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Analysis of Hydrogen Bonds in Crystals

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ISBN: 9783038422457 9783038422464 Year: Pages: XIV, 308 DOI: 10.3390/books978-3-03842-246-4 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Chemistry (General)
Added to DOAB on : 2016-08-29 12:35:45
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There is no doubt that the hydrogen bond is one of the most-often analyzed interactions, and there is also no doubt that experimental studies, especially those based on the determination of crystal structures are very important since they deliver valuable information on the nature of this interaction, on different types of the hydrogen bonds, and also on reactions where a hydrogen bond may be treated as the preliminary step.Since the role of the analysis of crystal structures for investigations concerning hydrogen-bonded systems is valuable, the Editorial Board of Crystals, thus, decided to devote a Special Issue of the journal to the analysis of hydrogen bonds in crystals.

Hydrides: Fundamentals and Applications

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ISBN: 9783038422099 9783038422082 Year: Pages: XVI, 252 DOI: 10.3390/books978-3-03842-209-9 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Added to DOAB on : 2017-02-20 08:56:46
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The reversible elimination of hydrogen from metal hydrides serves as the basis for unique methods of energy transformation. This technology has found widespread practical utilization in applications such as hydrogen compressors, storage, and sensors, as well as batteries. Moreover, it is plausible that metal hydride technology could be utilized to provide practically viable solutions to the challenges of energy storage. For nearly two decades, an extensive, worldwide research effort has been devoted to complex metal hydrides possessing high volumetric and/or gravimetric hydrogen densities with the goal of their practical utilization as onboard hydrogen storage materials. Additionally, a significant and growing number of efforts have been devoted to developing metal hydrides as advanced sensors and ionic conductors, and for electrochemical and stationary energy storage.

Pd-based Membranes. Overview and Perspectives

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ISBN: 9783038977025 Year: Pages: 190 DOI: 10.3390/books978-3-03897-703-2 Language: eng
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Chemical Engineering --- Technology (General)
Added to DOAB on : 2019-04-05 10:34:31
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Palladium (Pd)-based membranes have received a great deal of attention from both academia and industry thanks to their ability to selectively separate hydrogen from gas streams. The integration of such membranes with appropriate catalysts in membrane reactors allows for hydrogen production with CO2 capture that can be applied in smaller bioenergy or combined heat and power (CHP) plants, as well as in large-scale power plants. Pd-based membranes are therefore regarded as a Key Enabling Technology (KET) to facilitate the transition towards a knowledge-based, low-carbon, and resource-efficient economy. This Special Issue of the journal Membranes on “Pd-based Membranes: Overview and Perspectives” contains nine peer-reviewed articles. Topics include manufacturing techniques, understanding of material phenomena, module and reactor design, novel applications, and demonstration efforts and industrial exploitation.

Optics and Spectroscopy for Fluid Characterization

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ISBN: 9783038970217 9783038970224 Year: Pages: VIII, 120 Language: Englisch
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Chemical Engineering
Added to DOAB on : 2018-08-21 15:51:54
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All over the world, there is a huge and ever-increasing interest in the development and application of optical and spectroscopic techniques to characterize fluids in engineering and science. The large number of review articles that are frequently published in these areas is evidence of this. Recent examples have focused on applications of optical diagnostics to gas phase environments, liquids, and multiphase systems. A key feature of such light-based methods is that they are usually non-intrusive, and hence they do not notably affect the system under investigation. As a consequence, optical techniques have been developed for many decades and represent the gold standard in many fields. The list of individual techniques utilizing absorption, refraction, diffraction and scattering effects is long and so is the list of the parameters that can be determined. The latter includes macroscopic properties such as temperature, chemical composition, thermophysical quantities, and flow velocity, but molecular information, e.g., about isomerism and intermolecular interactions, can also be obtained. This Special Issue entitled “Optics and Spectroscopy for Fluid Characterization” aims to demonstrate the breadth of the field in terms of methodology, as well as applications.

Functional Materials Based on Metal Hydrides

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ISBN: 9783038972822 9783038972839 Year: Pages: 180 DOI: 10.3390/books978-3-03897-283-9 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Chemistry (General)
Added to DOAB on : 2018-10-18 10:44:38
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Our extreme and growing energy consumption, based on fossil fuels, has significantly increased the levels of carbon dioxide in the atmosphere, which may lead to global and irreversible climate changes. We have plenty of renewable energy, e.g., sun and wind, but the fluctuations over time and geography call for a range of new ideas and, possibly, novel technologies. The most difficult challenge appears to be the development of the efficient and reliable storage of renewable energy. Hydrogen has long been considered as a potential means of energy storage; however, storage of hydrogen is also challenging. Therefore, a wide range of hydrogen-containing materials, with energy-related functions, has been discovered over the past few decades. The chemistry of hydrogen is very diverse, and so also are the new hydrides that have been discovered, not only in terms of structure and composition but also in terms of their properties. This has led to a wide range of new possible applications of metal hydrides that permeate beyond solid-state hydrogen storage. A variety of new hydrides, proposed as battery materials, has been discovered. These can exploit properties as fast ion conductors or as conversion-type electrodes with much higher potential energy capacities, compared to materials currently used in commercial batteries. Solar heat storage is also an area of great potential for metal hydrides, in principle offering orders of magnitude better storage performance than phase change materials. Recently, hydrides with optical and superconducting properties have also been investigated. This Special Issue of Inorganics, entitled “Functional Materials Based on Metal Hydrides”, is dedicated to the full range of emerging electronic, photonic, and energy-related, inorganic, hydrogen-containing materials.

First-Principles Approaches to Metals, Alloys, and Metallic Compounds

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ISBN: 9783038973584 9783038973591 Year: Pages: 180 DOI: 10.3390/books978-3-03897-359-1 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Mining and Metallurgy --- Chemistry (General)
Added to DOAB on : 2018-11-26 11:24:24
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Current fundamental electronic-structure theory allows for the accurate prediction and characterization of elemental metals adopting any allotropic structure, intermetallic compounds, and other metal-rich phases. From an engineering perspective, there is a need for structural materials that are suitable for mechanical and civil engineering as well as energy production and conversion. While different microstructural features influence the macroscopic behaviour, quantum-mechanical simulation may enormously accelerate and guide the entire development process since atomistic modelling allows for the generation of structural models and the calculation of enthalpies and other free energies as a function of pressure and temperature. Among other things, this volume covers high-manganese steels, some of which have come to light within Collaborative Research Centre 761 (“Steel ab initio”). In particular, it deals with short-range ordering from experiment and theory, also highlighting carbide-like precipitates, and it bridges the gap between atomistic and continuum levels, in particular for hydrogen embrittlement. Molecular dynamics simulates crack propagation, and first-principles theory helps in growing better intermetallic thin films and predicts structural and elastic properties. Eventually, multiscale modelling of hydrogen transport is provided, and the chemical reasons for H-trapping κ-carbides are highlighted. First-principles theory has acquired a powerful role in the fundamental and applied research of metals, alloys, and metallic compounds.

Membrane and Membrane Reactors Operations in Chemical Engineering

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ISBN: 9783039210220 / 9783039210237 Year: Pages: 154 DOI: 10.3390/books978-3-03921-023-7 Language: eng
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Technology (General) --- General and Civil Engineering --- Environmental Engineering
Added to DOAB on : 2019-06-26 10:09:00
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This Special Issue is aimed at highlighting the potentialities of membrane and membrane reactor operations in various sectors of chemical engineering, based on application of the process intensification strategy. In all of the contributions, the principles of process intensification were pursued during the adoption of membrane technology, demonstrating how it may lead to the development of redesigned processes that are more compact and efficient while also being more environmental friendly, energy saving, and amenable to integration with other green processes. This Special Issue comprises a number of experimental and theoretical studies dealing with the application of membrane and membrane reactor technology in various scientific fields of chemical engineering, such as membrane distillation for wastewater treatment, hydrogen production from reforming reactions via inorganic membrane and membrane photoassisted reactors, membrane desalination, gas/liquid phase membrane separation of CO2, and membrane filtration for the recovery of antioxidants from agricultural byproducts, contributing to valorization of the potentialities of membrane operations.

Photocatalysis: Fundamentals, Materials and Potential

ISBN: 9783038421832 9783038421849 Year: Pages: 684 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Added to DOAB on : 2016-06-03 11:17:10
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Metals Challenged by Neutron and Synchrotron Radiation

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ISBN: 9783038426790 9783038426806 Year: Pages: 288 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Mining and Metallurgy
Added to DOAB on : 2018-02-08 13:10:36
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Neutron and Synchrotron radiation methods have matured to become powerful techniques for the study of a vast range of materials, including metals. The characterization methods comprise the categories of diffraction, spectroscopy and imaging, which themselves can alter greatly in detail, to include hundreds of variants, problems and sample environments. In a similar way, their applications to metals and hard condensed matter materials cover disciplines spanning engineering, physics, chemistry, materials science and their derivatives such as geology, energy storage, etc. … The present book, “Metals Challenged by Neutron and Synchrotron Radiation” is a first compilation in Metals of 20 original and review works on research utilizing or designing those state-of-the-art techniques at modern facilities. The Editorial reviews the context of and identifies thematic links between these papers, grouping them into five interwoven themes, namely Sintering Techniques and Microstructure Evolution, Titanium Aluminides and Titanium Alloys Under Extreme Conditions, Metallic Glass and Disordered Crystals, In Situ and Time-Resolved Response to Mechanical Load and Shock, and Thin Films and Layers. This book represents a good cross-section of the status quo of neutron and synchrotron radiation with respect to questions in the metallurgical field, which by far is not exhaustive. Nor are the methods and other materials, which motivated me to the creation of a new sister-journal, entitled Quantum Beam Science. With this, I would like to thank all authors, reviewers and contributors behind the scene for the creation of this work, presenting to you a piece of interesting reading and reference literature.

Crystal Chemistry of Zinc, Cadmium and Mercury

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ISBN: 9783038976523 Year: Pages: 156 DOI: 10.3390/books978-3-03897-653-0 Language: eng
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Organic Chemistry --- Chemistry (General) --- Science (General)
Added to DOAB on : 2019-04-05 10:34:31
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This book is a printed edition of the Special Issue Crystal Chemistry of Zinc, Cadmium and Mercury that was published in Crystals

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