Fifty years ago, a new approach to reaction kinetics began to emerge: one based on mathematical models of reaction kinetics, or formal reaction kinetics. Since then, there has been a rapid and accelerated development in both deterministic and stochastic kinetics, primarily because mathematicians studying differential equations and algebraic geometry have taken an interest in the nonlinear differential equations of kinetics, which are relatively simple, yet capable of depicting complex behavior such as oscillation, chaos, and pattern formation. The development of stochastic models was triggered by the fact that novel methods made it possible to measure molecules individually. Now it is high time to make the results of the last half-century available to a larger audience: students of chemistry, chemical engineering and biochemistry, not to mention applied mathematics. Based on recent papers, this book presents the most important concepts and results, together with a wealth of solved exercises. The book is accompanied by the authors' Mathematica package, ReactionKinetics, which helps both students and scholars in their everyday work, and which can be downloaded from http://extras.springer.com/ and also from the authors' websites. Further, the large set of unsolved problems provided may serve as a springboard for individual research.

This volume of Advances in Nutritional Research focuses on colostrum and milk as agents of defense against infection both for the suckling offspring and for the lactating mammary gland. The scope of the volume includes positive and negative influences of the consumption of mother's milk on the risk of infec tion, immunobiological roles of individual milk components, activities of milk and its components in promoting development of neonatal immunocompetence, the potential of milk and its components as therapeutic agents and as functional foods that support immune competence, and external influences that determine the immunological activity of milk. The volume is intended to provide a critical assessment of the limits of available information pertaining to humans and animals, together with authoritative comment regarding newer directions and unproven ideas. Part I provides a foundation for the volume. Readers unfamiliar with immunology will find, in Chapter 1, a selective outline of the anatomy and ontogeny of the mammalian immune system and of the types and regulation of immune defenses in mammals. Some emphasis is given to the place of the mammary gland within the common mucosal defense system, and to important species peculiarities in this regard. Chapter 2 is an authoritative and forward looking perspective on the development of knowledge pertaining to the immuno biology of milk as a fluid with both anti-infectious and anti-inflammatory roles. The chapter poses the provocative possibility of a tolerogenic role for milk."

The third edition of a classic text originally by Frost and Pearson, that describes the fundamental principles and established practices that apply to the study and the rates and mechanisms of homogeneous chemical reactions in the gas phase and in solution. Incorporates new advances made during the past 20 years in the study of individual molecular collisions by molecular-beam, laser applications to experimental kinetics, theoretical treatments of reaction rates and our understanding of the principles that govern rates of reaction in solution. Presents numerous examples of the deduction of mechanism from experiment, including intimate details such as stereochemistry and the dependence of reaction pathway on the exact energy states of reacting particles.

This book focuses on mixed crystals formed by molecular substances. The emphasis lies on the elucidation of the structural and thermodynamic properties of two-component systems. Thanks to the fact that the research efforts have been directed to a number of families of chemically coherent substances, rather than to a collection of isolated systems, the knowledge of mixed crystals has substantially increased. This is reflected by the discovery of several empirical relationships between thermodynamic properties, crystallographic properties, and also between thermodynamic mixing properties and exothermodynamic parameters, such as the structural mismatch between the components of the binary systems. This book is a benchmark for material scientists and a unique starting point for anyone interested in mixed crystals.

Every electrochemical source of electric current is composed of two electrodes with an electrolyte in between. Since storage capacity depends predominantly on the composition and design of the electrodes, most research and development efforts have been focused on them. Considerably less attention has been paid to the electrolyte, a battery's basic component. This book fills this gap and shines more light on the role of electrolytes in modern batteries. Today, limitations in lithium-ion batteries result from non-optimal properties of commercial electrolytes as well as scientific and engineering challenges related to novel electrolytes for improved lithium-ion as well as future post-lithium batteries.

The operation of everything in the universe needs a special "material"-energy. The earth is no exception. There are many kinds of energy sources on earth. But where does the earth's energy come from? The answer is that everything grows under the sun. Developing renewable energy is of strategic importance to achieve sustainable energy supply. Simulating natural photosynthesis is the ultimate goal of effi cient solar energy conversion. Photovoltaic technology has been widely used in industry and will be one of the major energy sources in the future. Developing new materials and structures, the photoelectric conversion effi ciency of solar cells will be improved day by day, and solar cells will attract more and more attention. This book presents principles of solar photovoltaic conversion, and introduces the physical and chemical processes involved. Mechanisms which affect solar cell performance are also discussed.

Heterophase polymerization is a century-old technology with a wide range of relevant industrial applications, including coatings, adhesives, rubbers, and many other specialized biomedical and high-performance materials. However, due to its multiscale complexity, it still remains a challenging research topic. It is a broad field covering all heterogeneous polymerization processes that result in polymer dispersions. Its technical realizations comprise emulsion polymerization, dispersion polymerization, suspension polymerization, miniemulsion polymerization, microemulsion polymerization, and others. This book is devoted to the science and technology of heterophase polymerization, considering it a generic term as well as an umbrella expression for all of its technical realizations. It presents, from a modern perspective, the basic concepts and principles required to understand the kinetics and thermodynamics of heterophase polymerization at the atomistic, molecular, macromolecular, supramolecular, colloidal, microscopic, mesoscopic, and macroscopic scales. It critically discusses the important physicochemical mechanisms involved in heterophase polymerization, such as nucleation, particle aggregation, mass transfer, swelling, spontaneous emulsification, and polymerization kinetics, along with the experimental evidences at hand.

Carbon Bonding and Structures: Advances in Physics and Chemistry handles the quantification, indexing, and interpretation of the physical and chemical behaviour of carbon in molecules, crystals, and nanosystems. This multi-author volume features cutting edge research and focuses on both inorganic and organic areas of carbon combinations and states modelled from quantum, physical, computational, mathematical, and topological perspectives. The volume begins by proposing the parabolically based energy of the pi-complexes employing the chemical reactivity concepts of electronegativity and chemical hardness, followed by predicting new quantum effects for stiff polymers at ultralow temperatures; it continues with a set of topological and quantum chemical studies dedicated to drifting defects in graphene, endohedral fullerenes, whilst describing the hexagonite synthesis of carbon nanotubes; graph theory is then described in detail with eigenvectors, followed by topological descriptors and statistical applications to organic molecules; advances in the concept of aromaticity - its local and structural forms for conjugated polycyclic systems, the novel coding and ordered rules for benzenoids, the detailed treatment of chirality and stereogenicity demonstrate the organic chemistry theme of the volume; the original mathematical studies dedicated to novel diamond structure and classical fullerenes; intriguing aspects on assessing the chemical hardness and the power of the equalization principle specific to electronegativity as well as their use in modelling the chemo-physical process of protonation are subsequently presented with applications to carbon compounds; the volume finishes with a 3-D minimal topological difference study of aliphatic amine toxicity on biological species and a review explaining how bioresponsive materials and drugs may be designed and synthesized to bridge carbon structures to those based on its analog, silicon. Carbon Bond

Grain boundaries are a main feature of crystalline materials. They play a key role in determining the properties of materials, especially when grain size decreases and even more so with the current improvements of processing tools and methods that allow us to control various elements in a polycrystal.
This book presents the theoretical basis of the study of grain boundaries and aims to open up new lines of research in this area. The treatment is light on mathematical approaches while emphasizing practical examples; the issues they raise are discussed with reference to theories. The general approach of the book has two main goals: to lead the reader from the concept of 'ideal' to 'real' grain boundaries;
to depart from established knowledge and address the opportunities emerging through "grain boundary engineering," the control of morphological and crystallographic features that affect material properties.

The book is divided in three parts:
I 'From interganular order to disorder' deals with the concept of the perfect grain boundary, at equilibrium, and questions the maintenance of its crystalline state.
II 'From the ideal to the real grain boundary' deals with the concept of the faulted grain boundary. It attempts to reveal the influence of the grain boundary structure on its defects, their formation and their accommodation.
III 'From free to constrained grain boundaries' is devoted to grain boundary ensembles starting from the triple junction (the elemental configuration) to real grain boundary networks in polycrystals

This part covers a new and topical development in the field. It presents for the first time an avenue for researchers working on macroscopic aspects, to approach the scale of description of grain boundaries.

Audience: graduate students, researchers and engineers in Materials Science and all those scientists pursuing grain boundary engineering in order to improvematerials performance.

Knowledge of thermodynamics is a necessary tool for describing and understanding the physical behavior of new polymers and polymer blends, for instance, compatibility of components, rheological properties, morphological features, and mechanical properties. This book summarizes in a fairly comprehensive manner the recent technical research accomplishments in the area of thermodynamics, characterizations, and applications of polymer blends. In the first chapter, an overview of thermodynamic behaviors of non-equilibrium polymers is discussed. In the consecutive chapters, different properties of polymer blends are discussed, including surface tension, transition, crystallization, morphology, and flow behaviors. Miscibility and molecular characterizations of polymer blends are also covered in this book. Applications to various systems are reviewed, and both experimental concerns and references are supplied. In this time when science has such a strong tendency for diversification, this book demonstrates the relevance of one's own activities with neighboring branches of activities. This book is unique in that the mathematics of the physics of polymers are minimized in order not to discourage the interest of a junior or senior undergraduate or new graduate student by an unnecessarily rigorous approach. However, book aims to widen the readers' general knowledge with a better understanding of the physics of polymers. Applications to various systems are reviewed, and both experimental concerns and references are supplied.

This book presents some fascinating phenomena associated with the remarkable features of high performance polymers and also provides an update on applications of modern polymers. It offers new research on structure-property relationships, synthesis, and purification, and potential applications of high performance polymers. The collection of topics in this book reflects the diversity of recent advances in modern polymers with a broad perspective that will be useful for scientists as well as for graduate students and engineers. The book helps to fill the gap between theory and practice. It explains the major concepts of new advances in high performance polymers and their applications in a friendly, easy-to-understand manner. The book opens with a presentation of classical models, moving on to increasingly more complex quantum mechanical and dynamical theories. Coverage and examples are drawn from modern polymers.

The aim of this book is to provide both a rigorous view and a more practical, understandable view of industrial chemistry and biochemical physics. This book is geared toward readers with both direct and lateral interest in the discipline. This volume is structured into different parts devoted to industrial chemistry and biochemical physics and their applications. Every section of the book has been expanded, where relevant, to take account of significant new discoveries and realizations of the importance of key concepts. Furthermore, emphases are placed on the underlying fundamentals and on acquisition of a broad and comprehensive grasp of the field as a whole. With contributions from experts from both the industry and academia, this book presents the latest developments in the identified areas. This book incorporates appropriate case studies, explanatory notes, and schematics for more clarity and better understanding. This new book: * Highlights some important areas of current interest in biochemical physics and chemical processes * Focuses on topics with more advanced methods * Emphasizes precise mathematical development and actual experimental details * Analyzes theories to formulate and prove the physicochemical principles * Provides an up-to-date and thorough exposition of the present state of the art of complex materials Topics include: * Photoelectrochemical properties of films of extra-coordinated tetrapyrrole compounds and their relationship with the quantum chemical parameters of the molecules * Bio-structural energy criteria of functional states in normal and pathological conditions * The ozone resistance of covulcanizates butadiene-nitrile rubbers with chlorinated ethylene-propylene-diene elastomers * Ways of regulation of release of medicinal substances from chitosan films * Environmental durability of powder polyester paint coatings * Ozone decomposition * Design and synthesis of its derivative with enhanced potential to scavenge hypochlorite radical scavenging capacity of n-(2-mercapto-2-methylpropionyl)-L-cysteine * Bacterial poly(3-hydroxybutyrate) as a biodegradable polymer for biomedicine * Designing, analysis, and industrial use of the dynamic spray scrubber * Magnetic properties of organic paramagnet * The effect of antioxidant drug mexidol on bioenergetic processes and nitric oxide formation in the animal tissues

Chemoinformatics: Advanced Control and Computational Techniques provides an important understanding of the main computational techniques used for processing chemical and biological structural data. The theoretical background to a number of techniques is introduced. General data analysis techniques and examination of the application techniques in the industy are presented, along with current practices and current research. The book also provides practical experience of commercially available systems and includes small-scale chemoinformatics-related projects. The book offers scope for academics, researchers, and engineering professionals. Chapters range from new methods to novel applications of existing methods and help provide an understanding of the material and/or structural behavior of new and advanced systems. It includes innovative chapters on the growth of educational, scientific, and industrial research activities among chemical engineers. It provides the latest coverage of chemical databases and the development of new computational methods and efficient algorithms for chemical software and chemical engineering.

This book focuses mainly on the recent developments of all types of theoretical, mathematical, and computational conceptions, as well as modelling and simulation of specific research themes covering all scientific and technical disciplines from chemistry, physics, and engineering to biology and medicine. The book contains timely reviews and research covering fundamental and applied research aspects in all disciplines of natural sciences, including their historical representations and philosophical perspectives. The book discusses the fact that the largest and smallest values of the fukui function and local softness do not necessarily correspond to the softness and hardness regions of the molecules such as porphyrins. The authors have adopted two popular calculation procedures for this venture. One is the very old Huckel molecular orbital calculation, and the other is one of best semi-empirical AM-1 procedures for such systems. Our finding is that neither the fukui functions nor the local softnesses can predict the preferred donor sites of porphyrins toward metal ions.

This book offers a new physical chemistry perspective on the control of lipid oxidation reactions by antioxidants, and it further explores the application of several oxidation inhibition strategies on food and biological systems. Divided in 3 parts, the book reviews the latest methods to control lipid oxidation, it examines lipid oxidation and inhibition in different food systems, and it finishes with an overview of the biological, health and nutritional effects of lipid oxidation. Chapters from expert contributors cover topics such as the use of magnetic methods to monitor lipid and protein oxidation, the kinetics and mechanisms of lipid oxidation and antioxidant inhibition reactions, interfacial chemistry, oxidative stress and its impact in human health, nutritional, sensory and physiological aspects of lipid oxidation, and new applications of plant and marine antioxidants. While focused on lipid peroxidation in food and biological systems, the chemistry elucidated in this book is applicable also to toxicology, medicine, plant physiology and pathology, and cosmetic industry. The book will therefore appeal to researchers in the lipid oxidation field covering food, biological and medical areas.

Quantum mechanics is a general theory of the motions, structures, properties, and behaviors of particles of atomic and subatomic dimensions. While quantum mechanics was created in the first third of the twentieth century by a handful of theoretical physicists working on a limited number of problems, it has further developed and is now applied by a great number of people working on a vast range of problems in wide areas of science and technology. Basic Molecular Quantum Mechanics introduces quantum mechanics by covering the fundamentals of quantum mechanics and some of its most important chemical applications: vibrational and rotational spectroscopy and electronic structure of atoms and molecules. Thoughtfully organized, the author builds up quantum mechanics systematically with each chapter preparing the student for the more advanced chapters and complex applications. Additional features include the following: This book presents rigorous and precise explanations of quantum mechanics and mathematical proofs. It contains qualitative discussions of key concepts with mathematics presented in the appendices. It provides problems and solutions at the end of each chapter to encourage understanding and application. This book is carefully written to emphasize its applications to chemistry and is a valuable resource for advanced undergraduates and beginning graduate students specializing in chemistry, in related fields such as chemical engineering and materials science, and in some areas of biology.

"Ionic liquids will never find application in industry", "I don't understand this fad for ionic liquids" and "there is no widespread interest in these systems" are just three of quotes from the reports of referees for research proposals that I have received over the years. I wonder what these people think today. There are currently at least nine large-scale industrial uses of ionic liquids, including, we now rec- nise, the production of ?-Caprolactam (a monomer for the production of nylon-6) [1]. There has been a steady increase in the interest in ionic liquids for well over a decade and last year the number of papers and patents including ionic liquids was counted in the thousands. This remarkable achievement has been built on the hard work and enthusiasm, first of a small band of devotees, but now of huge numbers of scientists all over the world who do not see themselves as specialists in ionic liquids. The ionic liquids field continues to develop at an incredible rate. No sooner do I think that I am on top of the literature than it turns out that a whole new area of work has emerged without me noticing. Things that were once supposedly impos- 1 sible in ionic liquids, such as measuring the H NMR of solutes, are now widely applicable (see Chapter 8). Hence, collected volumes such as this are very w- come.

Familiar combinations of ingredients and processing make the structures that give food its properties. For example in ice cream, the emulsifiers and proteins stabilize partly crystalline milk fat as an emulsion, freezing (crystallization) of some of the water gives the product its hardness and polysaccharide stabilizers keep it smooth. Why different recipes work as they do is largely governed by the rules of physical chemistry. This textbook introduces the physical chemistry essential to understanding the behavior of foods. Starting with the simplest model of molecules attracting and repelling one another while being moved by the randomizing effect of heat, the laws of thermodynamics are used to derive important properties of foods such as flavor binding and water activity. Most foods contain multiple phases and the same molecular model is used to understand phase diagrams, phase separation and the properties of surfaces. The remaining chapters focus on the formation and properties of specific structures in foods - crystals, polymers, dispersions and gels. Only a basic understanding of food science is needed, and no mathematics or chemistry beyond the introductory college courses is required. At all stages, examples from the primary literature are used to illustrate the text and to highlight the practical applications of physical chemistry in food science.

This volume, Engineering Technology and Industrial Chemistry with Applications, brings together innovative research, new concepts, and novel developments in the application of new tools for chemical and materials engineers. It provides a collection of innovative chapters on new scientific and industrial research from chemists and chemical engineers at several prestigious institutions. It looks at recent significant research and reports on new methodologies and important applications in the fields of chemical engineering as well as provides coverage of chemical databases, bringing together theory and practical applications. Highlighting theoretical foundations, real-world cases, and future directions, this authoritative reference source will be a valuable addition for researchers, practitioners, professionals, and students of chemistry material and chemical engineering.

One of the major areas of emphasis in the field of in chemical science and engineering technology in recent years has been interdisciplinary research, a trend that promises new insights and innovations rooted in cross-disciplinary collaboration. This volume is designed for stepping beyond traditional disciplinary boundaries and applying knowledge and insights from multiple fields. This book, Chemical Science and Engineering Technology: Perspectives on Interdisciplinary Research, provides a selection of chapters on interdisciplinary research in chemical science and engineering technology, taking a conceptual, and practical approach. The book includes case studies and supporting technologies and also explains the conceptual thinking behind current uses and potential uses not yet implemented. International experts with countless years of experience lend this volume credibility.

In this book, new developments based on conceptual density functional theory (CDFT) and its applications in chemistry are discussed. It also includes discussion of some applications in corrosion and conductivity and synthesis studies based on CDFT. The electronic structure principles-such as the electronegativity equalization principle, the hardness equalization principle, the electrophilicity equalization principle, and the nucleophilicity equalization principle, along studies based on these electronic structure principles-are broadly explained. In recent years some novel methodologies have been developed in the field of CDFT. These methodologies have been used to explore mutual relationships between the descriptors of CDFT, namely electronegativity, hardness, etc. The mutual relationship between the electronegativity and the hardness depend on the electronic configuration of the neutral atomic species. The volume attempts to cover almost all such methodology. Conceptual Density Function Theory and Its Application in the Chemical Domain will be an appropriate guide for research students as well as the supervisors in PhD programs. It will also be valuable resource for inorganic chemists, physical chemists, and quantum chemists. The reviews, research articles, short communications, etc., covered by this book will be appreciated by theoreticians as well as experimentalists.

Surface Chemistry of Carbon Capture: Climate Change Aspects provides comprehensive and up-to-date literature on carbon capture and storage (CCS) technology and delineates the surface chemistry of this process. Mankind is dependent on energy from gas, oil, coal, atomic energy, and various other sources. In all fossil fuel combustion processes, carbon dioxide (CO2) is produced (ca. 25 Gt/year). In the past few decades, we have observed a constant increase in CO2 content in the air (currently ca. 400 ppm [0.04%]). This book discusses the technology related to carbon (i.e., CO2) capture and sequestration (CCS) from fossil fuel energy plants, which is considered an important means of CO2 control. It also covers the adsorption/absorption processes of CO2 on solids and similar procedures to help address growing climate change concerns.

Thermodynamic data of polymer solutions are paramount for industrial and laboratory processes. These data also serve to understand the physical behavior of polymer solutions, study intermolecular interactions, and gain insights into the molecular nature of mixtures. Nearly a decade has passed since the release of a similar CRC Handbook and since then a large amount of new experimental data have been published, which is now compiled in this book. The CRC Handbook of Phase Equilibria and Thermodynamic Data of Polymer Solutions at Elevated Pressures features nearly 500 newly published references containing approximately 175 new vapor-liquid equilibrium data sets, 25 new liquid-liquid equilibrium data sets, 540 new high-pressure fluid phase equilibrium data sets, 60 new data sets describing PVT properties of polymers, and 20 new data sets with densities or excess volumes. The book is a valuable resource for researchers, specialists, and engineers working in the fields of polymer science, physical chemistry, chemical engineering, materials science, biological science and technology, and those developing computerized predictive packages.

Thermodynamic data form the basis for separation processes used in different fields of science and industry, from specialty chemicals to foods and pharmaceuticals. One obstacle to developing new production processes, products, or optimization is the lack, or inaccessibility, of experimental data related to phase equilibrium. Access More Than 1200 Data Sets, Including 810 Binary Systems, 325 Ternary Systems, and 25 Quaternary (or Higher) Systems The CRC Handbook of Liquid-Liquid Equilibrium Data of Polymer Solutions provides a thorough and up-to-date compilation of experimental liquid-liquid equilibrium (LLE) data and their original sources. Arranged in a consistent format, the handbook provides convenient access to cloud-point and coexistence data as well as upper and lower critical solution temperatures and important demixing data for each system. An Excellent Companion to the Author's Previous Collections of Thermodynamic Data! While the author's previous data compilations center around specific types of polymer systems, Wohlfharth'slatest work distinguishes itself by focusing instead on representing LLE data for all types of polymer systems in a single source.

A comprehensive compendium of published property estimation techniques for organic compounds.
For scientists and engineers seeking to estimate properties of compounds, this time-saving Handbook brings together in one compact volume a vast array of property estimation methods from more than 2,700 published sources for calculating these and many other properties of organic compounds:
* Density and molar volume
* Boiling point
* Refractive index and molar refraction
* Melting point
* Surface tension and parachor
* Water solubility
* Viscosity
*
* Air/water partition coefficient
* Vapor pressure
* Octanol/water partition coefficient
* Enthalpy of vaporization
* Soil/water partition coefficient.
The property estimation techniques detailed in the Handbook have been chosen for their broad applicability and practical value. The discussion of each estimating technique includes a clear exposition of the technique, including classes of compounds for which it is applicable and critical consideration of its strengths and weaknesses, as well as many worked-out examples demonstrating the technique.
The Handbook can be used on its own or in tandem with the Toolkit for Estimating Physicochemical Properties of Organic Compounds, an easy-to-use, Windows(r)-based program that puts rapid estimation routines and flexible search capabilities at the user's fingertips. The Toolkit CD features routines for estimating key properties of organic compounds and a database of property and other data for more than 24,000 organic compounds.
Also available: Toolkit for Estimating Physicochemical Properties of Organic Compounds ISBN 0-471-19492-1(CD-ROM)
* Toolkit for Estimating Physicochemical Properties of Organic Compounds ISBN 0-471-17263-4 (book/CD-ROM set)