Details

Diffusion in Nanoporous Materials


Diffusion in Nanoporous Materials


1. Aufl.

von: Jörg Kärger, Douglas M. Ruthven, Doros N. Theodorou

368,99 €

Verlag: Wiley-VCH
Format: PDF
Veröffentl.: 30.08.2012
ISBN/EAN: 9783527651306
Sprache: englisch
Anzahl Seiten: 902

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Beschreibungen

<p>Atoms and molecules in all states of matter are subject to continuous irregular movement. This process, referred to as diffusion, is among the most general and basic phenomena in nature and determines the performance of many technological processes.</p> <p>This book provides an introduction to the fascinating world of diffusion in microporous solids. Jointly written by three well-known researchers in this field, it presents a coherent treatise, rather than a compilation of separate review articles, covering the theoretical fundamentals, molecular modeling, experimental observation and technical applications.</p> <p>Based on the book <i>Diffusion in Zeolites and other Microporous Solids</i>, originally published in 1992, it illustrates the remarkable speed with which this field has developed since that time.</p> <p>Specific topics include: new families of nanoporous materials, micro-imaging and single-particle tracking, direct monitoring of transient profiles by interference microscopy, single-file diffusion and new approaches to molecular modeling.</p>
Volume 1<br> <br> PART I: Introduction<br> <br> ELEMENTARY PRINCIPLES OF DIFFUSION<br> Fundamental Definitions<br> Driving Force for Diffusion<br> Diffusional Resistances in Nanoporous Media<br> Experimental Methods<br> <br> PART II: Theory<br> <br> DIFFUSION AS A RANDOM WALK<br> Random Walk Model<br> Correlation Effects <br> Boundary Conditions<br> Macroscopic and Microscopic Diffusivities<br> Correlating Self-Diffusion and Diffusion with a Simple Jump Model<br> Anomalous Diffusion <br> <br> DIFFUSION AND NON-EQUILIBRIUM THERMODYNAMICS <br> Generalized Forces and Fluxes <br> Self-Diffusion and Diffusive Transport<br> Generalized Maxwell -<br> Stefan Equations<br> Application of the Maxwell -<br> Stefan Model<br> Loading Dependence of Self- and Transport Diffusivities <br> Diffusion at High Loadings and in Liquid-Filled Pores <br> <br> DIFFUSION MECHANISMS <br> Diffusion Regimes <br> Diffusion in Macro- and Mesopores <br> Activated Diffusion 99<br> Diffusion in More Open Micropore Systems<br> <br> SINGLE-FILE DIFFUSION<br> Infinitely Extended Single-File Systems<br> Finite Single-File Systems<br> Experimental Evidence <br> <br> SORPTION KINETICS<br> Resistances to Mass and Heat Transfer <br> Mathematical Modeling of Sorption Kinetics <br> Sorption Kinetics for Binary Mixtures <br> <br> PART III: Molecular Modeling <br> <br> CONSTRUCTING MOLECULAR MODELS AND SAMPLING EQUILIBRIUM PROBABILITY DISTRIBUTIONS <br> Models and Force Fields for Zeolite -<br> Sorbate Systems <br> Monte Carlo Simulation Methods<br> Free Energy Methods for Sorption Equilibria <br> Coarse-Graining and Potentials of Mean Force <br> <br> MOLECULAR DYNAMICS SIMULATIONS <br> Statistical Mechanics of Diffusion <br> Equilibrium Molecular Dynamics Simulations<br> Non-Equilibrium Molecular Dynamics Simulations<br> <br> INFREQUENT EVENT TECHNIQUES FOR SIMULATING DIFFUSION IN MICROPOROUS SOLIDS <br> Statistical Mechanics of Infrequent Events <br> Tracking Temporal Evolution in a Network of States<br> Example Applications of Infrequent Event Analysis and Kinetic Monte Carlo for the Prediction of Diffusivities in Zeolites<br> <br> PART IV: Measurement Methods<br> MEASUREMENT OF ELEMENTARY DIFFUSION PROCESSES<br> NMR Spectroscopy<br> Diffusion Measurements by Neutron Scattering <br> Diffusion Measurements by Light Scattering <br> <br> DIFFUSION MEASUREMENT BY MONITORING MOLECULAR DISPLACEMENT <br> Pulsed Field Gradient (PFG) NMR: Principle of Measurement <br> The Complete Evidence of PFG NMR <br> Experimental Conditions, Limitations, and Options for PFG NMR Diffusion Measurement <br> Different Regimes of PFG NMR Diffusion Measurement<br> Experimental Tests of Consistency <br> Single-Molecule Observation <br> <br> IMAGING OF TRANSIENT CONCENTRATION PROFILES <br> Different Options of Observation <br> Monitoring Intracrystalline Concentration Profiles by IR and Interference Microscopy <br> New Options for Experimental Studies <br> <br> DIRECT MACROSCOPIC MEASUREMENT OF SORPTION AND TRACER EXCHANGE RATES <br> Gravimetric Methods <br> Piezometric Method 433<br> Macro FTIR Sorption Rate Measurements <br> Rapid Recirculation Systems <br> Differential Adsorption Bed 441<br> Analysis of Transient Uptake Rate Data <br> Tracer Exchange Measurements<br> Frequency Response Measurements <br> <br> CHROMATOGRAPHIC AND PERMEATION METHODS OF MEASURING INTRAPARTICLE DIFFUSION <br> Chromatographic Method<br> Deviations from the Simple Theory<br> Experimental Systems for Chromatographic Measurements <br> Analysis of Experimental Data <br> Variants of the Chromatographic Method<br> Chromatography with Two Adsorbable Components <br> Zero-Length Column (ZLC) Method <br> TAP System <br> Membrane Permeation Measurements <br> <br> <br> <br> <br> Volume 2<br> <br> PART V: Diffusion in Selected Systems <br> <br> AMORPHOUS MATERIALS AND EXTRACRYSTALLINE (MESO/MACRO) PORES<br> Diffusion in Amorphous Microporous Materials <br> Effective Diffusivity <br> Diffusion in Ordered Mesopores <br> Surface Diffusion <br> Diffusion in Liquid-Filled Pores <br> Diffusion in Hierarchical Pore Systems <br> Diffusion in Beds of Particles and Composite Particles <br> More Complex Behavior: Presence of a Condensed Phase <br> <br> EIGHT-RING ZEOLITES <br> Eight-Ring Zeolite Structures <br> Diffusion in Cation-Free Eight-Ring Structures <br> Diffusion in 4A Zeolite <br> Diffusion in 5A Zeolite <br> General Patterns of Behavior in Type A Zeolites <br> Window Blocking <br> Variation of Diffusivity with Carbon Number <br> Diffusion of Water Vapor in LTA Zeolites<br> Deactivation, Regeneration, and Hydrothermal Effects <br> Anisotropic Diffusion in CHA <br> Concluding Remarks <br> <br> 17 LARGE PORE (12-RING) ZEOLITES <br> Structure of X and Y Zeolites <br> Diffusion of Saturated Hydrocarbons <br> Diffusion of Unsaturated and Aromatic Hydrocarbons In NaX <br> Other Systems <br> PFG NMR Diffusion Measurements with Different Probe Nuclei<br> Self-diffusion in Multicomponent Systems<br> <br> MEDIUM-PORE (TEN-RING) ZEOLITES <br> MFI Crystal Structure <br> Diffusion of Saturated Hydrocarbons <br> Diffusion of Aromatic Hydrocarbons <br> Adsorption from the Liquid Phase<br> Microscale Studies of other Guest Molecules<br> Surface Resistance and Internal Barriers <br> Diffusion Anisotropy <br> Diffusion in a Mixed Adsorbed Phase <br> Guest Diffusion in Ferrierite <br> <br> METAL ORGANIC FRAMEWORKS (MOFS) <br> A New Class of Porous Solids <br> MOF-5 and HKUST-1: Diffusion in Pore Spaces with the Architecture of Zeolite LTA<br> Zeolitic Imidazolate Framework 8 (ZIF-8) <br> Pore Segments in Single-File Arrangement: Zn(tbip) <br> Breathing Effects: Diffusion in MIL-53 <br> Surface Resistance <br> Concluding Remarks <br> <br> PART VI: Selected Applications<br> <br> ZEOLITE MEMBRANES<br> Zeolite Membrane Synthesis <br> Single-Component Permeation <br> Separation of Gas Mixtures <br> Modeling Permeation of Binary Mixtures<br> Membrane Characterization <br> Membrane Separation Processes<br> <br> DIFFUSIONAL EFFECTS IN ZEOLITE CATALYSTS <br> Diffusion and Reaction in a Catalyst Particle<br> Determination of Intracrystalline Diffusivity from Measurements of Reaction Rate <br> Direct Measurement of Concentration Profiles during a Diffusion-Controlled Catalytic Reaction <br> Diffusional Restrictions in Zeolite Catalytic Processes <br> Coking of Zeolite Catalysts <br>
Jorg Karger was educated at the University of Leipzig where, in 1994, he was appointed Professor of Experimental Physics and Head of the Department of Interface Physics. To promote the subject he organized a series of popular lectures with demonstration experiments that attracted considerable attention and even an entry in the Guinness Book of Records for the largest bicycle bell orchestra! He is the founding editor of the on-line journal/conference series Diffusion Fundamentals (2005) and co-author of the first edition of the present book (Wiley, New York, 1992). He has received the Gustav-Hertz Prize of the German Physical Society (1978), the Donald Breck Award of the International Zeolite Association (1986) and the Max Planck Research Award (1993). He was elected to the Saxonian Academy of Sciences in 2000.<br> <br> Douglas Ruthven was educated at the University of Cambridge. He served as a professor of Chemical Engineering at the University of New Brunswick, Canada (1966 - 1995) and at the University of Maine (1995 - 2010) where he was Chair of the Chemical Engineering Department. In addition to the fi rst edition of the present book (Wiley, New York, 1992) he is the author of Principles of Adsorption and Adsorption Processes (John Wiley, New York, 1984), co-author of Pressure Swing Adsorption (Wiley-VCH, New York, 1994). His awards include the Max Planck Research Award (1993), a Century of Achievement Award from the Canadian Society for Chemical Engineering (1997) and a Humboldt Senior Fellowship (2002). He was elected a Fellow of the Royal Society of Canada in 1989.<br> <br> Doros Theodorou is Professor of Chemical Engineering at the National Technical University of Athens. After obtaining his Diploma at NTU Athens and his M.S. (1983) and PhD (1985) from M.I.T., he taught for nine years at the University of California, Berkeley, resigning as full professor to return to Greece in 1995. He was among the first to exploit the power of numerical simulation to study adsorption kinetics and equilibria. His recent research has focused on the development and application of new, hierarchical computational methods for understanding and predicting the properties of materials from their chemical constitution. His work has been recognized by a Presidential Young Investigator award from the National Science Foundation (USA) (1988 - 1992), the 1996 Bodossakis Award for Chemistry, and the Danckwerts Lectureship (2006) awarded by the American Institute of Chemical Engineers. He is a member of the National Council of Research and Technology of Greece.
<p>Atoms and molecules in all states of matter are subject to continuous irregular movement. This process, referred to as diffusion, is among the most general and basic phenomena in nature and determines the performance of many technological processes. <br />This book provides an introduction to the fascinating world of diffusion in microporous solids. Jointly written by three well known researchers in this field, it presents a coherent treatise, rather than a compilation of separate review articles, covering the theoretical fundamentals, molecular modeling, experimental observation and technical applications. <br />Based on the book <i>Diffusion in Zeolites and other Microporous Solids</i>, originally published in 1992, it illustrates the remarkable speed with which this field has developed since that time. <br />Specific topics include: new families of nanoporous materials, micro-imaging and single particle tracking, direct monitoring of transient profiles by interference microscopy, single file diffusion and new approaches to molecular modeling.</p>

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