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Author : David Joseph Keffer
Publisher :
ISBN 13 :
Total Pages : 508 pages
Book Rating : 4.:/5 (319 download)
Download or read book Molecular Models of Adsorption and Diffusion in Nanoporous Materials written by David Joseph Keffer and published by . This book was released on 1996 with total page 508 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Rolando M.A. Roque-Malherbe
Publisher : CRC Press
ISBN 13 : 1420046764
Total Pages : 290 pages
Book Rating : 4.4/5 (2 download)
Download or read book Adsorption and Diffusion in Nanoporous Materials written by Rolando M.A. Roque-Malherbe and published by CRC Press. This book was released on 2007-03-05 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: As nanomaterials get smaller, their properties increasingly diverge from their bulk material counterparts. Written from a materials science perspective, Adsorption and Diffusion in Nanoporous Materials describes the methodology for using single-component gas adsorption and diffusion measurements to characterize nanoporous solids. Concise, yet comprehensive, the book covers both equilibrium adsorption and adsorption kinetics in dynamic systems in a single source. It presents the theoretical and mathematical tools for analyzing microporosity, kinetics, thermodynamics, and transport processes of the adsorbent surface. Then it examines how these measurements elucidate structural and morphological characteristics of the materials. Detailed descriptions of the phenomena include diagrams, essential equations, and fully derived, concrete examples based on the author's own research experiences and insight. The book contains chapters on statistical physics, dynamic adsorption in plug flow bed reactors, and the synthesis and modification of important nanoporous materials. The final chapter covers the principles and applications of adsorption for multicomponent systems in the liquid phase. Connecting recent advances in adsorption characterization with developments in the transport and diffusion of nanoporous materials, this book is ideal for scientists involved in the research, development, and applications of new nanoporous materials.
Author : Jörg Kärger
Publisher : John Wiley & Sons
ISBN 13 : 3527651292
Total Pages : 932 pages
Book Rating : 4.5/5 (276 download)
Download or read book Diffusion in Nanoporous Materials written by Jörg Kärger and published by John Wiley & Sons. This book was released on 2012-04-16 with total page 932 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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. 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. Based on the book Diffusion in Zeolites and other Microporous Solids, originally published in 1992, it illustrates the remarkable speed with which this field has developed since that time. 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.
Author : G Q Max Lu
Publisher : World Scientific
ISBN 13 : 178326179X
Total Pages : 911 pages
Book Rating : 4.7/5 (832 download)
Download or read book Nanoporous Materials: Science And Engineering written by G Q Max Lu and published by World Scientific. This book was released on 2004-11-22 with total page 911 pages. Available in PDF, EPUB and Kindle. Book excerpt: Porous materials are of scientific and technological importance because of the presence of voids of controllable dimensions at the atomic, molecular, and nanometer scales, enabling them to discriminate and interact with molecules and clusters. Interestingly the big deal about this class of materials is about the “nothingness” within — the pore space. International Union of Pure and Applied Chemistry (IUPAC) classifies porous materials into three categories — micropores of less than 2 nm in diameter, mesopores between 2 and 50 nm, and macropores of greater than 50 nm. In this book, nanoporous materials are defined as those porous materials with pore diameters less than 100 nm.Over the last decade, there has been an ever increasing interest and research effort in the synthesis, characterization, functionalization, molecular modeling and design of nanoporous materials. The main challenges in research include the fundamental understanding of structure-property relations and tailor-design of nanostructures for specific properties and applications. Research efforts in this field have been driven by the rapid growing emerging applications such as biosensor, drug delivery, gas separation, energy storage and fuel cell technology, nanocatalysis and photonics. These applications offer exciting new opportunities for scientists to develop new strategies and techniques for the synthesis and applications of these materials.This book provides a series of systematic reviews of the recent developments in nanoporous materials. It covers the following topics: (1) synthesis, processing, characterization and property evaluation; (2) functionalization by physical and/or chemical treatments; (3) experimental and computational studies on fundamental properties, such as catalytic effects, transport and adsorption, molecular sieving and biosorption; (4) applications, including photonic devices, catalysis, environmental pollution control, biological molecules separation and isolation, sensors, membranes, hydrogen and energy storage, etc./a
Author : Mithun Ramdas Kamat
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (518 download)
Download or read book Statistical Mechanical Models of Adsorption and Diffusion of Fluids in Crystalline Nanoporous Materials written by Mithun Ramdas Kamat and published by . This book was released on 2002 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Statistical mechanical analytical theories are developed to model adsorption and diffusion of single component and binary fluids in crystalline nanoporous materials. The theory provides insight into the molecular level mechanisms governing the behavior of adsorbed molecules. The theory predicts diffusivities, adsorption isotherms, and heats of adsorption as functions of temperature, pressure, and composition. Molecular dynamics simulations have identified localized adsorption sites within the adsorbent lattice. In this work, a lattice model of adsorption is developed using an extension of the Quasi-Chemical Approximation Theory. The theory demonstrates that competing entropic and energetic effects dictate the placement of molecules within the lattice sites. The lattice theory is completely general and predictive in nature, and requires very few parameters to characterize the system. A lattice model of diffusion is developed. The theory yields a self-diffusion coefficient, which is a function of (i) temperature, (ii) adsorbate density, (iii) adsorbate size, (iv) the adsorbate-adsorbate energetic interaction, and (v) the adsorbate-pore energetic interaction. The theory incorporates no fitting parameters and is generalizable to nanoporous materials with three-dimensional porous networks (e.g. Zeolite Y) and one-dimensional porous networks (e.g. AlPO4-5). The analytical theory is tested with molecular dynamics simulations. Comparisons are presented between the results predicted by the theory and simulations. The agreements and discrepancies between the two approaches are discussed. The theory requires only a minute on a desktop PC to generate the results as against hours of parallel supercomputer time required by the simulations. This thesis presents an analytical molecular level theory that can be integrated into macroscopic process level simulators to (i) investigate new adsorbents, (ii) generate thermodynamic properties and transport properties in the adsorbed phase, and (iii) establish the principles of adsorption and diffusion in the macroscopic level using fundamentals of molecular physics and statistical mechanics.
Author : Hellmut G. Karge
Publisher : Springer Science & Business Media
ISBN 13 : 3540739661
Total Pages : 411 pages
Book Rating : 4.5/5 (47 download)
Download or read book Adsorption and Diffusion written by Hellmut G. Karge and published by Springer Science & Business Media. This book was released on 2008-06-17 with total page 411 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Molecular Sieves - Science and Technology" covers, in a comprehensive manner, the science and technology of zeolites and all related microporous and mesoporous materials. The contributions are grouped together topically in such a way that each volume deals with a specific sub-field. Volume 7 treats fundamentals and analyses of adsorption and diffusion in zeolites including single-file diffusion. Various methods of measuring adsorption and diffusion are described and discussed.
Author : Suresh K. Bhatia
Publisher : MDPI
ISBN 13 : 303897529X
Total Pages : 261 pages
Book Rating : 4.0/5 (389 download)
Download or read book Transport of Fluids in Nanoporous Materials written by Suresh K. Bhatia and published by MDPI. This book was released on 2019-01-25 with total page 261 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a printed edition of the Special Issue "Transport of Fluids in Nanoporous Materials" that was published in Processes
Author : Richard T. Cimino
Publisher :
ISBN 13 :
Total Pages : 199 pages
Book Rating : 4.:/5 (974 download)
Download or read book Molecular Modeling of Adsorption of Simple and Complex Fluids on Nanoporous Materials for Characterization written by Richard T. Cimino and published by . This book was released on 2016 with total page 199 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 268 pages
Book Rating : 4.:/5 (648 download)
Download or read book Molecular Simulations of Adsorption and Diffusion in Metal-organic Frameworks (MOFs) written by and published by . This book was released on 2010 with total page 268 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal-organic frameworks (MOFs) are a new class of nanoporous materials that have received great interest since they were first synthesized in the late 1990s. Practical applications of MOFs are continuously being discovered as a better understanding of the properties of materials adsorbed within the nanopores of MOFs emerges. One such potential application is as a component of an explosive-sensing system. Another potential application is for hydrogen storage. This work is focused on tailoring MOFs to adsorb/desorb the explosive, RDX. Classical grand canonical Monte Carlo (GCMC) and molecular dynamic (MD) simulations have been performed to calculate adsorption isotherms and self-diffusivities of RDX in several IRMOFs. Because gathering experimental data on explosive compounds is dangerous, data is limited. Simulation can in part fill the gap of missing information. Through these simulations, many of the key issues associated with MOFs preconcentrating RDX have been resolved. The issues include both theoretical issues associated with the computational generation of properties and practical issues associated with the use of MOFs in explosive-sensing system. Theoretically, we evaluate the method for generating partial charges for MOFs and the impact of this choice on the adsorption isotherm and diffusivity. Practically, we show that the tailoring of an MOF with a polar group like an amine can lead to an adsorbent that (i) concentrates RDX from the bulk by as much as a factor of 3000, (ii) is highly selective for RDX, and (iii) retains sufficient RDX mobility allowing for rapid, real time sensing. Many of the impediments to the effective explosive detection can be framed as shortcomings in the understanding of molecule surface interactions. A fundamental, molecular-level understanding of the interaction between explosives and functionalized MOFs would provide the necessary guidance that allows the next generation of sensors to be developed. This is one of the main driving forces behind this dissertation. Another important achievement in this work is the demonstration of a new direction for tailoring MOFs. A new class of tailored MOFs containing porphyrins has been proposed. These tailored MOFs show greater capability for hydrogen storage, which also demonstrated the great functionalization of MOFs and great potential to serve as preconcentrators. The use of a novel multiscale modeling technique to develop equations of state for inhomogeneous fluids is included as a supplement to this dissertation.
Author : Jian Liu
Publisher : Elsevier
ISBN 13 : 0128184884
Total Pages : 512 pages
Book Rating : 4.1/5 (281 download)
Download or read book Nanoporous Materials for Molecule Separation and Conversion written by Jian Liu and published by Elsevier. This book was released on 2020-07-04 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoporous Materials for Molecule Separation and Conversion cover the topic with sections on nanoporous material synthesis and characterization, nanoporous materials for molecule separation, and nanoporous materials for energy storage and renewable energy. Typical nanoporous materials including carbon, zeolite, silica and metal-organic frameworks and their applications in molecule separation and energy related applications are covered. In addition, the fundamentals of molecule adsorption and molecule transport in nanoporous materials are also included, providing readers with a stronger understanding of the principles and topics covered. This is an important reference for anyone exploring nanoporous materials, including researchers and postgraduate students in materials science and chemical engineering. In addition, it is ideal for industry professionals working on a wide range of applications for nanoporous materials. Outlines the fundamental principles of nanoporous materials design Explores the application of nanoporous materials in important areas such as molecule separation and energy storage Gives real-life examples of how nanoporous materials are used in a variety of industry sector
Author :
Publisher : World Scientific
ISBN 13 : 9811223246
Total Pages : 1495 pages
Book Rating : 4.8/5 (112 download)
Download or read book Handbook Of Porous Materials: Synthesis, Properties, Modeling And Key Applications (In 4 Volumes) written by and published by World Scientific. This book was released on 2020-10-20 with total page 1495 pages. Available in PDF, EPUB and Kindle. Book excerpt: This four-volume handbook gives a state-of-the-art overview of porous materials, from synthesis and characterization and simulation all the way to manufacturing and industrial applications. The editors, coming from academia and industry, are known for their didactic skills as well as their technical expertise. Coordinating the efforts of 37 expert authors in 14 chapters, they construct the story of porous carbons, ceramics, zeolites and polymers from varied viewpoints: surface and colloidal science, materials science, chemical engineering, and energy engineering. Volumes 1 and 2 cover the fundamentals of preparation, characterisation, and simulation of porous materials. Working from the fundamentals all the way to the practicalities of industrial production processes, the subjects include hierarchical materials, in situ and operando characterisation using NMR, X-Ray scattering and tomography, state-of-the-art molecular simulations of adsorption and diffusion in crystalline nanoporous materials, as well as the emerging areas of bio-artificing and drug delivery. Volume 3 focuses on porous materials in industrial separation applications, including adsorption separation, membrane separation, and osmotic distillation. Finally, and highly relevant to tomorrow's energy challenges, Volume 4 explains the energy engineering aspects of applying porous materials in supercapacitors, fuel cells, batteries, electrolysers and sub-surface energy applications.The text contains many high-quality colourful illustrations and examples, as well as thousands of up-to-date references to peer-reviewed articles, reports and websites for further reading. This comprehensive and well-written handbook is a must-have reference for universities, research groups and companies working with porous materials.Related Link(s)
Author : Jens Metzger
Publisher : Createspace Independent Publishing Platform
ISBN 13 : 9781977918826
Total Pages : 288 pages
Book Rating : 4.9/5 (188 download)
Download or read book Adsorption and Diffusion in Nanoporous Materials written by Jens Metzger and published by Createspace Independent Publishing Platform. This book was released on 2017-07-24 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: As nanomaterials get smaller, their properties increasingly diverge from their bulk material counterparts. Written from a materials science perspective, Adsorption and Diffusion in Nanoporous Materials describes the methodology for using single-component gas adsorption and diffusion measurements to characterize nanoporous solids.
Author : Wm. Curtis Conner
Publisher : Springer Science & Business Media
ISBN 13 : 9781402043789
Total Pages : 708 pages
Book Rating : 4.0/5 (437 download)
Download or read book Fluid Transport in Nanoporous Materials written by Wm. Curtis Conner and published by Springer Science & Business Media. This book was released on 2006-03-10 with total page 708 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : Leonard R. MacGillivray
Publisher : John Wiley & Sons
ISBN 13 : 111803516X
Total Pages : 440 pages
Book Rating : 4.1/5 (18 download)
Download or read book Metal-Organic Frameworks written by Leonard R. MacGillivray and published by John Wiley & Sons. This book was released on 2010-12-17 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal-organic frameworks represent a new class of materials that may solve the hydrogen storage problem associated with hydrogen-fueled vehicles. In this first definitive guide to metal-organic framework chemistry, author L. MacGillivray addresses state-of-art developments in this promising technology for alternative fuels. Providing professors, graduate and undergraduate students, structural chemists, physical chemists, and chemical engineers with a historical perspective, as well as the most up-to-date developments by leading experts, Metal-Organic Frameworks examines structure, symmetry, supramolecular chemistry, surface engineering, metal-organometallic frameworks, properties, and reactions.
Download or read book Statistical Mechanical Models of Adsorption and Diffusion of Fluids in Crystalline Nanoporous Materials written by and published by . This book was released on 2004 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Kamat et al. has developed an analytical statistical mechanical theory that can be used to model pure component and binary liquid mixtures confined within crystalline nanoporous materials [1, 2]. The theory can be used to predict diffusivities, adsorption isotherms, and heats of adsorption as functions of temperature, pressure, and composition. The predictions obtained from this theory can then be used in macroscopic process level simulations to investigate the use of new adsorbents without conducting expensive experiments. Kamat et al. has verified that the analytical adsorption theory can be used to model methane confined within zeolite Na-Y [3]. However, the diffusion theory failed to quantitatively model the self-diffusion coefficients for methane confined within Na-Y. Thus, an attempt has been made to improve the fit of the self-diffusion coefficients by incorporating the effects of percolation into the diffusion model. Incorporating the effects of percolation into the diffusion model did not improve the quantitative fit of the self-diffusion coefficients. The analytical theory is generalizable and can be used for a variety of liquids confined within a variety of nanoporous materials. In this work, the theory is used to model pure component methane and pure component ethane confined within AlPO4-5. The lattice parameters required for the theory are obtained by comparing the theoretical results to results obtained from molecular dynamics simulations. In this work, it has been proven that the theory is generalizable and can be used for different liquids confined within a nanoporous material. The adsorption theory can also be used to model binary mixtures confined within nanoporous materials. The lattice parameters obtained from the pure component parameter optimizations are used to verify the analytical theory with binary mixtures. Results have been presented which indicate the binary theory does not accurately model a binary mixture confined within nanoporous materials. Problems arise both due to approximations within the theory as well as deviations of the real system from the lattice model.
Author : Jörg Kärger
Publisher : Wiley-VCH
ISBN 13 : 9783527310241
Total Pages : 902 pages
Book Rating : 4.3/5 (12 download)
Download or read book Diffusion in Nanoporous Materials, 2 Volumes written by Jörg Kärger and published by Wiley-VCH. This book was released on 2012-10-29 with total page 902 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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. 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. Based on the book Diffusion in Zeolites and other Microporous Solids, originally published in 1992, it illustrates the remarkable speed with which this field has developed since that time. 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.
Author :
Publisher : Elsevier
ISBN 13 : 008093241X
Total Pages : 336 pages
Book Rating : 4.0/5 (89 download)
Download or read book Advances in Nanoporous Materials written by and published by Elsevier. This book was released on 2009-10-16 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Nanoporous Materials is a collection of comprehensive reviews of lasting value to the field. The contributions cover all aspects of nanoporous materials, including their preparation and structure, post-synthetic modification, characterization and use in catalysis, adsorption/separation, and all other fields of potential application, e.g., membranes, host/guest chemistry, environmental protection, electrochemistry, sensors, and optical devices. "Nanoporous materials" comprise all kinds of porous solids that possess pores in the range from about 0.2 nm up to 50 nm, irrespective of their chemical composition, their origin (natural or synthetic), and their amorphous or crystalline nature. Typical examples are zeolites and zeolite-like materials (e.g., crystalline microporous aluminophosphates and their derivatives), mesoporous oxides such as silica, metal organic frameworks, pillared clays, porous carbons, and related materials. State-of-the-art reviews keep coverage current Broad scope provides a full topical overview Contributions from renowned experts lend authority to the material
