As global demands for energy and lower carbon emissions rise, developing systems of energy conversion and storage becomes necessary. This book explores how Electrochemical Energy Storage and Conversion (EESC) devices are promising advanced power systems that can directly convert chemical energy in fuel into power, and thereby aid in proposing a solution to the global energy crisis. The book focuses on high-temperature electrochemical devices that have a wide variety of existing and potential applications, including the creation of fuel cells for power generation, production of high-purity hydrogen by electrolysis, high-purity oxygen by membrane separation, and various high-temperature batteries. High-Temperature Electrochemical Energy Conversion and Storage: Fundamentals and Applications provides a comprehensive view of the new technologies in high-temperature electrochemistry. Written in a clear and detailed manner, it is suitable for developers, researchers, or students of any level.

Numerous essential biological functions involve metalloproteins; therefore, understanding metalloproteins and how to manipulate them is significant in the biological and medical fields. An examination of current research, Metalloproteins: Theory, Calculations, and Experiments explores the interplay between theory and experiment, detailing the role of theoretical modeling in the field and explaining how it aids experiments. The text also presents the current state of computational protein modeling, enabling researchers to adopt computation as an integral component of their studies. This book addresses two different aspects on metalloproteins in unison. It reviews the development of theoretical and computational methods for metalloprotein simulation with specific examples. The authors also present some of the most intriguing and important experimental results on metalloprotein systems. Although a connection can be made between these two aspects of the research, the authors do not do so explicitly. Rather, they provide the platform required to ignite further collaboration between experimentalists and theoreticians. A collection of works from top researchers in this field, the text presents diverse subjects that comprehensively reflect the current state of metalloprotein research. With these advances in structural information, theory and computation are starting to play a more significant role, particularly in identifying the reaction mechanism. The book summarizes some of the recent progress in both experiments and theory/computation showing the synergy that is now developing.

Update your knowledge of the chemical, biological, and physical properties of liquid-liquid interfaces with Liquid-Liquid Interfaces: Theory and Methods. This valuable reference presents a broadly based account of current research in liquid-liquid interfaces and is ideal for researchers, teachers, and students. Internationally recognized investigators of electrochemical, biological, and photochemical effects in interfacial phenomena share their own research results and extensively review the results of others working in their area. Because of its unusually wide breadth, this book has something for everyone interested in liquid-liquid interfaces. Topics include interfacial and phase transfer catalysis, electrochemistry and colloidal chemistry, ion and electron transport processes, molecular dynamics, electroanalysis, liquid membranes, emulsions, pharmacology, and artificial photosynthesis. Enlightening discussions explore biotechnological applications, such as drug delivery, separation and purification of nuclear waste, catalysis, mineral extraction processes, and the manufacturing of biosensors and ion-selective electrodes. Liquid-Liquid Interfaces: Theory and Methods is a well-written, informative, one-stop resource that will save you time and energy in your search for the latest information on liquid-liquid interfaces.

Conjugated Objects: Development, Synthesis, and Application contains 17 chapters written by young researchers and contains current trends in pi-conjugated systems for application in broad research areas such as design of unique pi-conjugation, catalysts, self-assembly, charge transfer complexes, liquid crystals, supramolecules, and nanostructures by using conjugated small and/or macro-objects organically or electrochemically. The book can be used as a textbook of basic learning by undergraduate and graduate students of chemistry, electrical and electronics engineering, and materials science and by supramolecular researchers in nanotechnology and biotechnology.

"a gem of a textbook which manages to produce a genuinely fresh, concise yet comprehensive guide" -Mark Leake, University of York "destined to become a standard reference.... Not just a 'how to' handbook but also an accessible primer in the essentials of kinetic theory and practice." -Michael Geeves, University of Kent "covers the entire spectrum of approaches, from the traditional steady state methods to a thorough account of transient kinetics and rapid reaction techniques, and then on to the new single molecule techniques" -Stephen Halford, University of Bristol This illustrated treatment explains the methods used for measuring how much a reaction gets speeded up, as well as the framework for solving problems such as ligand binding and macromolecular folding, using the step-by-step approach of numerical integration. It is a thoroughly modern text, reflecting the recent ability to observe reactions at the single-molecule level, as well as advances in microfluidics which have given rise to femtoscale studies. Kinetics is more important now than ever, and this book is a vibrant and approachable entry for anyone who wants to understand mechanism using transient or single molecule kinetics without getting bogged down in advanced mathematics. Clive R. Bagshaw is Emeritus Professor at the University of Leicester, U.K., and Research Associate at the University of California at Santa Cruz, U.S.A.

"a gem of a textbook which manages to produce a genuinely fresh, concise yet comprehensive guide" -Mark Leake, University of York "destined to become a standard reference.... Not just a 'how to' handbook but also an accessible primer in the essentials of kinetic theory and practice." -Michael Geeves, University of Kent "covers the entire spectrum of approaches, from the traditional steady state methods to a thorough account of transient kinetics and rapid reaction techniques, and then on to the new single molecule techniques" -Stephen Halford, University of Bristol This illustrated treatment explains the methods used for measuring how much a reaction gets speeded up, as well as the framework for solving problems such as ligand binding and macromolecular folding, using the step-by-step approach of numerical integration. It is a thoroughly modern text, reflecting the recent ability to observe reactions at the single-molecule level, as well as advances in microfluidics which have given rise to femtoscale studies. Kinetics is more important now than ever, and this book is a vibrant and approachable entry for anyone who wants to understand mechanism using transient or single molecule kinetics without getting bogged down in advanced mathematics. Clive R. Bagshaw is Emeritus Professor at the University of Leicester, U.K., and Research Associate at the University of California at Santa Cruz, U.S.A.

Uses Computational Tools to Simulate Endocrine Disruption Phenomena Endocrine Disruption Modeling provides a practical overview of the current approaches for modeling endocrine activity and the related potential adverse effects they may induce on environmental and human health. Based on the extensive research of an international panel of contributors from industry, academia, and regulatory agencies, this is the first book devoted to using computer tools to better understand and simulate the multifaceted aspects of endocrine disruption in humans and wildlife. Explores Diverse Modeling Techniques and Applications This up-to-date resource focuses on xenobiotics that are accidentally released into the environment with the potential to disturb the normal functioning of the endocrine system of invertebrates and vertebrates but also on the specific agro-chemistry design of chemicals that take control of insect endocrine systems. A comprehensive research reference, Endocrine Disruption Modeling provides a collection of computational strategies to model these structurally diverse chemicals. It concludes with a review of the available e-resources in the field, rounding out the book's task-oriented approach to future EDC discovery. Endocrine Disruption Modeling is the first book in the QSAR in Environmental and Health Sciences series (James Devillers, [email protected]).

While the relevant features and properties of nanosystems necessarily depend on nanoscopic details, their performance resides in the macroscopic world. To rationally develop and accurately predict performance of these systems we must tackle problems where multiple length and time scales are coupled. Rather than forcing a single modeling approach to predict an event it was not designed for, a new paradigm must be employed: multiscale modeling. A brilliant solution to a pervasive problem, Multiscale Modeling: From Atoms to Devices offers a number of approaches for which more than one scale is explicitly considered. It provides several alternatives, from coarse-graining sampling of the atomic and mesoscale to Monte Carlo- and thermodynamic-based models that allow sampling of increasingly large scales up to multiscale models able to describe entire devices. Beginning with common techniques for coarse-graining, the book discusses their theoretical background, advantages, and limitations. It examines the application-dependent parameterization characteristics of coarse-graining along with the "finer-trains-coarser" multiscale approach and describes three carefully selected examples in which the parameterization, although based on the same principles, depends on the actual application. The book considers the use of ab initio and density functional theory to obtain parameters needed for larger scale models, the alternative use of density functional theory parameters in a Monte Carlo method, and the use of ab initio and density functional theory as the atomistic technique underlying the calculation of thermodynamics properties of alloy phase stability. Highlighting one of the most challenging tasks for multiscale modelers, Multiscale Modeling: From Atoms to Devices also presents modeling for nanocomposite materials using the embedded fiber finite element method (EFFEM). It emphasizes an ensemble Monte Carlo method to high field-charge transport problems and demonstrates the practical application of modern many-body quantum theories. The author maintains a website with additional information.

In his thesis Fluorescence in Bio-inspired Nanotechnology, Jonas Hannestad describes the evolving field of DNA nanotechnology in a lucid and easily accessible way. A central theme in the thesis is how biological structures and mechanisms constitute a basis for the design of novel technologies. Hannestad discusses how self-assembled, nanometer-scale DNA constructs can be functionalized using fluorescent labeling. In particular, he highlights how applications are based on fluorescence resonance energy transfer (FRET). Another important contribution is the development of a lipid monolayer platform for the step-by-step assembly of DNA nanoconstructs. The work in the thesis is based on five peer-reviewed papers published in high-profile journals, all of which involve major contributions from the author.

This introduction to the principles and application of electrochemistry is presented in a manner designed for undergraduates in chemistry and related fields. The author covers the essential aspects of the subject and points the way to further study, his concern being with the overall shape of electrochemistry, its coherence and its wider application. This edition differs from its predecessors in having principles and applications separated, and greater prominence is given to areas such as electrochemical sensors and electroanalytical techniques, of which a number of modern methods were not included in previous editions. A range of numerical problems and outline solutions is provided for each chapter to cover most situations that a student might encounter.

Expensive, delicate, and difficult to operate, femtosecond lasers have already won two Nobel Prizes and created multi-billion dollar industries. As these lasers break out of laboratories for use in real-world large-scale applications, the number of people using them increases. This book provides a fresh perspective on femtosecond lasers, discussing how they are soon to become a universal light source, spanning any timescale and generating any wavelength of light. Starting from the basics of light itself, this book presents in an everyday manner, with clear illustrations and without formulas, what makes this class of lasers so versatile and the future of many more applications. Many of the subjects covered in this book are described in plain words for the first time.

The Ion Exchange and Solvent Extraction series treats ion exchange and solvent extraction both as discrete topics and as a unified, multidisciplinary study - presenting new insights for researchers in many chemical and related fields.;Volume 12 contains coverage of: the nature of metal-ion interaction with oppositely charged sites of ion exchangers; high-pressure ion exchange separation of rare earth elements; the commercial recovery of valuable minerals from seawater and brines by ion exchange and sorption; the kinetics of ion exchange in heterogenous systems; the ion-exchange equilibria of amino acids; and more.;The work is intended for analytical, co-ordination, process, separation, surface, organic, inorganic, physical and environmental chemists, geochemists, electrochemists, radiochemists, biochemists, biophysicists, hydrometallurgists, membrane researchers and chemical engineers.

The periodic table is one of the most potent icons in science. It lies at the core of chemistry and embodies the most fundamental principles of the field. The one definitive text on the development of the periodic table by van Spronsen (1969), has been out of print for a considerable time. The present book provides a successor to van Spronsen, but goes further in giving an evaluation of the extent to which modern physics has, or has not, explained the periodic system. The book is written in a lively style to appeal to experts and interested lay-persons alike.
The Periodic Table begins with an overview of the importance of the periodic table and of the elements and it examines the manner in which the term 'element' has been interpreted by chemists and philosophers. The book then turns to a systematic account of the early developments that led to the classification of the elements including the work of Lavoisier, Boyle and Dalton and Cannizzaro. The precursors to the periodic system, like Dobereiner and Gmelin, are discussed. In chapter 3 the discovery of the periodic system by six independent scientists is examined in detail.
Two chapters are devoted to the discoveries of Mendeleev, the leading discoverer, including his predictions of new elements and his accommodation of already existing elements. Chapters 6 and 7 consider the impact of physics including the discoveries of radioactivity and isotopy and successive theories of the electron including Bohr's quantum theoretical approach. Chapter 8 discusses the response to the new physical theories by chemists such as Lewis and Bury who were able to draw on detailed chemical knowledge to correct some of the early electronicconfigurations published by Bohr and others.
Chapter 9 provides a critical analysis of the extent to which modern quantum mechanics is, or is not, able to explain the periodic system from first principles. Finally, chapter 10 considers the way that the elements evolved following the Big Bang and in the interior of stars. The book closes with an examination of further chemical aspects including lesser known trends within the periodic system such as the knight's move relationship and secondary periodicity, as well at attempts to explain such trends.

This book offers unique coverage of the mechanical properties of nano- and micro-dispersed magnetic fluids. Magnetic fluids are artificially created materials that do not exist in the nature. Researchers developing materials and devices are keenly interested in their "mutually exclusive" properties including fluidity, compressibility, and the ability to magnetize up to saturation in relatively small magnetic fields. Applications of micro- and nanodispersed magnetic fluids include magnetic-seals, magnetically operated grease in friction units and supports, separators of non-magnetic materials, oil skimmers and separators, sensors of acceleration and angle, and gap fillers in loudspeakers.

Electrochemical Polymer Electrolyte Membranes covers PEMs from fundamentals to applications, describing their structure, properties, characterization, synthesis, and use in electrochemical energy storage and solar energy conversion technologies. Featuring chapters authored by leading experts from academia and industry, this authoritative text: Discusses cutting-edge methodologies in PEM material selection and fabrication Points out important challenges in developing PEMs and recommends mitigation strategies to improve PEM performance Analyzes the current integration of PEMs with primary power devices and explores research trends for the next generation of PEMs Electrochemical Polymer Electrolyte Membranes provides a systematic overview of the state of the art of PEM development, making the book a beneficial resource for researchers, students, industrial professionals, and manufacturers.

An ever-increasing dependence on green energy has brought on a renewed interest in polymer electrolyte membrane (PEM) electrolysis as a viable solution for hydrogen production. While alkaline water electrolyzers have been used in the production of hydrogen for many years, there are certain advantages associated with PEM electrolysis and its relevance to renewable energy sources. PEM Electrolysis for Hydrogen Production: Principles and Applications discusses the advantages of PEM electrolyzers over alkaline electrolyzers, presents the recent advances of hydrogen PEM fuel cells accelerating the large-scale commercialization of PEM electrolysis, and considers the challenges that must be addressed before PEM electrolysis can become a commercially feasible option. Written by international scientists in PEM electrolysis and fuel cell research areas, this book addresses the demand for energy storage technologies that store intermittent renewable energy and offers the most complete and up-to-date information on PEM electrolysis technology and research. The authors: Cover the fundamental applications of PEM electrolysis Review the state-of-the-art technologies and challenges related to each of the components of the PEM electrolysis Address failure analysis and review available failure diagnostic tools Provide future direction for researchers and technology developers PEM Electrolysis for Hydrogen Production: Principles and Applications provides a fundamental understanding of the requirements and functionalities of certain components and attributes of the PEM electrolysis technology that are common for both PEM fuel cells' and electrolyzers' hydrogen applications for energy storage. Beneficial to students and professionals, the text serves as a handbook for identifying PEM electrolysis failure modes and diagnosing electrolyzer performance to improve efficiency and durability.

Surface chemistry plays an important role in everyday life, as the basis for many phenomena as well as technological applications. Common examples range from soap bubbles, foam, and raindrops to cosmetics, paint, adhesives, and pharmaceuticals. Additional areas that rely on surface chemistry include modern nanotechnology, medical diagnostics, and drug delivery. There is extensive literature on this subject, but most chemistry books only devote one or two chapters to it. Surface Chemistry Essentials fills a need for a reference that brings together the fundamental aspects of surface chemistry with up-to-date references and data from real-world examples.This book enables readers to better understand many natural phenomena and industrial processes. Mathematical treatment is mainly given as references to make the material accessible to individuals with a broader range of scientific backgrounds. The book begins by introducing basic considerations with respect to liquid and solid surfaces and describes forces in curved versus flat liquid surfaces. Chapters cover properties of surface active substances, such as surfactants and soaps; lipid films and Langmuir-Blodgett films; and adsorption and desorption on solid surfaces. The author discusses processes involved in liquidsolid interface phenomena, which are utilized in washing, coatings, lubrication, and more, and colloid chemistry systems and related industrial applications such as wastewater treatment. The author also addresses bubbles, films, and foams and the principles of oil water emulsion science, used in detergents, paints, and skin creams. The final chapter considers more complex applications, for example, food emulsions, scanning probe miscroscopy, the cement industry, and gas and oil recovery.

Molecular modeling is becoming an increasingly important part of chemical research and education as computers become faster and programs become easier to use. The results, however, have not become easier to understand. Addressing the need for a "workshop-oriented" book, Molecular Modeling Basics provides the fundamental theory needed to understand not only what molecular modeling programs do, but also the gist of research papers that describe molecular modeling results. Written in a succinct manner using informal language, the book presents concise coverage of key concepts suitable for novices to the field. It begins by examining the potential energy surface (PES), which provides the connection between experimental data and molecular modeling. It explores ways to calculate energy by molecular and quantum mechanics. It describes molecular properties and the condensed phase, and shows how to extract and interpret information from a program output. The author uses hands-on exercises to illustrate concepts and he supplements the text with a blog containing animated tutorials and interactive figures. Drawn from the author's own lecture notes from a class he taught for many years at the University of Iowa, this volume introduces topics in such a way that beginners can clearly comprehend molecular modeling results. A perfect supplement to a molecular modeling textbook, the book offers students the "hands-on" practice they need to grasp sophisticated concepts. In addition to his blog, the author maintains a website describing his research and one detailing his seminars.

From forensics and security to pharmaceuticals and environmental applications, spectroscopic detection is one of the most cost-effective methods for identifying chemical compounds in a wide range of disciplines. For spectroscopic information, correlation charts are far more easily used than tables, especially for scientists and students whose own areas of specialization may lie elsewhere. The CRC Handbook of Fundamental Spectroscopic Correlation Charts provides a collection of spectroscopic information and unique correlation charts for use in the interpretation of spectroscopic measurements. The handbook presents useful analysis and assignment of spectra and structural elucidation of organic and organometallic molecules. The correlation charts are compiled from an extensive search of spectroscopic literature and contain current, detailed information that includes new results for many compounds. The handbook includes graphical data charts for nuclear magnetic resonance spectroscopy of the most useful nuclei, as well as infrared and ultraviolet spectrophotometry. Because mass spectrometry data is not best represented graphically, the data are presented in tabular form, where mass spectrometry can be used for analyses and structural determinations in tandem with other techniques. In addition to presenting absorption bands and intensities for a variety of important functional groups and chemical families, the book also discusses instrument calibration, diagnostics, common solvents, fragmentation patterns, several practical conversion tables, and laboratory safety. Not intended to replace reference works that provide exhaustive spectral charts on specific compound classes, this book fills the need for fundamental charts that are needed on a general, day-to-day basis. The CRC Handbook of Fundamental Spectroscopic Correlation Charts is an ideal laboratory companion for students and professionals in academic, industrial, and government labs.

The growth in the world's nuclear industry, motivated by peaking world oil supplies, concerns about the greenhouse effect, and domestic needs for energy independence, has resulted in a heightened focus on the need for next-generation nuclear fuel-cycle technologies. Ion Exchange and Solvent Extraction: A Series of Advances, Volume 19 provides a comprehensive look at the state of the science underlying solvent extraction in its role as the most powerful separation technique for the reprocessing of commercial spent nuclear fuel. Capturing the current technology and scientific progress as it exists today and looking ahead to potential developments, the book examines the overall state of solvent extraction in reprocessing, new molecules for increased selectivity and performance, methods for predicting extractant properties, and actinide-lanthanide group separation. The contributors also explore the simultaneous extraction of radionuclides by mixing extractants, the cause and nature of third-phase formation, the effects of radiation on the solvent and its performance, analytical techniques for measuring process concentrations, new centrifugal contactors for more efficient processing, and new chemistry using novel media. The long-term vision of many professionals in the field entails a proliferation-free nuclear energy economy in which little or no waste is stored or released into the environment and all potential energy values in spent nuclear fuel are recycled. This text opens a window on that possibility, offering insight from world leaders on the cutting edge of nuclear research.

Unravels Complex Problems through Quantum Monte Carlo Methods Clusters hold the key to our understanding of intermolecular forces and how these affect the physical properties of bulk condensed matter. They can be found in a multitude of important applications, including novel fuel materials, atmospheric chemistry, semiconductors, nanotechnology, and computational biology. Focusing on the class of weakly bound substances known as van derWaals clusters or complexes, Stochastic Simulations of Clusters: Quantum Methods in Flat and Curved Spaces presents advanced quantum simulation techniques for condensed matter. The book develops finite temperature statistical simulation tools and real-time algorithms for the exact solution of the Schroedinger equation. It draws on potential energy models to gain insight into the behavior of minima and transition states. Using Monte Carlo methods as well as ground state variational and diffusion Monte Carlo (DMC) simulations, the author explains how to obtain temperature and quantum effects. He also shows how the path integral approach enables the study of quantum effects at finite temperatures. To overcome timescale problems, this book supplies efficient and accurate methods, such as diagonalization techniques, differential geometry, the path integral method in statistical mechanics, and the DMC approach. Gleaning valuable information from recent research in this area, it presents special techniques for accelerating the convergence of quantum Monte Carlo methods.

Modern adhesive dentistry has numerous applications in cariology, as well as in aesthetic and pediatric dentistry, prosthodontics, implantology, and orthodontics-in essence, in comprehensive dental care. This unique book addresses various ramifications of adhesion and adhesives in the broad domain of dentistry. The topics covered include testing aspects of dental materials, dentin bonding, restorations, and adhesion promotion. This book reflects the cumulative wisdom of many world-renowned researchers and provides a useful reference to anyone involved in the various aspects of dentistry.

In the 20 years since the pilot plant experiments used to develop the concept of electroviscoelasticity, inroads have been made in the understanding of its many related processes. Interfacial Electroviscoelasticity and Electrophoresis meets a massive scientific challenge by presenting deeper research and developments in the basic and applied science and engineering of finely dispersed particles and related systems. Introducing more profound and in-depth treatises related to the liquid-liquid finely dispersed systems (i.e., emulsions and double emulsions), this book describes a new theory developed through the authors' work. These findings are likely to impact other research and applications in a wide array of other fields, considering that the modeling of liquid-liquid interfaces is key to numerous chemical manufacturing processes, including those used for emulsions, suspensions, nanopowders, foams, biocolloids, and plasmas. The authors cover phenomena at the micro, nano, and atto-scales, and their techniques, theory, and supporting data will be of particular interest to nanoscientists, especially with regard to the breaking of emulsions. This groundbreaking book: Takes an interdisciplinary approach to elucidate the momentum transfer and electron transfer phenomena Covers less classical chemical engineering insight and modern molecular and atomic engineering Reviews basic theory of electrokinetics, using the electrophoresis of rigid particles as an example Built around the central themes of hydrodynamic, electrodynamic, and thermodynamic instabilities that occur at interfaces, this book addresses recently developed concepts in the physics, chemistry, and rheological properties of those well-studied interfaces of rigid and deformable particles in homo- and hetero-aggregate dispersed systems. The book also introduces the key phenomenon of electrophoresis, since it is widely adopted either as an analytical tool to characterize the surface properties of colloid-sized particles or in the separation and purification process of both laboratory and industrial scales. The applications and implications of the material presented in the book represent a major contribution to the advanced fundamental, applied, and engineering research of interfacial and colloidal phenomena.

This work focuses on the environmental availability and effects, toxicological properties and numerous applications of cationic surfactants, detaling the modern analytical processes by which this important class of compounds may be studied. It discusses the types of microorganisms that are susceptible or refractory to the actions of cationic agents.

"This comprehensive guide illustrates the effects of dispersions in applications, the means necessary to achieve these effects with optical results, and how to overcome or avoid the difficulties encounteredemphasizing the dispersions of solid particles in liquid or solid media."