Amine Functionalised Metal-organic Frameworks for Carbon Dioxide Capture

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ISBN 13 :
Total Pages : 698 pages
Book Rating : 4.:/5 (11 download)

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Book Synopsis Amine Functionalised Metal-organic Frameworks for Carbon Dioxide Capture by : Christin Patzschke

Download or read book Amine Functionalised Metal-organic Frameworks for Carbon Dioxide Capture written by Christin Patzschke and published by . This book was released on 2014 with total page 698 pages. Available in PDF, EPUB and Kindle. Book excerpt: Adsorption-based methods, such as pressure swing adsorption (PSA) or vacuum swing adsorption (VSA), are promising for capturing CO2 from natural gas or flue gas. CO2 adsorbents take a variety of forms, but one approach is the use of metal-organic frameworks (MOFs). These have attracted tremendous attention over the past decade due their porosity, high surface area, high pore volume, tuneable pore sizes and topologies. Previous studies on adsorbents of this type, such as CPO-27(Mg), HKUST-1, MOF-177 or MIL-101, have reported good CO2 adsorption capacities. Moreover, through introducing specific polar groups onto the organic linker or by grafting components onto coordinatively unsaturated sites (CUS) of specific MOFs, increases in the CO2 affinity have been observed, particularly at low pressure. This project investigated the potential of MOFs for post-combustion carbon capture and high pressure separation processes. Two classes of MOFs were chosen:1)MOFs containing CUS, which allow further postsynthetic modification (PSM) by grafting/impregnating these materials with amines.2)Flexible MOFs, due to their good selectivities and high CO2 capacities.Enhanced CO2 capacities were sought by two approaches or a combination of both: (i) prefunctionalisation of MIL-53 and MIL-101 (where substituent groups are incorporated into the linker unit before MOF construction) and (ii) postsynthetic modification (PSM) of MIL-100 and MIL-101 (where substituents like ethylenediamine (ED), diethylenetriamine (DETA), 2nd generation polypropylenimine actamine dendrimer (DAB-AM-8) and polyethyleneimine (PEI) are added after MOF construction).

Synthesis and Characterization of Alkylamine-Functionalized Metal-Organic Frameworks as Adsorbents for Carbon Dioxide

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ISBN 13 :
Total Pages : 101 pages
Book Rating : 4.:/5 (957 download)

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Book Synopsis Synthesis and Characterization of Alkylamine-Functionalized Metal-Organic Frameworks as Adsorbents for Carbon Dioxide by : Thomas Michael McDonald

Download or read book Synthesis and Characterization of Alkylamine-Functionalized Metal-Organic Frameworks as Adsorbents for Carbon Dioxide written by Thomas Michael McDonald and published by . This book was released on 2015 with total page 101 pages. Available in PDF, EPUB and Kindle. Book excerpt: The work herein describes an investigation of metal-organic frameworks as adsorbents for selectively removing carbon dioxide (CO2) from low-pressure gas mixtures. Metal-organic frameworks are permanently porous, crystalline solid phase materials composed of organic molecules connected together by metal-based nodes into ordered structures. Generally exhibiting very high gravimetric surface areas, the pore surfaces of metal-organic frameworks can be rationally designed to allow for highly specific interactions between the adsorbent and guest species. Through chemical modifications of the pore surfaces, metal-organic frameworks were designed to adsorb CO2 over other small molecules. Chapter 1 begins with background information on carbon capture and sequestration (CCS) and the role it can potentially play in slowing anthropogenic CO2 emissions. An analysis of desirable metal-organic frameworks properties is presented along with a summary of the most significant work in the field of developing new metal-organic frameworks as CO2 adsorbents. Finally, a summary of amine-functionalized solid adsorbents that have directly influenced the synthesis and characterization methods reported in this investigation is presented. Chapter 2 reports the synthesis and characterization of the metal-organic framework mmen-CuBTTri. At the time it was first synthesized, mmen-CuBTTri exhibited some of the best CO2 adsorption properties of any metal-organic framework, including the highest selectivity for CO2 over N2 yet measured. The sorbent was the first to demonstrate that aliphatic amines could significantly improve the CO2 adsorption properties of metal-organic frameworks with open metal sites. Furthermore, despite an enthalpy of CO2 adsorption of nearly -100 kJ/mol at zero coverage, it was shown that the sorbent could be effectively cycled with modest temperature swings. Chapter 3 reports the original synthesis and characterization of mmen-Mg2(dobpdc). Utilizing the same diamine as the sorbent in Chapter 2, it was demonstrated that the nature of metal-organic framework support, and not just the amine functional groups, affects the CO2 adsorption properties. In this case, the high density of amines within the pores resulted in a material that could effectively remove CO2 at very low concentrations; it was the first metal-organic framework studied for its ability to remove CO2 directly from air. Furthermore, mmen-Mg2(dobpdc) was the first amine-functionalized solid sorbent to exhibit steps in its pure component CO2 isotherm. Finally, it was shown that the adsorption properties of the material, especially the regeneration energy, make it competitive with aqueous amine solutions. Chapter 4 builds upon the work of Chapter 3. The adsorption mechanism of mmen-Mg2(dobpdc), which was studied by infrared spectroscopy, solid state NMR spectroscopy, and in situ powder X-ray diffraction measurements was revealed to be a previously unprecedented cooperative insertion mechanism. The origin of the unusual isotherm steps was revealed to be a phase transition of the amines attached to the pore surface. In Chapter 4, a method of controlling the position of isotherm steps is described. Finally, the superior carbon capture characteristics of phase change adsorbents are enumerated. Chapter 5 is a departure from the previous chapters and describes a simple and convenient method of utilizing a commercially available thermogravimetric analyzer to assess the porosity and activation conditions of metal-organic frameworks. The importance of identifying proper activation is discussed and a suggested protocol for researchers to use is given. Lastly, the ability of the method to improve the reported gas adsorption properties of the metal-organic framework Mn-BTT is reported.

Carbon-Capture by Metal-Organic Framework Materials

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Publisher : Materials Research Forum LLC
ISBN 13 : 1644900858
Total Pages : 140 pages
Book Rating : 4.6/5 (449 download)

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Book Synopsis Carbon-Capture by Metal-Organic Framework Materials by : David J. Fisher

Download or read book Carbon-Capture by Metal-Organic Framework Materials written by David J. Fisher and published by Materials Research Forum LLC. This book was released on 2020-07-05 with total page 140 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal-Organic Framework Materials (MOFs) are well suited for absorbing carbon dioxide. MOFs can form highly-porous structures with great adsorption capacities. They also offer good catalytic properties and much research refers to the relationship between catalytic performance and framework structure. In addition to simple CO2 absorption, there are other interesting applications, such as the direct electrochemical reduction into useful chemicals and fuels, the conversion of CO2 into methanol, the electrochemical reduction of CO2, or electrocatalytic hydrogen evolution (thus boosting the ‘hydrogen economy’). The book references 295 original resources and includes their direct web link for in-depth reading. Keywords: Global Warming, Carbon Dioxide Capture, Metal-Organic Frameworks MOFs, Adsorbents for CO2, Porous Solids, Catalytic Performance, Synthesis of MOFs, Conversion of CO2 into Methanol, Electrocatalytic Hydrogen Evolution, Hydrogen Economy, Gas Adsorption, Gas Separation, Organic Ligands, Metal Ion Clusters.

Adsorption by Powders and Porous Solids

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Publisher : Academic Press
ISBN 13 : 0080970362
Total Pages : 647 pages
Book Rating : 4.0/5 (89 download)

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Book Synopsis Adsorption by Powders and Porous Solids by : Jean Rouquerol

Download or read book Adsorption by Powders and Porous Solids written by Jean Rouquerol and published by Academic Press. This book was released on 2013-09-06 with total page 647 pages. Available in PDF, EPUB and Kindle. Book excerpt: The declared objective of this book is to provide an introductory review of the various theoretical and practical aspects of adsorption by powders and porous solids with particular reference to materials of technological importance. The primary aim is to meet the needs of students and non-specialists who are new to surface science or who wish to use the advanced techniques now available for the determination of surface area, pore size and surface characterization. In addition, a critical account is given of recent work on the adsorptive properties of activated carbons, oxides, clays and zeolites. Provides a comprehensive treatment of adsorption at both the gas/solid interface and the liquid/solid interface Includes chapters dealing with experimental methodology and the interpretation of adsorption data obtained with porous oxides, carbons and zeolites Techniques capture the importance of heterogeneous catalysis, chemical engineering and the production of pigments, cements, agrochemicals, and pharmaceuticals

Structural Modification of Metal Organic Frameworks for Applications in Carbon Dioxide Capture

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ISBN 13 :
Total Pages : 194 pages
Book Rating : 4.:/5 (957 download)

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Book Synopsis Structural Modification of Metal Organic Frameworks for Applications in Carbon Dioxide Capture by : Dinara Andirova

Download or read book Structural Modification of Metal Organic Frameworks for Applications in Carbon Dioxide Capture written by Dinara Andirova and published by . This book was released on 2016 with total page 194 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal organic frameworks (MOFs) belong to a class of crystalline materials where metal constituting building blocks are connected by organic ligands to form well-defined nanoporous structures. These materials exhibit uniform pores, extremely high surface area, and potential for chemical tunability rendering MOFs available for many applications such as gas storage and separations, drug delivery, and catalysis. In the first part of this work structural optimization of MOFs for practical CO2 capture processes have been studied. It has been reported that the adsorption properties of MOFs in practical CO2 capture tend to be harmed by the presence of moisture possibly due to the hydrophilic nature of the coordinatively unsaturated sites (CUSs) present within the frameworks. Here, the CUSs were functionalized with amine-containing molecules to prevent its structural degradation in a humid CO2 capture environment. Specifically, it was demonstrated that amine groups could be grafted on the metal sites of the magnesium dioxybenzenedicarboxylate (Mg/DOBDC) without changing the framework structure of the material. The amine modified framework showed better structural preservation and retained CO2 capture capacity after exposure to strident humid conditions. In the second part of this work, synthesis of layered metal organic frameworks was investigated. Layered materials are solids with strong in-plane chemical bonds and weak out-of-plane bonds,which are stacked to form 3D materials. Currently this field is expanding from layered clays, graphene, silicates to studies of layered MOF s. Here, a layered MOF where each layer is composed of cobalt-carboxylate building units connected via organic ligands of benzene 1,4-dicarboxylic acid was synthesized. The interlayer space provides the ability for introduction of additional ligands and simple post-synthesis interlayer ligand exchange with larger or smaller molecules. Such ligand introduction was performed using simple amine groups. It was found that crystalline materials could be generated with well-defined layers and addition of amine ligands might be exhibiting a templating role in the crystallization. This type of modification could open up chemistry of MOFs providing structures where both micropores and mesopores could exist and introduce a post-synthesis method of exchanging interlayer ligands therefore manipulating the gallery space between the layers. These layered MOF structures have a promising potential in CO2 selective separation from mixed gas streams. In the third part of the work, metal oxide nanoparticles were obtained utilizing structures of MOFs as precursor materials. It was found that crystalline cobalt oxide nanoparticles could be generated where particle size could be controlled with different calcination temperatures. The obtained nanoparticles also retained the original morphology of starting MOF crystals.

Metal-Organic Framework Materials

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Publisher : John Wiley & Sons
ISBN 13 : 1118931580
Total Pages : 1210 pages
Book Rating : 4.1/5 (189 download)

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Book Synopsis Metal-Organic Framework Materials by : Leonard R. MacGillivray

Download or read book Metal-Organic Framework Materials written by Leonard R. MacGillivray and published by John Wiley & Sons. This book was released on 2014-09-19 with total page 1210 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Polymer-Based Advanced Functional Materials for Energy and Environmental Applications

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Publisher : Springer Nature
ISBN 13 : 9811687552
Total Pages : 276 pages
Book Rating : 4.8/5 (116 download)

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Book Synopsis Polymer-Based Advanced Functional Materials for Energy and Environmental Applications by : Nithin Kundachira Subramani

Download or read book Polymer-Based Advanced Functional Materials for Energy and Environmental Applications written by Nithin Kundachira Subramani and published by Springer Nature. This book was released on 2022-01-01 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: Polymer-based advanced functional materials are one of most sought after products of this global high performance material demand as polymer-based materials guarantee both processing ease and mechanical flexibilities. This volume provides a comprehensive and updated review of major innovations in the field of polymer-based advanced functional materials which focuses on constructive knowledge on advanced multifunctional materials and their resultant techno-commercial applications. The contents aim at restricting the coverage to energy and environment related applications as the said two are the most emerging application domains of polymer-based advanced functional materials. It highlights the cutting-edge and recent research findings of polymer based advanced functional materials in energy and environment sectors wherein each chapter focuses on a specific energy and environment related application of polymer-based advanced functional materials, their preparation technique, nature enhancement achieved and allied factors. This volume would be of great interest to researchers, academicians and professionals, involved in polymers, chemistry, energy and environmental research, and other allied domains.

Materials and Processes for CO2 Capture, Conversion, and Sequestration

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Publisher : John Wiley & Sons
ISBN 13 : 1119231035
Total Pages : 376 pages
Book Rating : 4.1/5 (192 download)

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Book Synopsis Materials and Processes for CO2 Capture, Conversion, and Sequestration by : Lan Li

Download or read book Materials and Processes for CO2 Capture, Conversion, and Sequestration written by Lan Li and published by John Wiley & Sons. This book was released on 2018-08-14 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: Addresses materials, technology, and products that could help solve the global environmental crisis once commercialized This multidisciplinary book encompasses state-of-the-art research on the topics of Carbon Capture and Storage (CCS), and complements existing CCS technique publications with the newest research and reviews. It discusses key challenges involved in the CCS materials design, processing, and modeling and provides in-depth coverage of solvent-based carbon capture, sorbent-based carbon capture, membrane-based carbon capture, novel carbon capture methods, computational modeling, carbon capture materials including metal organic frameworks (MOF), electrochemical capture and conversion, membranes and solvents, and geological sequestration. Materials and Processes for CO2 Capture, Conversion and Sequestration offers chapters on: Carbon Capture in Metal-Organic Frameworks; Metal Organic Frameworks Materials for Post-Combustion CO2 Capture; New Progress of Microporous Metal-Organic Frameworks in CO2 Capture and Separation; In Situ Diffraction Studies of Selected Metal-Organic Framework (MOF) Materials for Guest Capture Applications; Electrochemical CO2 Capture and Conversion; Electrochemical Valorization of Carbon Dioxide in Molten Salts; Microstructural and Structural Characterization of Materials for CO2 Storage using Multi-Scale X-Ray Scattering Methods; Contribution of Density Functional Theory to Microporous Materials for Carbon Capture; and Computational Modeling Study of MnO2 Octahedral Molecular Sieves for Carbon Dioxide Capture Applications. Addresses one of the most pressing concerns of society—that of environmental damage caused by the greenhouse gases emitted as we use fossil fuels Covers cutting-edge capture technology with a focus on materials and technology rather than regulation and cost Highlights the common and novel CCS materials that are of greatest interest to industrial researchers Provides insight into CCS materials design, processing characterization, and computer modeling Materials and Processes for CO2 Capture, Conversion and Sequestration is ideal for materials scientists and engineers, energy scientists and engineers, inorganic chemists, environmental scientists, pollution control scientists, and carbon chemists.

Metal-Organic Frameworks

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Publisher : John Wiley & Sons
ISBN 13 : 111803516X
Total Pages : 440 pages
Book Rating : 4.1/5 (18 download)

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Book Synopsis Metal-Organic Frameworks by : Leonard R. MacGillivray

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.

Metal-Organic Frameworks (MOFs) for Environmental Applications

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Publisher : Elsevier
ISBN 13 : 0128146346
Total Pages : 464 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Metal-Organic Frameworks (MOFs) for Environmental Applications by : Sujit K. Ghosh

Download or read book Metal-Organic Frameworks (MOFs) for Environmental Applications written by Sujit K. Ghosh and published by Elsevier. This book was released on 2019-06-07 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal-Organic Frameworks for Environmental Applications examines this important topic, looking at potential materials and methods for the remediation of pressing pollution issues, such as heavy-metal contaminants in water streams, radioactive waste disposal, marine oil-spillage, the treatment of textile and dye industry effluents, the clean-up of trace amounts of explosives in land and water, and many other topics. This survey of the cutting-edge research and technology of MOFs is an invaluable resource for researchers working in inorganic chemistry and materials science, but it is also ideal for graduate students studying MOFs and their applications. Examines the applications of metal-organic frameworks for the remediation of environmental pollutants Features leading experts who research the applications of MOFs from around the world, including contributions from the United States, India and China Explores possible solutions to some of today’s most pressing environmental challenges, such as heavy-metal contamination in bodies of water, oil spills and clean-up of explosives hidden in land and water Provides an excellent reference for researchers and graduate students studying in the areas of inorganic chemistry, materials chemistry and environmental science

Porous Materials for Carbon Dioxide Capture

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Publisher : Springer Science & Business
ISBN 13 : 3642546463
Total Pages : 253 pages
Book Rating : 4.6/5 (425 download)

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Book Synopsis Porous Materials for Carbon Dioxide Capture by : An-Hui Lu

Download or read book Porous Materials for Carbon Dioxide Capture written by An-Hui Lu and published by Springer Science & Business. This book was released on 2014-04-17 with total page 253 pages. Available in PDF, EPUB and Kindle. Book excerpt: This multi-authored book provides a comprehensive overview of the latest developments in porous CO2 capture materials, including ionic liquid–derived carbonaceous adsorbents, porous carbons, metal-organic frameworks, porous aromatic frameworks, micro porous organic polymers. It also reviews the sorption techniques such as cyclic uptake and desorption reactions and membrane separations. In each category, the design and fabrication, the comprehensive characterization, the evaluation of CO2 sorption/separation and the sorption/degradation mechanism are highlighted. In addition, the advantages and remaining challenges as well as future perspectives for each porous material are covered. This book is aimed at scientists and graduate students in such fields as separation, carbon, polymer, chemistry, material science and technology, who will use and appreciate this information source in their research. Other specialists may consult specific chapters to find the latest, authoritative reviews. Dr. An-Hui Lu is a Professor at the State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Faculty of Chemical, Environmental and Biological Science and Technology, Dalian University of Technology, China. Dr. Sheng Dai is a Corporate Fellow and Group Leader in the Chemical Sciences Division at Oak Ridge National Laboratory (ORNL) and a Professor of Chemistry at the University of Tennessee, USA.

Sustainable Agriculture Reviews 38

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Publisher : Springer Nature
ISBN 13 : 3030293378
Total Pages : 282 pages
Book Rating : 4.0/5 (32 download)

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Book Synopsis Sustainable Agriculture Reviews 38 by : Inamuddin

Download or read book Sustainable Agriculture Reviews 38 written by Inamuddin and published by Springer Nature. This book was released on 2020-01-01 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents materials and physical methods for carbon dioxide sequestration. Materials include nanosponges, titanium oxide/zeolite hybrids, classical absorbents, metal oxides, ionic liquids, alkaline soils and metal organic frameworks. Methods include cryogenic capture, adsorption, solvent dissolution and soil sequestration.

Membranes For Gas Separations

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Publisher : World Scientific
ISBN 13 : 9813207728
Total Pages : 376 pages
Book Rating : 4.8/5 (132 download)

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Book Synopsis Membranes For Gas Separations by : Moises A Carreon

Download or read book Membranes For Gas Separations written by Moises A Carreon and published by World Scientific. This book was released on 2017-08-11 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book aims at illustrating several examples of different membrane compositions ranging from inorganic, polymeric, metallic, metal organic framework, and composite which have been successfully deployed to separate industrially relevant gas mixtures including hydrogen, nitrogen, methane, carbon dioxide, olefins/parafins among others. Each book chapter highlights some of the current and key fundamental and technological challenges for these membranes that must be overcome in order to envision its application at industrial level.

Introduction to Reticular Chemistry

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Publisher : John Wiley & Sons
ISBN 13 : 3527821104
Total Pages : 684 pages
Book Rating : 4.5/5 (278 download)

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Book Synopsis Introduction to Reticular Chemistry by : Omar M. Yaghi

Download or read book Introduction to Reticular Chemistry written by Omar M. Yaghi and published by John Wiley & Sons. This book was released on 2019-03-22 with total page 684 pages. Available in PDF, EPUB and Kindle. Book excerpt: A concise introduction to the chemistry and design principles behind important metal-organic frameworks and related porous materials Reticular chemistry has been applied to synthesize new classes of porous materials that are successfully used for myraid applications in areas such as gas separation, catalysis, energy, and electronics. Introduction to Reticular Chemistry gives an unique overview of the principles of the chemistry behind metal-organic frameworks (MOFs), covalent organic frameworks (COFs), and zeolitic imidazolate frameworks (ZIFs). Written by one of the pioneers in the field, this book covers all important aspects of reticular chemistry, including design and synthesis, properties and characterization, as well as current and future applications Designed to be an accessible resource, the book is written in an easy-to-understand style. It includes an extensive bibliography, and offers figures and videos of crystal structures that are available as an electronic supplement. Introduction to Reticular Chemistry: -Describes the underlying principles and design elements for the synthesis of important metal-organic frameworks (MOFs) and related materials -Discusses both real-life and future applications in various fields, such as clean energy and water adsorption -Offers all graphic material on a companion website -Provides first-hand knowledge by Omar Yaghi, one of the pioneers in the field, and his team. Aimed at graduate students in chemistry, structural chemists, inorganic chemists, organic chemists, catalytic chemists, and others, Introduction to Reticular Chemistry is a groundbreaking book that explores the chemistry principles and applications of MOFs, COFs, and ZIFs.

Design and Screening of Hypothetical Charged Metal-organic Frameworks for Carbon Dioxide Capture

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Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (129 download)

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Book Synopsis Design and Screening of Hypothetical Charged Metal-organic Frameworks for Carbon Dioxide Capture by : Jason Wai-Ho Lo

Download or read book Design and Screening of Hypothetical Charged Metal-organic Frameworks for Carbon Dioxide Capture written by Jason Wai-Ho Lo and published by . This book was released on 2016 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Reducing anthropogenic carbon dioxide emissions from coal-fired power plants is an important step in mitigating climate change. To implement carbon dioxide capture technologies, materials capable of removing carbon dioxide efficiently are required. Currently, liquid amine technology is used for carbon dioxide capture. However, the mechanism for carbon dioxide removal in liquid amine requires extraordinary amounts of energy input. Alternatively, solid sorbents such as metal-organic frameworks (MOFs) show promising potentials as a type of material for carbon dioxide capture. Due their varying structural properties, MOFs can be configured for specific purposes. Certain MOFs carry a net charge on their frameworks, which may allow for increased interactions with carbon dioxide molecules. In this work, charged MOFs were studied for their potential in carbon dioxide capture. Due to the massive number of MOFs available, computational methods were employed for the study. This project includes three major components: (1) the development of novel computational methods to simulate the gas adsorption properties in charged materials, (2) a diverse database of 47,244 hypothetical charged MOFs was constructed to represent the capabilities of charged MOFs, and (3) screening of high performing charged MOFs for carbon capture application by combining the previous two portions of the project. The methods developed in this work include fitting intermolecular interaction parameters to quantum mechanical calculations in periodic systems with net charges. No methods have been reported in literature for such parameter fittings, even in well studied materials such as zeolites. Therefore, the gas adsorption estimation method for charged materials developed in this work is proprietary. Also, databases of hypothetical MOFs with framework net charges have never been reported previously in literature. By screening the charged MOFs in the database with the methods developed, gas adsorption capabilities were evaluated. The adsorption properties of a neutral group of hypothetical MOFs were also obtained for a baseline comparison. Between the two groups of MOFs, charged MOFs were found to outperform neutral MOFs in three key aspects. Firstly, charged MOFs were able to adsorb an average of three times as much carbon dioxide than the neutral group. Secondly, charged MOFs were capable of removing twice the amount of carbon dioxide per adsorption/desorption cycle than the neutral MOFs. Lastly, charged MOFs were able to selectively adsorb much more carbon dioxide over other gasses present in the carbon dioxide capture situations. Specific structural features that resulted in the selectiveness of adsorption in charged MOFs were identified. Also, positive correlations were found between the adsorption of carbon dioxide and the charge present in the MOFs. As seen in the results, charges present in MOFs can greatly increase their ability to remove carbon dioxide. Charged MOFs in the hypothetical database not only outperformed neutral MOFs, certain top performers were also found to exceed the requirements for post-combustion carbon capture application. Therefore, charged MOFs were shown to be a possible material for future carbon dioxide capture. The proprietary methods developed in this work can not only be used to simulate gas adsorptions in charged MOFs, but also for other porous materials, regardless of net charges presented in their systems. Also, the database constructed in this work can be utilized in multiple ways. Aside from carbon dioxide capture capabilities, the charged MOFs in the database can be screened for other gas separations and catalysis via high throughput screening. The database and the computational methods developed in this work pave the way for discovering the capabilities of charged materials.

Capture of Carbon Dioxide in Metal Organic Frameworks

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Publisher :
ISBN 13 :
Total Pages : 330 pages
Book Rating : 4.:/5 (827 download)

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Book Synopsis Capture of Carbon Dioxide in Metal Organic Frameworks by : Hussein Rasool Abid

Download or read book Capture of Carbon Dioxide in Metal Organic Frameworks written by Hussein Rasool Abid and published by . This book was released on 2012 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: Amino-Zr-MOF was thermally stable up to 623K. In addition, its surface area was lower than Zr-MOF-(Parent). On the other hand, CO2 adsorption capacity was higher, giving 100 cc g-1 (4.46 mmol) at 273K and 1 atm. Also, it showed 9 mmol g-1 at 273K and 988 kPa.

Advanced CO2 Capture Technologies

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Publisher : Springer
ISBN 13 : 3030188582
Total Pages : 83 pages
Book Rating : 4.0/5 (31 download)

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Book Synopsis Advanced CO2 Capture Technologies by : Shin-ichi Nakao

Download or read book Advanced CO2 Capture Technologies written by Shin-ichi Nakao and published by Springer. This book was released on 2019-05-07 with total page 83 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book summarises the advanced CO2 capture technologies that can be used to reduce greenhouse gas emissions, especially those from large-scale sources, such as power-generation and steel-making plants. Focusing on the fundamental chemistry and chemical processes, as well as advanced technologies, including absorption and adsorption, it also discusses other aspects of the major CO2 capture methods: membrane separation; the basic chemistry and process for CO2 capture; the development of materials and processes; and practical applications, based on the authors’ R&D experience. This book serves as a valuable reference resource for researchers, teachers and students interested in CO2 problems, providing essential information on how to capture CO2 from various types of gases efficiently. It is also of interest to practitioners and academics, as it discusses the performance of the latest technologies applied in large-scale emission sources.