Adsorption-Controlled Gas Transport in Nanoporous Media
Adsorption-Controlled Gas Transport in Nanoporous Media

Author: Zizhong Liu

Publisher:

Published: 2022

Total Pages: 0

ISBN-13:

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Nanoporous media consist of pores with sizes similar to the size of the fluid molecules, making fluid transport within them substantially different from that in the high permeable porous media and the bulk fluid. This poses challenges for modeling and predicting the transport and storage of fluids in nanoporous media, particularly in the presence of adsorption. Accordingly, the main goal of this dissertation is to develop rigorous yet straightforward approaches for analyzing and understanding the complex transport and sorption behaviors of high-pressure gas in nanoporous media through theoretical analysis and mathematical modeling. The hydraulic (pressure) diffusivity equation is commonly utilized to describe the fluid transport through porous media. However, the diffusivity equation appears as a second-order, nonlinear, partial differential equation due to the pressure-sensitive properties of the fluid and porous media. A unified approach is proposed in Chapter 2 that can be implemented to assess the nonlinearity associated with the transient linear flow of single-phase fluid flow from a pressure-sensitive formation (e.g., oil and gas reservoirs) subject to the constant pressure boundary conditions. The proposed approach provides a reliable avenue to assess the accuracy of the pseudo-time, which is commonly used to linearize the hydraulic diffusivity equation. The approach can also be utilized to identify the cases where pseudo-time may cause significant errors. Instead of using the pseudo-time approach, in Chapter 3, a piecewise constant coefficient approach is presented to linearize the hydraulic diffusivity equation. Using the piecewise approach, a semi-analytical model is developed for transient linear flow subject to constant pressure boundary conditions by considering pressure-dependent rock and fluid properties. The piecewise approach divides the domain under consideration into an arbitrary number of subdomains and assigns them with a constant hydraulic diffusivity coefficient. The results prove that the model can accurately estimate reservoir properties even for highly nonlinear equations. Due to the ultralow permeability (i.e.,

Nanoporous Materials: Science And Engineering
Nanoporous Materials: Science And Engineering

Author: G Q Max Lu

Publisher: World Scientific

Published: 2004-11-22

Total Pages: 911

ISBN-13: 178326179X

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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

Adsorption and Diffusion in Nanoporous Materials
Adsorption and Diffusion in Nanoporous Materials

Author: Rolando M.A. Roque-Malherbe

Publisher: CRC Press

Published: 2018-02-12

Total Pages: 298

ISBN-13: 1351395769

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Offering a materials science point of view, the author covers the theory and practice of adsorption and diffusion applied to gases in microporous crystalline, mesoporous ordered, and micro/mesoporous amorphous materials. Examples used include microporous and mesoporous molecular sieves, amorphous silica, and alumina and active carbons, akaganeites, prussian blue analogues, metal organic frameworks and covalent organic frameworks. The use of single component adsorption, diffusion in the characterization of the adsorbent surface, pore volume, pore size distribution, and the study of the parameters characterizing single component transport processes in porous materials are detailed.

Nanoporous Materials for Gas Storage
Nanoporous Materials for Gas Storage

Author: Katsumi Kaneko

Publisher: Springer

Published: 2019-04-27

Total Pages: 403

ISBN-13: 9811335044

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This book shows the promising future and essential issues on the storage of the supercritical gases, including hydrogen, methane and carbon dioxide, by adsorption with controlling the gas-solid interaction by use of designed nanoporous materials. It explains the reason why the storage of these gases with adsorption is difficult from the fundamentals in terms of gas-solid interaction. It consists of 14 chapters which describe fundamentals, application, key nanoporous materials (nanoporous carbon, metal organic frame works, zeolites) and their storage performance for hydrogen, methane, and carbon dioxide. Thus, this book appeals to a wide readership of the academic and industrial researchers and it can also be used in the classroom for graduate students focusing on clean energy technology, green chemistry, energy conversion and storage, chemical engineering, nanomaterials science and technology, surface and interface science, adsorption science and technology, carbon science and technology, metal organic framework science, zeolite science, nanoporous materials science, nanotechnology, environmental protection, and gas sensors.

Fluid Transport in Nanoporous Materials
Fluid Transport in Nanoporous Materials

Author: Wm. Curtis Conner

Publisher: Springer Science & Business Media

Published: 2006-03-10

Total Pages: 704

ISBN-13: 9781402043802

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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.

Adsorption and Diffusion of Gases in Nano-porous Materials
Adsorption and Diffusion of Gases in Nano-porous Materials

Author: Nethika Sahani Suraweera

Publisher:

Published: 2013

Total Pages: 226

ISBN-13:

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In this work, a systematic computational study directed toward developing a molecular-level understanding of gas adsorption and diffusion characteristics in nano-porous materials is presented. Two different types of porous adsorbents were studied, one crystalline and the other amorphous. Physisorption and diffusion of hydrogen in ten iso-reticular metal-organic frameworks (IRMOFs) were investigated. A set of nine adsorbents taken from a class of novel, amorphous nano-porous materials composed of spherosilicate building blocks and isolated metal sites was also studied, with attention paid to the adsorptive and diffusive behavior of hydrogen, methane, carbon dioxide and their binary mixtures. Both classes of materials were modeled to correspond to experimentally synthesized materials. While much research has targeted adsorption in IRMOFs, very little has appeared for these amorphous silicates, which contain cubic silicate building blocks: Si8O20 [spherosilicate units], cross-linked by SiCl2O2 [silicon chloride] bridges and decorated with either -OTiCl3 [titanium chloride] or -OSiMe3 [trimethylsilyl] groups. Based only on physisorption, the amorphous silicates show competitive adsorptive capacities and selectivities with other commercial gas adsorbents. The tools employed in this dissertation were computational in nature. Adsorptive properties, such as adsorption isotherms, binding energies and selectivities, were generated from Grand Canonical Monte Carlo molecular (GCMC) simulations. Self-diffusivities and activation energies for diffusion were generated using Molecular Dynamics simulations. Adsorption isotherms are reported at temperatures of 77 K [Kelvin] and 300 K for pressures ranging up to 100 bar. The most favorable adsorption sites for all gases studied in the amorphous silicates are located in front of the faces of the spherosilicate cubes. Regardless of material, the hydrogen adsorption process is governed by entropic considerations at 300 K. At 77 K energetic considerations control hydrogen adsorption at low pressures and entropic effects dominate at high pressure. For methane and carbon dioxide at 300 K, the adsorption process is governed by energetic considerations at low pressure and by entropic (packing) constraints at high pressure. The amorphous silicates showed very high selectivity for carbon dioxide over hydrogen. The presence of titanium sitesdid not enhance physisorptive capacity or selectivity.

Gas Adsorption in Metal-Organic Frameworks
Gas Adsorption in Metal-Organic Frameworks

Author: T. Grant Glover

Publisher: CRC Press

Published: 2018-09-03

Total Pages: 559

ISBN-13: 0429891768

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This text discusses the synthesis, characterization, and application of metal-organic frameworks (MOFs) for the purpose of adsorbing gases. It provides details on the fundamentals of thermodynamics, mass transfer, and diffusion that are commonly required when evaluating MOF materials for gas separation and storage applications and includes a discussion of molecular simulation tools needed to examine gas adsorption in MOFs. Additionally, the work presents techniques that can be used to characterize MOFs after gas adsorption has occurred and provides guidance on the water stability of these materials. Lastly, applications of MOFs are considered with a discussion of how to measure the gas storage capacity of MOFs, a discussion of how to screen MOFs to for filtration applications, and a discussion of the use of MOFs to perform industrial separations, such as olefin/paraffin separations. Throughout the work, fundamental information, such as a discussion on the calculation of MOF surface area and description of adsorption phenomena in packed-beds, is balanced with a discussion of the results from research literature.

Adsorption and Diffusion
Adsorption and Diffusion

Author: Hellmut G. Karge

Publisher: Springer Science & Business Media

Published: 2008-06-17

Total Pages: 411

ISBN-13: 3540739661

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"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.

Adsorption and Diffusion in Nanoporous Materials
Adsorption and Diffusion in Nanoporous Materials

Author: Rolando M.A. Roque-Malherbe

Publisher: CRC Press

Published: 2007-03-05

Total Pages: 290

ISBN-13: 1420046764

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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.

Using External Factors to Improve Gas Adsorption in Nanoporous Materials
Using External Factors to Improve Gas Adsorption in Nanoporous Materials

Author: Nicolas Chanut

Publisher:

Published: 2016

Total Pages: 0

ISBN-13:

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The increase in atmospheric CO2 level is a notorious matter of public concern. To mitigate its impact on the environment, it is urgent to reduce emissions of anthropogenic CO2. A method considered by many as a viable option is CO2 capture by adsorption using an emerging class of materials, the Metal-Organic Frameworks (MOFs). To date, evaluation of MOFs has been mainly focused on the separation performance of the material looking at the capacity, selectivity and regeneration capability. However external factors can influence the overall performances of processes turning to industrial applications. The purpose of this thesis was to evaluate three of them: the presence of water vapor in post-combustion flue gases, the effect of shaping powders into pellets form and the effect of an external mechanical pressure on gas adsorption performance. Unexpectedly, it is shown that these external factors could be used to improve process performances under specific conditions.