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.

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.

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 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.

Metal-Organic Framework Materials
Metal-Organic Framework Materials

Author: Leonard R. MacGillivray

Publisher: John Wiley & Sons

Published: 2014-09-19

Total Pages: 1210

ISBN-13: 1118931580

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Metal-Organic Frameworks (MOFs) are crystalline compounds consisting of rigid organic molecules held together and organized by metal ions or clusters. Special interests in these materials arise from the fact that many are highly porous and can be used for storage of small molecules, for example H2 or CO2. Consequently, the materials are ideal candidates for a wide range of applications including gas storage, separation technologies and catalysis. Potential applications include the storage of hydrogen for fuel-cell cars, and the removal and storage of carbon dioxide in sustainable technical processes. MOFs offer the inorganic chemist and materials scientist a wide range of new synthetic possibilities and open the doors to new and exciting basic research. Metal-Organic Frameworks Materials provides a solid basis for the understanding of MOFs and insights into new inorganic materials structures and properties. The volume also reflects progress that has been made in recent years, presenting a wide range of new applications including state-of-the art developments in the promising technology for alternative fuels. The comprehensive volume investigates structures, symmetry, supramolecular chemistry, surface engineering, recognition, properties, and reactions. The content from this book will be added online to the Encyclopedia of Inorganic and Bioinorganic Chemistry: http://www.wileyonlinelibrary.com/ref/eibc

Advances in Nanoporous Materials
Advances in Nanoporous Materials

Author:

Publisher: Elsevier

Published: 2009-10-16

Total Pages: 336

ISBN-13: 008093241X

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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

Development of Metal-organic Framework-based Nanoporous Materials for Adsorption Applications
Development of Metal-organic Framework-based Nanoporous Materials for Adsorption Applications

Author: Yuanyuan Liu

Publisher:

Published: 2018

Total Pages: 169

ISBN-13:

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The development of metal-organic frameworks (MOFs) have received an increasing attention due to their potential applications for environmental remediation. Because of their ultrahigh micropore volume and large specific surface area, MOFs are specifically applicable for gas adsorption and separation. However, these applications are often limited due to their high cost, restricted mass transfer, and inadequate selectivity. The main objective of this dissertation is the synthesis and characterization of novel nanoporous materials based on ZIF-67 and Cu-BTC MOF frameworks. The first main chapter of this dissertation focuses on the synthesis of small crystals of ZIF-67 using cetyltrimethylammonium bromide (CTAB) surfactant as a capping agent to obtain composites of ZIF-67 and microporous carbon applicable for gas adsorption, including CO2 adsorption. The next chapter focuses on the synthesis of composites consisting of ZIF-67 and gamma alumina (GA) with and without its modification with imidazole-containing silanes. A significant improvement is observed in dye adsorption (Rhodamine B) on the composites as compared to ZIF-67 and GA alone. The composites consisting of GA modified with imidazole show higher adsorption capacity for Rhodamine B. The other two chapters deal with the synthesis and characterization of novel composites of Cu-BTC and nanoporous carbons as well as with improvement of CO2 adsorption properties of Cu-BTC. The aforementioned composites exhibit a synergistic effect of the structure parameters derived from the both parent materials. As compared to the parent materials, the composites of Cu-BTC and porous carbons, show higher specific surface area and microporosity due to the newly created micropores at the interface, which enhance their CO2 adsorption capacity at ambient conditions. This work shows that a further improvement of the CO2 adsorption properties of Cu-BTC is possible by adjusting the molar ratio of Cu to BTC during synthesis. Namely, the ratio of 1.09:1.0 Cu to BTC produces MOF with improved textural properties and a remarkably high CO2 adsorption of 9.33 mmol/g at 0 oC and 1 bar.

Characterization of Nanoporous Materials Using Gas Adsorption Isotherms
Characterization of Nanoporous Materials Using Gas Adsorption Isotherms

Author: Vaiva Krungleviciute

Publisher:

Published: 2009

Total Pages: 146

ISBN-13:

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In order to find/design porous materials that could be used in practical applications involving adsorption, it is important to investigate the basic properties (i.e. isosteric heat, specific surface area, binding energy, pore size, pore volume, etc.) of each material. With this aim in mind we have looked at three different types of materials: single-walled carbon nanotubes (prepared by the HiPco and laser methods), single-walled nanohorns (dahlia-like and bud-like) and metal-organic frameworks (Cu-BTC and RPM-1). For these substrates we have measured volumetric adsorption isotherms using several gases such as neon, argon, tetrafluoromethane (CF 4 ), xenon, and methane (not all gases for all substrates). Experimental adsorption isotherms were measured using methane, argon, xenon, and neon gases on unpurified single-walled carbon nanotubes prepared by the HiPco method. The main idea behind these experiments was to investigate, using different size gas molecules, the sites available for adsorption on this type of porous material.

Computationally-Driven Investigations Towards Better Gas Adsorption Materials
Computationally-Driven Investigations Towards Better Gas Adsorption Materials

Author: Rocio Mercado

Publisher:

Published: 2018

Total Pages: 235

ISBN-13:

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In this thesis, I investigate nanoporous materials such as metal-organic frameworks (MOFs) and covalent organic frameworks (COFs) for various gas adsorption applications using a wide array of computational methods. These types of materials are ideal for gas adsorption and separation applications due to their large internal surface areas and tunable chemistry. They are also ideally suited to study using traditional computational methods due to their well-defined structures. In the first chapter, I introduce nanoporous materials and the various molecular mechanics methods which can be used to study them. I also introduce the topic of in silico materials design. Then, in the next chapter, I discuss the development of a DFT-derived force field to accurately study the gas adsorption behavior in materials which contain coordinatively unsaturated metal sites. In such materials, the most commonly used methods fail to accurately model adsorption behavior, and the introduction of the DFT-derived force field has allowed the study of flue-gas mixtures in these frameworks. Following this work, in the third chapter we discuss the use of the DFT-derived force field to study the dynamical behavior of greenhouse gases in the same MOF series. Much of this work was done in collaboration with experimentalists who used NMR as their primary tool to probe the dynamics of these gases in the materials. Our molecular dynamics simulations complemented their NMR experiments. In the fourth chapter, I switch gears and discuss the use of computational methods for the design of new materials, first to characterize experimentally synthesized materials, and then to construct a database of thousands of new COF structures. Finally, I conclude by sharing a summary of my findings from the various investigations discussed in this thesis and my future outlook for the field.