Fluid Transport in Nanoporous Materials: Proceedings of the NATO Advanced Study Institute, held in La Colle sur Loup, France, 16-28 June 2003 (NATO Science ... II: Mathematics, Physics and Chemistry)

This NATO ASI involved teachings and perspectives of the state-of-the-art in experimental and theoretical understandings of transport in nanoporous solids. This workshop brought together the top scientists and engineers in each area to discuss the similarities and differences in each technique and theory. The lectures truly bridge the gaps between these related areas and approaches. The applications in future separations, catalysis, the environment and energy needs are obvious. The solids comprised the newly developing molecular sieves, biological systems and polymeric solids. Transport in single particles, in membranes and in commercial applications were reviewed and analyzed, placing each in context. Techniques such as uptake, Chromatographic, Frequency Response, NMR, Neutron Scattering and Infrared spectroscopies are discussed for mixtures as well as for single components. Theoretical approaches such as Density Functional Theory, Statistical Mechanics, Molecular Dynamics and Maxwell-Stefan Theory are employed to analyze the diffusional transport in confined environments, spanning from sub-nanometers to centimetre scales. In all cases the theories are related to the experiments. These lectures present a uniquq opportunity to learn the various theoretical and experimental approaches to analyze and understand transport in nanoporous materials. Fluid Transport in Nanoporous Materials......Page 1 CONTENTS......Page 5 PREFACE......Page 9 NATO-ASI FLUID TRANSPORT IN NANOPOROUS MATERIALSCOURSE......Page 13 TRANSPORT IN MICROPOROUS SOLIDS: AN HISTORICAL PERPECTIVE......Page 20 MEASUREMENT OF DIFFUSION IN MACROMOLECULARSYSTEMS: SOLUTE DIFFUSION IN POLYMERS SYSTEMS......Page 51 THE ROLE OF DIFFUSION IN APPLICATIONS OF NOVELNANOPOROUS MATERIALS AND IN NOVEL USES OFTRADITIONAL MATERIALS......Page 79 MODELING JUMP DIFFUSION IN ZEOLITES: I. PRINCIPLES ANDMETHODS......Page 102 ADSORPTION, THERMODYNAMICS AND MOLECULARSIMULATIONS OF CYCLIC HYDROCARBONS IN SILICALITE-1AND ALPO4-5 ZEOLITES......Page 134 TRANSPORT IN MICROPOROUS SOLIDSPart II: Measurement of Micropore Diffusivities......Page 160 STRUCTURE-RELATED ANOMALOUS DIFFUSION IN ZEOLITES......Page 196 THE CONTRIBUTION OF SURFACE DIFFUSION TO TRANSPORT INNANOPOROUS SOLIDS......Page 204 THE MAXWELL-STEFAN FORMULATION OF DIFFUSION INZEOLITES......Page 220 SENSITIVITY AND RESOLUTION IN MAGNETIC RESONANCEIMAGING OF DIFFUSIVE MATERIALS......Page 250 RESTRICTED DIFFUSION AND MOLECULAR EXCHANGEPROCESSES IN POROUS MEDIA AS STUDIED BY PULSED FIELDGRADIENT NMR......Page 263 VIBRATIONAL SPECTROSCOPY TO MONITOR SYNTHESIS,ADSORPTION AND DIFFUSION IN MICRO- AND MESOPOROUSMETAL PHOSPHATES......Page 287 NITROGEN – OXYGEN DIFFUSION IN ZEOLITES STUDIED BYDRIFT......Page 307 129Xe NMR FOR DIFFUSION OF HYDROCARBONS IN ZEOLITESAND 1H NMR IMAGING FOR COMPETITIVE DIFFUSION OFBINARY MIXTURES OF HYDROCARBONS IN ZEOLITES......Page 323 DIFFUSION IN ZEOLITES MEASURED BY NEUTRONSCATTERING TECHNIQUES......Page 341 NMR IMAGING AS A TOOL FOR STUDYING MASSTRANSPORT IN POROUS MATERIALS......Page 361 PFG NMR DIFFUSION STUDIES OF NANOPOROUS MATERIALS......Page 383 DIFFUSION OF CYCLIC HYDROCARBONS IN ZEOLITES BYFREQUENCY-RESPONSE AND MOLECULAR SIMULATIONMETHODS......Page 390 SURFACE DIFFUSION OF LIQUIDS IN DISORDERED NANOPORESAND MATERIALS: A FIELD CYCLING RELAXOMETRYAPPROACH......Page 421 NEW TRENDS ON MEMBRANE SCIENCE......Page 444 THE IONIC AND MOLECULAR TRANSPORT IN POLYMERIC ANDBIOLOGICAL MEMBRANES ON MAGNETIC RESONANCE DATA......Page 485 MOLECULAR MODELING: A COMPLEMENT TO EXPERIMENT INMATERIAL RESEARCH FOR NON CRYOGENIC GASSEPARATION TECHNOLOGIES......Page 512 MODELING JUMP DIFFUSION IN ZEOLITES: II. APPLICATIONS......Page 537 DYNAMICS OF WATER SORPTION ON COMPOSITES “CaCl2 INSILICA”: SINGLE GRAIN, GRANULATED BED, CONSOLIDATEDLAYER......Page 554 EFFECT OF CARBONACEOUS COMPOUNDS ON DIFFUSIONOF ALKANES IN 5A ZEOLITE......Page 567 APPLICATION OF INTERFERENCE AND IR MICROSCOPY FORSTUDIES OF INTRACRYSTALLINE MOLECULAR TRANSPORT INAFI TYPE ZEOLITES......Page 574 COAL CHARACTERIZATION FOR CARBON DIOXIDESEQUESTRATION PURPOSES......Page 581 EFFECT OF THE INTRAWALL MICROPOROSITY ON THEDIFFUSION CHARACTERIZATION OF BI-POROUS SBA-15MATERIALS......Page 589 ESTRUCTURE OF A SINGLE-SPECIES-FLUID IN A SPHERICAL PORE ......Page 601 CARBON MOLECULAR SIEVE MEMBRANES:CHARACTERISATION AND APPLICATION TO XENONRECYCLING......Page 610 AN EXPERIMENTAL STUDY OF THE STATE OF HEXANE IN ACONFINED GEOMETRY......Page 616 A MODEL FOR SOUND PROPAGATION IN THE PRESENCE OFMICROPOROUS SOLIDS......Page 625 MATHEMATICAL MODELLING AND RESEARCH FOR DIFFUSIONPROCESSES IN MULTILAYER AND NANOPOROUS MEDIA......Page 634 NEURONAL NETWORK USED FOR INVESTIGATION OF WATERIN POLYMER GELS......Page 651 DEPENDENCE OF SELF-DIFFUSION COEFFICIENT ONGEOMETRICAL PARAMETERS OF POROUS MEDIA......Page 665 INDEX......Page 671 The last several years have seen a dramatic increase in the synthesis of new nanoporous materials. The most promising include molecular sieves which are being developed as inorganic or polymeric systems with 0. 3-30nm in pore dimensions. These nanoporous solids have a broad spectrum of applications in chemical and biochemical processes. The unique applications of molecular sieves are based on their sorption and transport selectivity. Yet, the transport processes in nanoporous systems are not understood well. At the same time, the theoretical capabilities have increased exponentially catalyzed by increases in computational capabilities. The interactions between a diffusing species and the host solid are being studied with increasing details and realism. Further, in situ experimental techniques have been developed which give an understanding of the interactions between diffusing species and nanoporous solids that was not available even a few years ago. The time was ripe to bring together these areas of common interest and study to understand what is known and what has yet to be determined concerning transport in nanoporous solids. Molecular sieves are playing an increasing role in a broad range of industrial petrochemical and biological processes. These include shape-selective separations and catalysis as well as sensors and drug delivery. Molecular sieves are made from inorganic as well as organic solids, e. g. , polymers. They can be employed in packed beds, as membranes and as barrier materials. Initially, the applications of molecular sieves were dominated by the use of zeolites.