1st Edition
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.
Preface
Acknowledgments
Self-Organized Hybrid Membranes: Toward a Supramolecular Proton Conduction Function
Self-Organized Hybrid Membranes
Supramolecular Proton-Conduction Function
A Selected Application: PEMs
Conclusions
Design and Applications of Multifunctional Catalysts Based on Inorganic Oxides
Heterogeneous Multifunctional Catalyst: One System for Several Transformations
Design and Preparation of Multifunctional Catalysts
Multifunctional Catalysts in Chemical Synthesis
Relevant Examples
Concluding Remarks
Use of Chemometric Analysis in the Characterization of the Adsorption Properties of Nanoporous Solids
Overview
Introduction
Experimental
Results and Discussion
Molecular Modeling and Polymer Behavior
Introduction
Force Fields
Realization of Amorphous Packing Models
Characterization of Polymer Structure and Behavior from Atomistic Simulations
Summary
Modeling of Gas Transport Properties and its use for Structural Characterization of Mesoporous Solids
Introduction
Dilute Nonadsorbed Gas Flow (Knudsen Regime)
Dilute Adsorbable Gas Flow (Henry Law Adsorption Region)
Vapor Transport in the Multilayer Adsorption Region
Membrane Modeling and Simulation Across Scales
Introduction to Multiscale Modeling
Mechanisms of Transport in Membranes
Atomistic Reconstruction of Inorganic Membrane Materials
Simulation of Sorption
Simulation of Diffusion: Molecular Dynamics
Coarse Graining: "Reduced Representations"
Mesoscopic Scale Modeling of Membrane Structure
Simulation of Diffusion at the Mesoscopic Scale
Lattice-Boltzmann Method
Direct Simulation Monte Carlo Method
Concluding Remarks
Hybrid Modeling of Membrane Processes
Overview
Introduction
Why Hybrid Modeling
Hybrid Modeling Applied to Membrane Science and Engineering
Selected Case Studies
Future Trends and Challenges
Membranes for Energy
Clean Refineries
Zero Emission Coal Plants
Fuel Cells
Electrolysis and Water Splitting
Batteries
Osmotic Power
Carbon Nanotubes for Energy Applications
CNTs for LIB Application
CNTs for Supercapacitor Application
CNTs in Polymer Electrolyte Membrane Fuel Cells
Conclusions and Outlooks
Ceramic Membranes for Gas Treatment and Separation
Materials and Architectures
Applications
Applications Involving Multifunctional Materials or Devices
Conclusion
Multifunctionnal Membranes Based on Photocatalytic Nanomaterials
Basic Principles on Photocatalysis and Membranes
TiO2 Anatase-Based Membranes
ZnO-Based Membranes
Membrane Shaping and Integration
Conclusion
Nanostructured Titania Thin Films for Solar Use in Energy Applications
Requirements of Titania Photoanode for PEC Solar Cells
Preparation and Photoresponse of Titania Nanotube Ordered Arrays
Titania Nanomembrane
Titania Nanostructured Films for DSC Applications
Conclusions and Outlooks
Inorganic Membrane Reactors for Energy Applications
Pd Membrane Reactors for Hydrogen Production
Oxygen Selective Membrane Reactors 28713.3 Other Developments
Recent Developments at the University of Zaragoza
Conclusions
Index
Biography
Professor Gabriele Centi
Dr. Nick Kanellopoulos, Materials & Membranes for Environmental Applications Laboratory, National Center for Scientific Research "Demokritos", Athens, Greece
"This book addresses an important factor for the future of both energy production and environmental protection. To address these competing issues, new materials will be needed with the appropriate properties. Given the large spectrum of applications (separations, catalysis, etc.), there will not be one solution but a range of options. Thus, a book dedicated to both these material needs as well as the various applications is very timely."
—Prof. Richard D. Noble - University of Colorado, USA