected Case Studies	p. 141
7.5.1 Solvent-Resistant NF	p. 141
7.5.2 Membrane Bioreactors	p. 148
7.6 Future Trends and Challenges	p. 153
8 Membranes for Energy	p. 157
8.1 Clean Refineries	p. 160
8.2 Zero Emission Coal Plants	p. 162
8.3 Fuel Cells	p. 164
8.4 Electrolysis and Water Splitting	p. 166
8.5 Batteries	p. 167
8.6 Osmotic Power	p. 167
9 Carbon Nanotubes for Energy Applications	p. 173
9.1 CNTs for LIB Application	p. 174
9.1.1 Lithium-Ion Storage in CNTs	p. 175
9.1.2 CNTs as Active Materials for Electrode	p. 177
9.1.3 CNTs as Additive Materials for Electrodes	p. 179
9.1.4 CNTs-Based Composites Materials for Electrodes	p. 180
9.2 CNTs for Supercapacitor Application	p. 182
9.2.1 CNTs as Active Materials for Supercapacitors	p. 183
9.2.2 CNT-Based Composite Materials for Supercapacitors	p. 185
9.2.3 Pseudocapacitance of CNTs and CNT-Based Materials	p. 186
9.3 CNTs in Polymer Electrolyte Membrane Fuel Cells	p. 186
9.3.1 Role of Defects and Surface Characteristics in CNTs	p. 190
9.3.2 Role of Three-Phase Boundary	p. 193
9.4 Conclusions and Outlooks	p. 194
10 Ceramic Membranes for Gas Treatment and Separation	p. 203
10.1 Materials and Architectures	p. 205
10.2 Applications	p. 209
10.2.1 Membranes for Gas Separation	p. 209
10.2.1.1 Microporous membranes	p. 209
10.2.1.2 Dense membranes for transport of O 2 and H 2	p. 212
10.2.2 Particle Filters	p. 215
10.3 Applications Involving Multifunctional Materials or Devices	p. 218
10.3.1 General Considerations on Membrane Reactors	p. 218
10.3.2 Membrane Reactors with Catalytic Ceramic Membranes	p. 221
10.3.2.1 Catalyst dispersed in an inert porous membrane	p. 222
10.3.2.2 Inherently catalytic membranes	p. 223
10.3.2.3 Photocatalytic membranes	p. 224
10.3.3 Other Multifunctional Devices Involving Ceramic Membranes	p. 225
10.3.3.1 Catalytic particle filters for Diesel engine exhaust gas treatment	p. 225
10.3.3.2 Ceramic membranes with adsorptive properties	p. 227
10.4 Conclusion	p. 228
11 Multifunctionnal Membranes Based on Photocatalytic Nanomaterials	p. 231
11.1 Basic Principles on Photocatalysis and Membranes	p. 232
11.2 TiO 2 Anatase-Based Membranes	p. 237
11.2.1 Experimental Details	p. 237
11.2.2 Results and Discussion	p. 239
11.2.2.1 Mesoporous anatase membranes: Configuration 1	p. 243
11.2.2.2 Photoactive supports: Configuration 2	p. 245
11.3 ZnO-Based Membranes	p. 246
11.3.1 Experimental Details	p. 247
11.3.2 Results and Discussion	p. 248
11.3.2.1 Membrane properties	p. 249
11.3.2.2 Photoactivity	p. 250
11.4 Membrane Shaping and Integration	p. 251
11.5 Conclusion	p. 252
12 Nanostructured Titania Thin Films for Solar Use in Energy Applications	p. 257
12.1 Requirements of Titania Photoanode for PEC Solar Cells	p. 258
12.2 Preparation and Photoresponse of Titania Nanotube Ordered Arrays	p. 261
12.2.1 Role of the Nanostructure	p. 263
12.2.2 Visible Light Absorption	p. 267
12.3 Titania Nanomembrane	p. 272
12.4 Titania Nanostructured Films for DSC Applications	p. 274
12.5 Conclusions and Outlooks	p. 276
13 Inorganic Membrane Reactors for Energy Applications	p. 283
13.1 Pd Membrane Reactors for Hydrogen Production	p. 284
13.2 Oxygen Selective Membrane Reactors	p. 287
13.3 Other Developments	p. 288
13.4 Recent Developments at the University of Zaragoza	p. 289
13.4.1 Glycerol Upgrading	p. 289
13.4.2 Methanol Formation	p. 290
13.4.3 Methane Aromatization	p. 291
13.5 Conclusions	p. 294
Index	p. 299

Available:*

On Order

Summary

Summary

Author Notes

Table of Contents