This book of general analytical chemistry - as opposed to instrumental analysis or separation methods - in aqueous solutions is focuses on fundamentals, which is an area too often overlooked in the literature. Explanations abound of the chemical and physical principles of different operations of chemical analysis in aqueous solutions. Once these principle are firmly established, numerous examples of applications are also given.

Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and quantum chemical systems. This work offers a rigorous and detailed introduction to the foundations of this theory, up to and including such advanced topics as orbital-dependent functionals as well as both time-dependent and relativistic DFT. Given the many ramifications of contemporary DFT, the text concentrates on the self-contained presentation of the basics of the most widely used DFT variants: this implies a thorough discussion of the corresponding existence theorems and effective single particle equations, as well as of key approximations utilized in implementations. The formal results are complemented by selected quantitative results, which primarily aim at illustrating the strengths and weaknesses of particular approaches or functionals. The structure and content of this book allow a tutorial and modular self-study approach: the reader will find that all concepts of many-body theory which are indispensable for the discussion of DFT - such as the single-particle Green's function or response functions - are introduced step by step, along with the actual DFT material. The same applies to basic notions of solid state theory, such as the Fermi surface of inhomogeneous, interacting systems. In fact, even the language of second quantization is introduced systematically in an Appendix for readers without formal training in many-body theory.

After his first book on the topic "Specific Intermolecular Interactions of Organic Compounds", Baev extends in this book the development of the thermodynamic theory of specific intermolecular interactions to a wider spectrum of nitrogenated and bioorganic compounds: amino alcohols, amino acids, peptides and urea derivatives. The fundamentals of an unconventional approach to the theory of H-bonding and specific interactions are formulated based on a concept of penta- coordinated carbon atoms. New types of hydrogen bonds and specific interactions are substantiated and on the basis of the developed methodology their energies are determined. The new concept of the extra stabilizing effect of isomeric methyl groups on the structure and stability of nitrogenated organic molecules and bioorganic compounds is introduced and the destabilization action on specific interactions is outlined.

This book addresses primarily the engineer in industrial process development, the research chemist in academia and industry, and the graduate student intending to become a reaction engineer. In industry, competitive pressures put a premium on scale-up by large factors to cut development time. To be safe, such development should be based on "fundamental" kinetics that reflect the elementary steps of which the reaction consists. The book forges fundamental kinetics into a practical tool by presenting new, effective methods for elucidation of mechanisms and reduction of complexity without unacceptable sacrifice in accuracy: fewer equations (lesser computational load), fewer coefficients (fewer experiment to determine them). For network elucidation, new rules relating network configurations to observable kinetic behaviour allow incorrect networks to be ruled out by whole classes instead of one by one. For modelling, general equations and algorithms are given from which equations for specific networks can be recovered by simple substitutions.

The procedures are illustrated with examples of industrial reactions including, among others, paraffin oxidation, ethoxylation, hydroformylation, hydrocyanation, shape-selective catalysis, ethane pyrolysis, styrene polymerization, and ethene oligomerization. Many of the rate equations have not been published before.

The expanded edition of the 2001 title, Kinetics of Homogeneous Multistep Reactions includes new chapters on heterogeneous catalysis and periodic and chaotic re-actions; new sections on adsorption, statistical methods, and lumping; and other new detail.
* Contains new chapters on heterogeneous catalysis, oscillations and chaos
* Includes new sections on statistical methods, lumping adsorption and software and databases
* Provides a better understanding of complex reaction mechanisms

Friction force microscopy is an important analytical tool in the field of tribology on the nanometer-scale. The contact area between the probing tip and the sample is reduced to some square nanometers, corresponding to the ideal of a single asperity contact. Traditional concepts, such as friction coefficients, adhesion and elasticity and stick-slip are re-examined with this novel technique. New concepts based upon classical and quantum mechanics are investigated.

Preparation of Liquid Crystalline Elastomers, by F. Brommel, D. Kramer, H. Finkelmann Applications of Liquid Crystalline Elastomers, by C. Ohm, M. Brehmer und R. Zentel Liquid Crystal Elastomers and Light, by Peter Palffy-Muhoray Electro-Opto-Mechanical Effects in Swollen Nematic Elastomers, by Kenji Urayama The Isotropic-to-Nematic Conversion in Liquid Crystalline Elastomers, by Andrija Lebar, George Cordoyiannis, Zdravko Kutnjak und Bostjan Zalar Order and Disorder in Liquid-Crystalline Elastomers, by Wim H. de Jeu und Boris I. Ostrovskii"

"Unravelling the Mystery of the Atomic Nucleus" is a history of atomic and nuclear physics. It begins in 1896 with the discovery of radioactivity, which leads to the discovery of the nucleus at the center of the atom. It follows the experimental discoveries and the theoretical developments up to the end of the Fifties.

Unlike previous books regarding on history of nuclear physics, this book methodically describes how advances in technology enabled physicists to probe the physical properties of nuclei as well as how the physical laws which govern these microscopic systems were progressively discovered. The reader will gain a clear understanding of how theory is inextricably intertwined with the progress of technology.

"Unravelling the Mystery of the Atomic Nucleus" will be of interest to physicists and to historians of physics, as well as those interested development of science.

Processes involving randomly moving particles, which react either upon encounter or via distance-dependent reaction rates, are ubiquitous in nature. A few stray examples are recombination of ions or holes and electrons, excitation energy migration and quenching, trapping of particles by other species, coagulation, binding of ligands and proteins to specific sites, chemotaxis, catalytically-induced self-propulsion, polymerization, growth of dendrites or aggregates, or nuclei of a new phase.Several decades ago, it was recognized that the kinetic behavior in some systems with reactions and random transport is strongly affected by many factors, which were not taken into account in previous studies. These are, to name but a few, fluctuations in the spatial distributions of the reactants and fluctuations of the reactivity, some essentially many-particle phenomena, effects of anomalous diffusion, molecular crowding, as well as the internal geometry of the reaction bath. Within recent years, along with a growing interest in chemical processes ocurring in biological systems or cellular environments, numerous advances have been made and considerable knowledge has been acquired. These seminal contributions are, however, scattered among many journals and no attempt has been made so far to present a unified picture.This book presents a general overview of different contemporary facets of chemical kinetics in a variety of different environments. It includes 23 seminal works and reviews on different aspects of reaction processes in chemical, physical and biophysical systems, both theoretical and experimental.

This Springer Laboratory volume is a practical guide for scientists and students dealing with the measurement of mechanical properties of polymers at the nanoscale through AFM force-distance curves. In the first part of the book the reader will find a theoretical introduction about atomic force microscopy, focused on force-distance curves, and mechanical properties of polymers. The discussion of several practical issues concerning the acquisition and the interpretation of force-distance curves will help scientists starting to employ this technique. The second part of the book deals with the practical measurement of mechanical properties of polymers by means of AFM force-distance curves. Several "hands-on" examples are illustrated in a very detailed manner, with particular attention to the sample preparation, data analysis, and typical artefacts. This section gives a complete overview about the qualitative characterization and quantitative determination of the mechanical properties of homogeneous polymer samples, polymer brushes, polymer thin films, confined polymer samples, model blends and microstructured polymer blends through AFM force-distance curves. The book also introduces to new approaches and measurement techniques, like creep compliance and force modulation measurements, pointing out approximations, limitations and issues requiring further confirmation.

This book describes the rational design, development and application of nucleic acid amplification strategies for biosensing, bioimaging and biomedicine. It consists of fifteen chapters demonstrating the use of these strategies in various areas, including fluorescence techniques, Chemiluminescence biosensors, electrochemiluminescence biosensors, colorimetric assays, surface plasmon resonance technologies, electrochemical DNA sensors, photoelectrochemical biosensor, nanopore sensors, quartz crystal microbalance, fluorescence imaging, surface-enhanced Raman spectroscopy, in vitro and in vivo metal ions detection, theranostics and microdroplet chips. Offering a collection of reviews illustrating the latest advances in biochemical analysis and therapeutics, the book shares valuable insights into current challenges and future prospects, making it a valuable resource for a wide readership in the various fields of biosensing, bioimaging and biomedicine.

This book focuses on a variety of photochemical reaction processes in the crystalline state. The crystalline state reaction is a new category of solid state reaction, in which a reaction occurs with retention of the single crystal form. The whole reaction processes were observed directly by X-ray and neutron diffractions. In this book, not only the structures of metastable intermediates, such as radicals, carbenes, and nitrenes, but also the unstable species of photochromic compounds and photo-excited structures are shown with colored figures of the molecular structures, with more than 200 figures. The book is an indispensable resource not only for organic, inorganic and physical chemists but also for graduate students, as it furnishes more than 300 references.

This book provides a comprehensive review of both traditional and cutting-edge methodologies that are currently used in computational toxicology and specifically features its application in regulatory decision making. The authors from various government agencies such as FDA, NCATS and NIEHS industry, and academic institutes share their real-world experience and discuss most current practices in computational toxicology and potential applications in regulatory science. Among the topics covered are molecular modeling and molecular dynamics simulations, machine learning methods for toxicity analysis, network-based approaches for the assessment of drug toxicity and toxicogenomic analyses. Offering a valuable reference guide to computational toxicology and potential applications in regulatory science, this book will appeal to chemists, toxicologists, drug discovery and development researchers as well as to regulatory scientists, government reviewers and graduate students interested in this field.

The study of fluctuations in statistical physics has a long history, and a general theory is well established, connecting fluctuations to response properties of equilibrium systems. Remarkably, this framework fails as soon as some current is flowing across the system, driving it out of equilibrium. The presence of currents is quite common in nature and produces rich phenomena which are far from being included in a general framework. This thesis focuses on this general problem by studying different models such as granular materials and systems exhibiting anomalous diffusion and shows how the generalized response techniques can be successfully used to catch the relevant degrees of freedom that drive the systems out of equilibrium. This study paves the way to the use of the generalized fluctuation relations in an operative way, in order to extract information from a non-equilibrium system and to build the corresponding phenomenological theory.

The science and technology relating to nanostructures continues to receive significant attention for its applications to various fields including microelectronics, nanophotonics, and biotechnology. This book describes the basic quantum mechanical principles underlining this fast developing field. From the fundamental principles of quantum mechanics to nanomaterial properties, from device physics to research and development of new systems, this title is aimed at undergraduates, graduates, postgraduates, and researchers.

This textbook is the result of the enhancement of several courses on non-equilibrium statistics, stochastic processes, stochastic differential equations, anomalous diffusion and disorder. The target audience includes students of physics, mathematics, biology, chemistry, and engineering at undergraduate and graduate level with a grasp of the basic elements of mathematics and physics of the fourth year of a typical undergraduate course. The little-known physical and mathematical concepts are described in sections and specific exercises throughout the text, as well as in appendices. Physical-mathematical motivation is the main driving force for the development of this text. It presents the academic topics of probability theory and stochastic processes as well as new educational aspects in the presentation of non-equilibrium statistical theory and stochastic differential equations.. In particular it discusses the problem of irreversibility in that context and the dynamics of Fokker-Planck. An introduction on fluctuations around metastable and unstable points are given. It also describes relaxation theory of non-stationary Markov periodic in time systems. The theory of finite and infinite transport in disordered networks, with a discussion of the issue of anomalous diffusion is introduced. Further, it provides the basis for establishing the relationship between quantum aspects of the theory of linear response and the calculation of diffusion coefficients in amorphous systems.

This new volume of Modern Aspects of Electrochemistry reviews different methods for the production of metal powders including mechanical, chemical and electrochemical powders. Electrochemically produced metal powders are of high purity and they are extremely active during sintering. These powders find a wide-range of applications in automotive, aerospace, energy device and electronics industries.

"Polymeric and Nanostructured Macromolecules" presents the recent advances made in the synthesis, characterization, and applications of polymeric macromolecules.

This book provides an excellent overview of the recent breakthroughs in the science of macromolecules, with an emphasis on nanostructured macromolecules and the perspectives that these versatile materials offer to different fields such as optoelectronics and biotechnology.

Advanced undergraduate, graduate students and researchers alike will find the topics concerning physical and chemical properties of advanced macromolecular materials of great interest.

This book is the first to detail the chemical changes that occur in deforming materials subjected to unequal compressions. While thermodynamics provides, at the macroscopic level, an excellent means of understanding and predicting the behavior of materials in equilibrium and non-equilibrium states, much less is understood about nonhydrostatic stress and interdiffusion at the chemical level. Little is known, for example, about the chemistry of a state resulting from a cylinder of deforming material being more strongly compressed along its length than radially, a state of non-equilibrium that remains no matter how ideal the cylinder's condition in other respects. M. Brian Bayly here provides the outline of a comprehensive approach to gaining a simplified and unified understanding of such phenomena. The author's perspective differs from those commonly found in the technical literature in that he emphasizes two little-used equations that allow for a description and clarification of viscous deformation at the chemical level. Written at a level that will be accessible to many non-specialists, this book requires only a fundamental understanding of elementary mathematics, the nonhydrostatic stress state, and chemical potential. Geochemists, petrologists, structural geologists, and materials scientists will find Chemical Change in Deforming Materials interesting and useful.

"Fundamental Aspects of Plasma Chemical Physics - Thermodynamics" develops basic and advanced concepts of plasma thermodynamics from both classical and statistical points of view.

After a refreshment of classical thermodynamics applied to the dissociation and ionization regimes, the book invites the reader to discover the role of electronic excitation in affecting the properties of plasmas, a topic often overlooked by the thermal plasma community.

Particular attention is devoted to the problem of the divergence of the partition function of atomic species and the state-to-state approach for calculating the partition function of diatomic and polyatomic molecules. The limit of ideal gas approximation is also discussed, by introducing Debye-Huckel and virial corrections.

Throughout the book, worked examples are given in order to clarify concepts and mathematical approaches.

This book is a first of a series of three books to be published by the authors on fundamental aspects of plasma chemical physics. The next books will discuss transport and kinetics.

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Volume 15 in this series continues the voyage of discovery started almost a decade ago. Chapter 98 adds significantly to an evaluation of systematic, experimental low-temperature studies of the ambivalent behaviours of cerium (ferromagnetism, antiferromagnetism, spin glass, superconductivity etc.) which depend upon its environment in materials. The conclusions arrived at should provide new data against which the theory can be advanced. The next chapter provides a review of rare earth carbides, emphasizing the thermodynamics, phase diagrams, crystal structures and physical properties. The binary rare earth carbides present an exceptionally wide range of compositions and structures both as solids and gas-phase molecules. Complex carbides with additional metal and non-metal components also receive attention. Metal-rich halides (i.e. compounds with an X/R ratio <2) are the subject of the next chapter. The compounds are classified according to their structure and chemical bonding characteristics and their electrical and magnetic properties are also reviewed. Chapter 101 deals with the preparation, structure, chemical and physical properties of heavy-metal fluoride glasses. Large amounts of rare earths can be added into these, and they possess a great potential for optical applications in the mid-infrared range as fiber optic glasses for communication and transmission of information, optical wave guides, fiber lasers and sensors. The following chapter explores the chemical kinetics of solvent and ligand exchange in aqueous lanthanide solutions. A wealth of tabulated information on rate and equilibrium constants is provided in textual and tabular form. Chapter 103 considers the fundamentally important reactions of the lanthanide ions with water. These interactions are discussed for both solids and solutions. The hydrated species are considered in detail for the aqueous solution, revealing the consequences of the lanthanide series sequence. The concluding chapter reviews macrocyclic complexes formed by rare earth and dioxouranium ions as templates. Synthetic trends and reactivity are considered as well as potential uses of these intriguing wrap-around structures.

This book presents a comprehensive survey about conducting polymers and their hybrids with different materials. It highlights the topics pertinent to research and development in academia and in the industry. The book thus discusses the preparation and characterization of these materials, as well as materials properties and their processing. The current challenges in the field are addressed, and an outline on new and even futuristic approaches is given. "Conducting Polymer Hybrids" is concerned with a fascinating class of materials with the promise for wide-ranging applications, including energy generation and storage, supercapacitors, electronics, display technologies, sensing, environmental and biomedical applications. The book covers a large variety of systems: one-, two-, and three-dimenstional composites and hybrids, mixed at micro- and nanolevel.

Solid-state chemistry is becoming increasingly important as its relevance is recognized in subjects as diverse as superconductivity and heterogeneous catalysis. There has been a long-felt need for an authoritative account of the properties of inorganic solids and of the methods for studying them, written at a level suitable for final-year undergraduates studying the subject as a special topic or for first-year graduate students embarking on research in the field. This and the previous volume aim to fill that gap.

This second volume deals with the electronic structure and bonding in solids, and then focuses on several important classes of inorganic compounds.

How can we obtain tools able to process and exchange information at the molecular scale? In order to do this, it is necessary to activate and detect single molecules under controlled conditions. This book focuses on the generation of biologically-inspired molecular devices. These devices are based on the developments of new photonic tools able to activate and stimulate single molecule machines. Additionally, new light sensitive molecules can be selectively activated by photonic tools. These technological innovations will provide a way to control activation of single light-sensitive molecules, allowing the investigation of molecular computation in a biological environment.

"Adhesion of Cells, Viruses and Nanoparticles" describes the adhesion of cells, viruses and nanoparticles starting from the basic principles of adhesion science, familiar to postgraduates, and leading on to recent research results. The underlying theory is that of van der Waals forces acting between cells and substrates, embodied in the molecules lying at the surfaces, together with the geometry and elasticity of the materials involved. The first part describes the fundamental background to adhesion principles, including the phenomenology, the important equations and the modeling ideas. Then the mechanisms of adhesion are explored in the second part, including the elastic deformations of spheres and the importance of the energy of adhesion as measured in various tests. It is demonstrated that adhesion of cells is statistical and depends on Brownian movement and on the complex multiple contacts that can form as cells move around. Then, detailed chapters on cell adhesion, contact of viruses and aggregation of nanoparticles follow in Part 3. Finally, the last chapter looks to the future understanding of cell adhesion and points out some interesting directions of research, development and treatment of diseases related to these phenomena. This book is an ideal resource for researchers on adhesion molecules, receptors, cell and tissue culturing, virus infection, toxicity of nanoparticles and bioreactor fouling. It can also be used to support undergraduate and Masters level teaching courses. "This is a fascinating book and it is an invaluable resource for understanding particle-particle/surface adhesion at micro- and nano- scales. I intend to keep one for my future reference and highly recommend it to my students." (Prof. Zhibing Zhang, School of Chemical Engineering, University of Birmingham, UK)