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 anduse of nanoporous catalysts, adsorbents, and membranes. The topics discussedinclude 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.

PrefaceAcknowledgmentsSelf-Organized Hybrid Membranes: Toward a Supramolecular Proton Conduction FunctionSelf-Organized Hybrid MembranesSupramolecular Proton-Conduction FunctionA Selected Application: PEMsConclusionsDesign and Applications of Multifunctional Catalysts Based on Inorganic OxidesHeterogeneous Multifunctional Catalyst: One System for Several TransformationsDesign and Preparation of Multifunctional CatalystsMultifunctional Catalysts in Chemical SynthesisRelevant ExamplesConcluding RemarksUse of Chemometric Analysis in the Characterization of the Adsorption Properties of Nanoporous SolidsOverviewIntroductionExperimentalResults and DiscussionMolecular Modeling and Polymer BehaviorIntroductionForce FieldsRealization of Amorphous Packing ModelsCharacterization of Polymer Structure and Behavior from Atomistic SimulationsSummaryModeling of Gas Transport Properties and its use for Structural Characterization of Mesoporous SolidsIntroductionDilute Nonadsorbed Gas Flow (Knudsen Regime)Dilute Adsorbable Gas Flow (Henry Law Adsorption Region)Vapor Transport in the Multilayer Adsorption RegionMembrane Modeling and Simulation Across ScalesIntroduction to Multiscale ModelingMechanisms of Transport in MembranesAtomistic Reconstruction of Inorganic Membrane MaterialsSimulation of SorptionSimulation of Diffusion: Molecular DynamicsCoarse Graining: "Reduced Representations"Mesoscopic Scale Modeling of Membrane StructureSimulation of Diffusion at the Mesoscopic ScaleLattice-Boltzmann MethodDirect Simulation Monte Carlo MethodConcluding RemarksHybrid Modeling of Membrane ProcessesOverviewIntroductionWhy Hybrid ModelingHybrid Modeling Applied to Membrane Science and EngineeringSelected Case StudiesFuture Trends and ChallengesMembranes for EnergyClean RefineriesZero Emission Coal PlantsFuel CellsElectrolysis and Water SplittingBatteriesOsmotic PowerCarbon Nanotubes for Energy ApplicationsCNTs for LIB ApplicationCNTs for Supercapacitor ApplicationCNTs in Polymer Electrolyte Membrane Fuel CellsConclusions and OutlooksCeramic Membranes for Gas Treatment and SeparationMaterials and ArchitecturesApplications Applications Involving Multifunctional Materials or DevicesConclusionMultifunctionnal Membranes Based on Photocatalytic NanomaterialsBasic Principles on Photocatalysis and MembranesTiO2 Anatase-Based MembranesZnO-Based MembranesMembrane Shaping and IntegrationConclusionNanostructured Titania Thin Films for Solar Use in Energy ApplicationsRequirements of Titania Photoanode for PEC Solar Cells Preparation and Photoresponse of Titania Nanotube Ordered Arrays Titania NanomembraneTitania Nanostructured Films for DSC ApplicationsConclusions and OutlooksInorganic Membrane Reactors for Energy ApplicationsPd Membrane Reactors for Hydrogen ProductionOxygen Selective Membrane Reactors 28713.3 Other DevelopmentsRecent Developments at the University of ZaragozaConclusions Index

ProfessorGabriele Centi, Department of Industrial Chemistry and Engineering of Materials, University of Messina,Italy Dr. Nick Kanellopoulos, Materials & Membranes for Environmental Applications Laboratory, National Center for Scientific Research "Demokritos", Athens, Greece