Chemistry at the Frontier with Physics and Computer Science: Theory and Computation shows how chemical concepts relate to their physical counterparts and can be effectively explored via computational tools. It provides a holistic overview of the intersection of these fields and offers practical examples on how to solve a chemical problem from a theoretical and computational perspective, going from theory to models, methods and implementation. Sections cover both sides of the Born-Oppenheimer approximation (nuclear dynamics and electronic structure), chemical reactions, chemical bonding, and cover theory to practice on three related physical problems (wavepacket dynamics, Hartree-Fock equations and electron-cloud redistribution). Drawing on the interdisciplinary knowledge of its expert author, this book provides a contemporary guide to theoretical and computational chemistry for all those working in chemical physics, physical chemistry and related fields.

Atlas of Material Damage, Third Edition provides a systematic analysis of modes of damage and morphology of damaged material and compares the experiences of different industries to provide insights into the most frequently encountered failures, reasons for these failures, and potential improvements to prevent future failure. The book covers defect formation, material damage, and how structure of materials impacts designed function. The effects of composition, processing conditions, and singular and combined actions of different degradants on industrial products are discussed at length. Technological steps required to obtain specifically designed morphology for specific performance are outlined, and numerous examples of how this special morphology can be achieved and deployed in electronics, plastics, pharmaceuticals, aerospace, automotive, medical, dental and a range of other fields and applications is also covered.

Applications of Polymers and Plastics in Medical Devices: Design, Manufacture, and Performance is a comprehensive guide to plastic materials for medical devices, covering fundamentals, materials, applications and regulatory requirements. Sections cover the role of plastics in medical devices, socioeconomic factors, the classification of medical devices. The performance of, medical grades and suppliers of polymer materials, which are categorized by performance level are also explored, along with manufacturing processes for device components, including extrusion, casting, injection molding and assembly processes. The book then covers applications in detail, examining each device and the role that polymers and plastics play in its construction and function. This is an essential resource for engineers, R&D, and other professionals working on plastics for medical devices and those in the plastics industry, medical device manufacturing, pharmaceuticals, packaging and biotechnology. In an academic setting, this book is of interest to researchers and advanced students in medical plastics, plastics engineering, polymer science, mechanical engineering, chemical engineering, biomedical engineering and materials science.

Bio-Based Flame Retardants for Polymeric Materials provides a comprehensive overview of flame retardants derived directly and indirectly from plant sources, drawing on cutting-edge research and covering preparation methods, testing and evaluation techniques, enhanced properties, and end applications. Chapters introduce bio-based materials in the context of additives for flame retardancy, explaining fundamentals and testing methods and analyzing synthetic approaches and the potential advantages of pursuing a bio-based approach. This is followed by detailed coverage of bio-based retardants, with each chapter covering a specific source and guiding the reader systematically through preparation techniques, evaluation methods, properties and applications. Throughout the book, the latest progress in the field is critically reviewed, and there is a continual emphasis on novel approaches to achieve enhanced properties and performant materials. This is an essential guide for all those with an interest in innovative, sustainable flame retardant additives for polymeric materials, including researchers, scientists, advanced students, and more.

Properties and Functionalization of Graphene: Computational Chemistry Approaches, Volume 21 shows how computational chemistry can be used to explore molecular interactions when modeling and manipulating graphene's properties for varied applications. Sections compare results and experimental evidence, cover the experimental techniques employed in the functionalization of graphene and associated challenges, and delve into the properties of functionalized graphene. Under the guidance of its expert editor, this book shares insights from a global team of specialists, making it an authoritative, practical guide for all those studying, developing or applying graphene across a whole range of fields.

Sustainable Polylactide-Based Blends provides a critical overview of the state-of-the-art in polylactide (PLA)-based blends, addressing the latest advances, innovative processing techniques and fundamental issues that persist in the field. Sections cover the fundamentals of sustainable polymeric materials, polylactide and polymer blends, current and upcoming processing technologies, structure and morphology characterization techniques for PLA and PLA-based blends, and the processing, morphology development, and properties of polylactide-based blends. Final chapters focus on current and future applications, market potential, key challenges and future outlooks. Throughout the book, theoretical modeling of immiscible polymer blends helps to establish structure-property relationships in various PLA-based polymer blends. With in-depth coverage of fundamentals and processing techniques, the book aims to support the selection of each processing method, along with an understanding of surface chemistry to achieve improved compatibility between phases.

Molecular Modeling of the Sensitivities of Energetic Materials, Volume 22 introduces experimental aspects, explores the relationships between sensitivity, molecular structure and crystal structure, discusses insights from numerical simulations, and highlights applications of these approaches to the design of new materials. Providing practical guidelines for implementing predictive models and their application to the search for new compounds, this book is an authoritative guide to an exciting field of research that warrants a computer-aided approach for the investigation and design of safe and powerful explosives or propellants. Much recent effort has been put into modeling sensitivities, with most work focusing on impact sensitivity and leading to a lot of experimental data in this area. Models must therefore be developed to allow evaluation of significant properties from the structure of constitutive molecules.

PEDOT is currently the most widely used polymeric material in research and development. Over the past 10 years, PEDOT has been investigated for potential organic thermoelectric applications because of its superior thermoelectric and mechanical properties compared with other conductive polymers. However, many challenges remain to be solved before it is translated into key technologies. Advanced PEDOT Thermoelectric Materials summarizes current progress and the challenges of PEDOT thermoelectric materials, while clarifying directions for future development. This book provides a comprehensive overview of chemical, physical, and technical information about this organic thermoelectric polymer. The authors also give details about the theoretical basis of PEDOT, including preparation and characterization, and its development as a high-performance thermoelectric material.

Rheology: Concepts, Methods, and Applications, Fourth Edition provides a thorough historical and theoretical grounding in the field and introduces rheology as the method for solving many practical problems in materials science and engineering. This new edition has been updated to include new evidence-based methods and applications, coverage of non-Newtonian properties and their effect on material processing, heterogeneity in flow, rheology of highly concentrated emulsions and suspensions, viscosity and viscoelastic behavior of nanocomposites, the behavior of supramolecular solutions, rheology of gels, deformation-induced anisotropy, conformation changes during flow and molecular orientation. The book is practical and relevant for industry, but also consistent with rheology courses in academia, making it relevant to both academics and accomplished rheologists in industry.

Thermally Activated Delayed Fluorescence Organic Light-Emitting Diodes (TADF-OLEDs) comprehensively introduces the history of TADF, along with a review of fundamental concepts. Then, TADF emitters with different colors, such as blue, green, red and NIR as well as white OLEDs are discussed in detail. Other sections cover exciplex-type TADF materials, emerging application of TADF emitters as a host in OLEDs, and applications of TADF materials in organic lasers and biosensing.

Databook of Blowing and Auxiliary Agents, Second Edition includes the most current information on foaming technology, guiding users on the proper selection of formulation, which is highly dependent on the mechanisms of action of blowing agents and foaming agents, as well as dispersion and solubility. The book includes properties of 23 groups of blowing agents and the typical range of technical performance for each group, including general properties, physical-chemical properties, health and safety, environmental impact, and applications in different products and polymers. All information is illustrated by chemical reactions and diagrams. Chapters in the book look at foaming mechanisms with the use of solid blowing agents, which are decomposed to the gaseous products by application of heat, production of gaseous products by chemical reaction, and foaming by gases and evaporating liquids.

Innovation in Nano-polysaccharides for Eco-sustainability: From Science to Industrial Applications presents fundamentals, advanced preparation methods, and novel applications for polysaccharide-based nanomaterials. Sections cover the fundamental aspects of polysaccharides and nano-polysaccharides, including their structure and properties, surface modification, processing and characterization. Key considerations are explained in detail, including the connection between the substituents of polysaccharides and their resulting physical properties, renewable resources, their sustainable utilization, and specific high value applications, such as pharmaceuticals, photocatalysts, energy, and wastewater treatment, and more. This is a valuable resource for researchers, scientists, and advanced students across bio-based polymers, nanomaterials, polymer chemistry, sustainable materials, biology, materials science and engineering, and chemical engineering. In industry, this book will support scientists, R&D, and engineers looking to utilize bio-based materials in advanced industrial applications.

Annual Reports on NMR Spectroscopy, Volume 105, the latest release in a series that has established itself as a premier resource for both specialists and non-specialists interested in new techniques and applications pertaining to NMR spectroscopy includes a variety of updated chapters covering Recent advances in dynamic nuclear polarization-enhanced NMR spectroscopy for organic polymers and Functional and structural characterization of membrane-binding proteins using NMR.

Advances in Catalysis, Volume 69 fills the gap between journal papers and textbooks across the diverse areas of catalysis research. For more than 60 years, this series has dedicated itself to record and present the latest progress in the field of catalysis, providing the scientific community with comprehensive and authoritative reviews. This series is an invaluable and comprehensive resource for chemical engineers and chemists working in the field of catalysis in both academia and industry, with this release focusing on solid acids, surface acidity and heterogeneous acid catalysis.

Advances in Physical Organic Chemistry, Volume 55, presents the latest reviews of recent work in physical organic chemistry. The book provides a valuable source of information that is ideal not only for physical organic chemists applying their expertise to both novel and traditional problems, but also for non-specialists across diverse areas who identify a physical organic component in their approach to research. The book's hallmark is its quantitative, molecular level understanding of phenomena across a diverse range of disciplines.

Biopolymer Science for Proteins and Peptides introduces all aspects of natural polymers based on structural proteins and peptides, presenting synthesis, structure, properties, proteins, materials design, and applications. The book begins by presenting the core concepts of polypeptide and protein materials, before discussing synthesis and structure in detail. The next part of the book describes physical properties, biological properties, and issues surrounding stability. Subsequent chapters offer in-depth coverage of both natural and structural protein sources, including collagen, silk, elastin, resilin, keratin, foot protein, and reflectin, and the materials that can be designed from them, such as films, fibers, textiles, microparticles, sponges and scaffolds, nanomaterials, blends, and composites. These materials are also analyzed against the available synthetic polymers. Finally, the text explores current applications and potential future developments. This is an essential resource for researchers and advanced students across a range of disciplines, including biopolymers, structural proteins, polymer science, materials science, biomaterials, biology, biotechnology, chemistry, engineering, and pharmaceutical science. In an industry setting, this is of great interest to scientists and R&D professionals working in industries with an interest in bio-based polymers for advanced applications.

Aggregation-Induced Emission (AIE): A Practical Guide introduces readers to the topic, guiding them through fundamental concepts and the latest advances in applications. The book covers concepts, principles and working mechanisms of AIE in AIE-active luminogens, with different classes of AIE luminogens reviewed, including polymers, three-dimensional frameworks (MOFs and COFs) and supramolecular gels. Special focus is given to the structure-property relationship, structural design strategies, targeted properties and application performance. The book provides readers with a deep understanding, not only on the fundamental principles of AIE, but more importantly, on how AIE luminogens and AIE properties can be incorporated in material development.

Micro and Nanolignin in Aqueous Dispersions and Polymers: Interactions, Properties, and Applications presents the very latest research on lignin biorefinery treatments, production, chemistry, and refining, exploring a range of innovative applications of lignin and lignin-based composites at both the micro and the nanoscale. The book begins by presenting the latest developments in extraction methods and properties, with topics including methods for value-added microlignin, color characteristics, refining and functionalization, depolymerization for phenolic monomer production, and production of sulphur-free lignin nanoparticles. This is followed by in-depth sections focusing on the preparation of lignin for advanced applications at the microscale, then at the nanoscale, covering a range of areas such as construction, fiber manufacturing, food packaging, biomedicine, wood preservation, wastewater treatment, and agriculture. This valuable resource enables the reader to identify the high added value of a biomass residue and supports possible development and use for mass and niche high impact application sectors. This information is of interest to researchers, scientists, and advanced students, across bio-based polymers and bio-composites, polymer science and engineering, nanomaterials, chemistry, sustainable materials, materials science, and chemical engineering. Moreover, it is also addressed to the professionals that as well as those in an R&D industrial setting to are looking on ideas and perspectives on how to utilize bio-based materials in advanced industrial applications.

Handbook on the Physics and Chemistry of Rare Earths: Including Actinides, Volume 60 presents the latest release in this continuous series that covers all aspects of rare earth science, including chemistry, life sciences, materials science and physics.

Synthetic Engineering Materials and Nanotechnology covers the latest research and developments of synthetic processes, materials, applications and technologies. In addition, innovations in synthetic engineering materials techniques are analyzed. Each chapter addresses key concepts, properties and applications of important categories of synthetic materials, including metals alloys, polymers, composites, rubbers, oils and foams. Advances in nanomaterials produced by synthetic engineering methods are also considered, including ceramic, carbon, metal oxide, composite, and membrane-derived nanomaterials. The primary synthetic engineering materials techniques covered include thermo-mechanical, chemical, physiochemical, electrochemical, bottom-up, hybrid and biological methods. This book is suitable for early career researchers in academia and R&D in areas such as materials science and engineering, mechanical engineering and chemical engineering.

Colloidal Foundations of Nanoscience, Second Edition explores the theory and concepts of colloid chemistry and its applications to nanoscience and nanotechnology. The book provides the essential conceptual and methodological tools to approach nano-research issues. The authors' expertise in colloid science will contribute to the understanding of basic issues involved in research. Each chapter covers a classical subject of colloid science in simple and straightforward terms, addressing its relevance to nanoscience before introducing case studies. Sections cover colloids rheology, electrokinetics, nanoparticle tracking analysis (NTA), bio-layer interferometry, and the treatment of inter-particle interactions and colloidal stability.

Iron Ore: Mineralogy, Processing and Environmental Sustainability, Second Edition covers all aspects surrounding the second most important commodity behind oil. As an essential input for the production of crude steel, iron ore feeds the world's largest trillion-dollar-a-year metal market and is the backbone of the global infrastructure. The book explores new ore types and the development of more efficient processes/technologies to minimize environmental footprints. This new edition includes all new case studies and technologies, along with new chapters on the chemical analysis of iron ore, thermal and dry beneficiation of iron ore, and discussions of alternative iron making technologies. In addition, information on recycling solid wastes and P-bearing slag generated in steel mills, sustainable mining, and low emission iron making technologies from regional perspectives, particularly Europe and Japan, are included. This work will be a valuable resource for anyone involved in the iron ore industry.

Green chemistry already draws on many techniques and approaches developed by theoretical chemists, whilst simultaneously revealing a whole range of interesting new challenges for theoretical chemists to explore. Highlighting how work at the intersection of these fields has already produced beneficial results, Green Chemistry and Computational Chemistry: Shared Lessons in Sustainability is a practical, informative guide to combining green and theoretical chemistry principles and approaches in the development of more sustainable practices. Beginning with an introduction to both theoretical chemistry and green chemistry, the book goes on to explore current approaches being taken by theoretical chemists to address green and sustainable chemistry issues, before moving on to highlight ways in which green chemists are employing the knowledge and techniques of theoretical chemistry to help in developing greener processes. The future possibilities for theoretical chemistry in addressing sustainability issues are discussed, before a selection of case studies provides good insight into how these interactions and approaches have been successfully used in practice.

Foamability of Thermoplastic Polymeric Materials presents a cutting-edge approach to thermoplastic polymeric foams, drawing on the latest research and guiding the reader through the fundamental science, foamability, structure-property-processing relationship, multi-phase polymeric materials, degradation characteristics of biodegradable foams and advanced applications. Sections provide detailed information on foam manufacturing technologies and the fundamental science behind foaming, present insights on the factors affecting foamability, cover ways of enhancing the foamability of various polymeric materials, with special focus on multi-phase systems, discuss the degradation of biodegradable foams and special morphology development for scaffolds, packaging, acoustic and super-insulation applications, as well as cell seeding studies in scaffolds. Each application has specific requirements in terms of desired properties. This in-depth coverage and analysis helps those looking to move forward with microcellular processing and polymer foaming. This is an ideal resource for researchers, advanced students and professionals interested in the microcellular processing of polymeric materials in the areas of polymer foaming, polymer processing, plastics engineering and materials science.