This book describes atomic orbitals at a level suitable for undergraduates in chemistry. The mathematical treatment is brought to life by many illustrations rendered from mathematical functions (no artists' impressions), including three-dimensional plots of angular functions, showing orbital phase, and contour plots of the wavefunctions that result from orbital hybridisation.Orbitals extends the key fundamental quantum properties to many-electron atoms, linear combinations of atomic orbitals, simple molecules, delocalised systems and atomic spectroscopy. By focusing on simple model systems, use of analogies and avoiding group theory the results are obtained from initial postulates without the need for sophisticated mathematics.

Professionals recognize entropy-enthalpy compensation as an important factor in molecular recognition, lead design, water networks, and protein engineering. It can be experimentally studied by proper combinations of diverse spectroscopic approaches with isothermal titration calorimetry and is clearly related to molecular dynamics. So, how should we treat entropy-enthalpy compensation? Is it a stubborn hindrance that solely complicates the predictability of phenomena otherwise laid on the line by Mother Nature? How should we then deal with it? This book dwells on these posers. It combines two chapters written by globally recognized specialists. Chapter 1 deals with general issues and suggests a definite approach to how we may answer the posers. Chapter 2 shows how the approach outlined might be successfully applied in a rational design of enzymes. This might provide other interesting strategic perspectives in the general theoretical physical chemistry field.

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

An authoritative guide to the science, engineering, and technology of aerosol processing.

Aerosol Processing of Materials offers a comprehensive look at advanced materials processing by aerosol methods. This self-contained volume examines in-depth what it takes to generate powders and films with specialized characteristics using gas-phase processes. In three main parts, it addresses particle formation by intraparticle reaction, particle formation by gas-to-particle conversion, and film formation. All aspects of these subjects are considered, from the basic principles and chemistry of aerosols to processing methods and the characterization of materials. The text incorporates an impressive array of examples involving materials such as metals, metal oxides, and metal sulfides for application in pigments, ceramics superconductors, electronics, sensors, glass coatings, semiconductors, optical materials, and thick films.

Fully referenced, generously illustrated, and lucidly written by two of the foremost authorities on aerosol processing of materials, this landmark work emphasizes cutting-edge technologies, industrial applications, and the need to put existing research to practical use.

Aerosol Processing of Materials:

• Provides a basic and practical understanding of the relationships between reagents and processes used to generate a variety of materials in powder and film form
• Reviews the state-of-the-art of gas-phase nanoparticle technology, including synthesis of nanostructured materials and their properties
• Gives simple explanations of the aerosol dynamics in various systems for particle and film formation and the advantages and disadvantages of different systems for particle formation
• Features master tables listing all aerosol processing examples presented in the book
• Provides problem-solving strategies to avoid degradation or defects in materials produced by aerosol methods.

Aerosol Processing of Materials offers tremendous insight into current practices, research opportunities, and future trends in this evolving field. It is an invaluable resource for chemists and chemical and materials engineers in the fiber optics, electronics, semiconductor, thick film, wear resistance, refractory, automotive, paint and dye, plastics, ceramics, and sensor industries.

This volume covers a broad range of topics focusing on atoms, molecules, and clusters interacting in intense laser field, laser induced filamentation, and laser plasma interaction and application. The PUILS series delivers up-to-date reviews of progress in Ultrafast Intense Laser Science, a newly emerging interdisciplinary research field spanning atomic and molecular physics, molecular science, and optical science, which has been stimulated by the recent developments in ultrafast laser technologies. Each volume compiles peer-reviewed articles authored by researchers at the forefront of each their own subfields of UILS. Every chapter opens with an overview of the topics to be discussed, so that researchers unfamiliar to the subfield, as well as graduate students, can grasp the importance and attractions of the research topic at hand; these are followed by reports of cutting-edge discoveries.

Fabrication of Graphene from Camphor: Emerging Energy Applications provides a short review of recent discoveries in the field of graphene. Its specific focus is on the synthesis of graphene sheets by naturally available sources of carbon as solid precursors. It delves into three major issues in the field: * The low-cost fabrication process for the development of large-scale graphene using natural camphor as a solid source of carbon. * The fabrication of graphene-silicon and graphene-silicon nanowire arrays (SiNWAs) Schottky junction near-infrared photodetectors (NIRPDs). * The applications of graphene thin film for lithium-ion batteries.

A NATO Advanced Research Workshop on the "Mechanisms of Reactions of Organometallic Compounds with Surfaces" was held in St. Andrews, Scotland in June 1988. Many of the leading international researchers in this area were present at the workshop and all made oral presentations of their results. In addition, significant amounts of time were set aside for Round Table discussions, in which smaller groups considered the current status of mechanistic knowledge, identified areas of dispute or disagreement, and proposed experiments that need to be carried out to resolve such disputes so as to advance our understanding of this important research area. All the papers presented at the workshop are collected in this volume, together with summaries of the conclusions reached at the Round Table discussions. The workshop could not have taken place without financial support from NATO, and donations were also received from Associated Octel, Ltd., STC Ltd., and Epichem Ltd., for which the organisers are very grateful. The organisation of the meeting was greatly assisted by Mrs G. MacArthur and Mr L.R. Dunley of the Chemistry Department, St. Andrews University.

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 provides innovative chapters covering new methodologies and important applications in the fields of nanoscience and computational chemistry. The book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of nano and computational chemistry. Contributions range from new methods to novel applications of existing methods to help readers gain an understanding of the material and/or structural behavior of new and advanced systems. This book is a high quality tool for researchers, providing an overview of the field, explaining the basic underlying theory at a meaningful level, and giving numerous comparisons of different methods.

This volume presents the various categories of high performance materials and their composites and provides up-to-date synthesis details, properties, characterization, and applications for such systems to give readers and users better information to select the required material. The volume provides the following features: * Includes a wide range of high performance and engineering materials * Details the synthesis and properties of each of new materials * Presents practical industrial applications * Contains material written by some of the world's most well-known and respected experts in the field

Due to recent advancements in the development of numerical algorithms and computational hardware, computer simulations of biological membranes, often requiring use of substantial computational resources, are now reaching a mature stage. Since molecular processes in membranes occur on a multitude of spatial and time scales, molecular simulations of membranes can also serve as a testing ground for use of multi-scale simulation techniques. This book addresses some of the important issues related to understanding properties and behavior of model biological membranes and it Shows how simulations improve our understanding of biological membranes and makes connections with experimental results. Presents a careful discussion of the force fields used in the membrane simulations including detailed all-atom fields and coarse-grained fields. Presents a continuum description of membranes. Discusses a variety of issues such as influence of membrane surfaces on properties of water, interaction between membranes across water, nanoparticle permeation across the membrane, action of anesthetics and creation of inhomogeneous regions in membranes. Discusses important methodological issues when using simulations to examine phenomena such as pore creation and permeation across membranes. Discusses progress recently achieved in modeling bacterial membranes. It will be a valuable resource for graduate students, researchers and instructors in biochemistry, biophysics, pharmacology, physiology, and computational biology.

Carbon Dioxide Reduction through Advanced Conversion and Utilization Technologies covers fundamentals, advanced conversion technologies, economic feasibility analysis, and future research directions in the field of CO2 conversion and utilization. This book emphasizes principles of various conversion technologies for CO2 reduction such as enzymatic conversion, mineralization, thermochemical, photochemical, and electrochemical processes. It addresses materials, components, assembly and manufacturing, degradation mechanisms, challenges, and development strategies. Applications of conversion technologies for CO2 reduction to produce useful fuels and chemicals in energy and industrial systems are discussed as solutions to reduce greenhouse effects and energy shortages. Particularly, the advanced materials and technology of high temperature co-electrolysis of H2O and CO2 to produce sustainable fuels using solid oxide cells (SOCs) are reviewed and the introduction, fundamentals, and some significant topics regarding this CO2 conversion process are discussed. This book provides a comprehensive and clear picture of advanced technologies in CO2 conversion and utilization. Written in a clear and detailed manner, it is suitable for students as well as industry professionals, researchers, and academics.

The main objective of the book is to highlight the modeling of magnetic particles with different shapes and magnetic properties, to provide graduate students and young researchers information on the theoretical aspects and actual techniques for the treatment of magnetic particles in particle-based simulations. In simulation, we focus on the Monte Carlo, molecular dynamics, Brownian dynamics, lattice Boltzmann and stochastic rotation dynamics (multi-particle collision dynamics) methods. The latter two simulation methods can simulate both the particle motion and the ambient flow field simultaneously. In general, specialized knowledge can only be obtained in an effective manner under the supervision of an expert. The present book is written to play such a role for readers who wish to develop the skill of modeling magnetic particles and develop a computer simulation program using their own ability. This book is therefore a self-learning book for graduate students and young researchers. Armed with this knowledge, readers are expected to be able to sufficiently enhance their skill for tackling any challenging problems they may encounter in future.

The use of conducting polymers for the anticorrosion protection of metals has attracted great interest during the last 30 years. The design and development of conducting polymers-based coating systems with commercial viability is expected to be advanced by applying nanotechnology and has received substantial attention recently. This book begins with corrosion fundamentals and ends with an emphasis on developments made in conducting polymer science and technology using nanotechnology. Additionally, it gives a detailed account of experimental methods of corrosion testing.

The Properties of Solvents Yizhak Marcus Hebrew University of Jerusalem, Israel The Properties of Solvents contains extensively annotated tables of physical, chemical and related properties for over 250 solvents. Factual knowledge of solvent effects on solvation, solubility, chemical equilibria and reaction rate is important for theoretical and practical applications. This volume will enable chemists to choose solvents rationally, taking into account solvent properties and the expected results. The Properties of Solvents is a valuable source of information for all who are interested in the behaviour of solutions. These include solution, organic, analytical and physical chemists. Contents
* Introduction
* Solvent effects
* Physical properties
* Chemical properties
* Applications
The Wiley Series in Solution Chemistry fills the increasing need to present authoritative, comprehensive and fully up-to-date accounts of the many aspects of solution chemistry. Internationally recognized experts from research or teaching institutions in various countries are invited to contribute to the series.

Introduction to Epitaxy provides the essential information for a comprehensive upper-level graduate course treating the crystalline growth of semiconductor heterostructures. Heteroepitaxy represents the basis of advanced electronic and optoelectronic devices today and is considered one of the top fields in materials research. The book covers the structural and electronic properties of strained epitaxial layers, the thermodynamics and kinetics of layer growth, and the description of the major growth techniques metalorganic vapor phase epitaxy, molecular beam epitaxy and liquid phase epitaxy. Cubic semiconductors, strain relaxation by misfit dislocations, strain and confinement effects on electronic states, surface structures and processes during nucleation and growth are treated in detail. The Introduction to Epitaxy requires only little knowledge on solid-state physics. Students of natural sciences, materials science and electrical engineering as well as their lecturers benefit from elementary introductions to theory and practice of epitaxial growth, supported by pertinent references and over 200 detailed illustrations.

This is a self-contained advanced review volume. It provides a step by step derivation of the consistent theoretical picture of hybrid modeling methods and a thorough analysis of the concepts and current practical methods of hybrid modeling based on this theory.The book presents its material sequentially, paying attention both to the physical soundness of the approximations used and to the mathematical rigor necessary for the practical development of the robust modeling code. Historical remarks are given when it is necessary to put the current work in a more general context and to establish a relationship with other areas of computational chemistry.

Plasma Physics and Engineering presents basic and applied knowledge on modern plasma physics, plasma chemistry, and plasma engineering for senior undergraduate and graduate students as well as for scientists and engineers working in academia; research labs; and industry with plasmas, laser and, combustion systems. This is a unique book providing a clear fundamental introduction to all aspects of modern plasma science, describing all electric discharges applied today from vacuum to atmospheric pressure and higher, from thermal plasma sources to essentially cold non-equilibrium discharges. A solutions manual is available for adopting professors, which is helpful in relevant university courses. Provides a lucid introduction to virtually all aspects of modern plasma science and technology Contains an extensive database on plasma kinetics and thermodynamics Includes many helpful numerical formulas for practical calculations, as well as numerous problems and concepts This revised edition includes new material on atmospheric pressure discharges, micro discharges, and different types of discharges in liquids Prof. Alexander Fridman is Nyheim Chair Professor of Drexel University and Director of C. & J. Nyheim Plasma Institute. His research focuses on plasma approaches to biology and medicine, to material treatment, fuel conversion, and environmental control. Prof. Fridman has almost 50 years of plasma research in national laboratories and universities of Russia, France, and the United States. He has published 8 books, and received numerous honors for his work, including Stanley Kaplan Distinguished Professorship in Chemical Kinetics and Energy Systems, George Soros Distinguished Professorship in Physics, the State Prize of the USSR, Plasma Medicine Award, Kurchatov Prize, Reactive Plasma Award, and Plasma Chemistry Award. Prof. Lawrence A. Kennedy is Dean of Engineering Emeritus and Professor of Mechanical Engineering Emeritus at the University of Illinois at Chicago and Professor of Mechanical Engineering Emeritus at the Ohio State University. His research focuses on chemically reacting flows and plasma processes. He is the author of more than 300 archival publications and 2 books, the editor of three monographs and served as Editor-in-Chief of the International Journal of Experimental Methods in Thermal and Fluid Science. Professor Kennedy was the Ralph W. Kurtz Distinguished Professor of Mechanical Engineering at OSU and the Stanley Kaplan University Scholar in Plasma Physics at UIC. Prof. Kennedy is also the recipient of numerous awards such as the American Society of Mechanical Engineers Heat Transfer Memorial Award (2008), and the Ralph Coats Roe Award from ASEE (1993). He is a Fellow of the American Society of Mechanical Engineers, the American Physical Society, the American Institute of Aeronautics and Astronautics and the American Association for the Advancement of Science.

Pressure is one of the essential thermodynamic variables that, due to some former experimental difficulties, was long known as the forgotten variable. But this has changed over the last decade. This book includes the most essential first experiments from the 1960s and reviews the progress made in understanding glass formation with the application of pressure in the last ten years. The systems include amorphous polymers and glass-forming liquids, polypeptides and polymers blends. The thermodynamics of these systems, the relation of the structural relaxation to the chemical specificity, and their present and future potential applications are discussed in detail. The book provides (a) an overview of systems exhibiting glassy behavior in relation to their molecular structure and provides readers with the current state of knowledge on the liquid-to-glass transformation, (b) emphasizes the relation between thermodynamic state and dynamic response and (c) shows that the information on the pressure effects on dynamics can be employed in the design of materials for particular applications. It is meant to serve as an advanced introductory book for scientists and graduate students working or planning to work with dynamics. Several scientific papers dealing with the effects of pressure on dynamics have appeared in leading journals in the fields of physics in the last ten years. The book provides researchers and students new to the field with an overview of the knowledge that has been gained in a coherent and comprehensive way.

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With contributions from experts from both academia and industry, this book provides up-to-date reviews and promising approaches for corrosion control of metals and alloys via sustainable biopolymers and carbon nanomaterials coatings, focusing on the wonder material "graphene" which is more solid than steel. This book delivers essential information for improving the environmental and economic viability of current coating technologies. It is also a valuable reference for those who are interested in corrosion science and corrosion protection including professionals from the industry as well as academia.

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 exceptional quality of previous editions has been built upon to make the twelfth edition of Atkins' Physical Chemistry even more closely suited to the needs of both lecturers and students. The writing style has been refreshed in collaboration with current students of physical chemistry in order to retain the clarity for which the book is recognised while mirroring the way you read and engage with information. The new edition is now available as an enhanced e-book, which offers you a richer, more dynamic learning experience. It does this by incorporating digital enhancements that are carefully curated and thoughtfully inserted at meaningful points to enhance the learning experience. In addition, it offers formative auto-graded assessment materials to provide you with regular opportunities to test their understanding. Digital enhancements introduced for the new edition include dynamic graphs, which you can interact with to explore how the manipulation of variables affects the results of the graphs; self-check questions at the end of every Topic; video content from physical chemists; and video tutorials to accompany each Focus, which dig deeper into the key equations introduced. There is also a new foundational prologue entitled 'Energy: A First Look', which summarizes key concepts that are best kept in mind right from the beginning of your physical chemistry studies. The coupling of the broad coverage of the subject with a structure and use of pedagogy that is even more innovative will ensure Atkins' Physical Chemistry remains the textbook of choice for studying physical chemistry.

This textbook provides a comprehensive, yet accessible, introduction to statistical mechanics. Crafted and class-tested over many years of teaching, it carefully guides advanced undergraduate and graduate students who are encountering statistical mechanics for the first time through this - sometimes - intimidating subject. The book provides a strong foundation in thermodynamics and the ensemble formalism of statistical mechanics. An introductory chapter on probability theory is included. Applications include degenerate Fermi systems, Bose-Einstein condensation, cavity radiation, phase transitions, and critical phenomena. The book concludes with a treatment of scaling theories and the renormalization group. In addition, it provides clear descriptions of how to understand the foundational mathematics and physics involved and includes exciting case studies of modern applications of the subject in physics and wider interdisciplinary areas. Key Features: Presents the subject in a clear and entertaining style which enables the author to take a sophisticated approach whilst remaining accessible Contains contents that have been carefully reviewed with a substantial panel to ensure that coverage is appropriate for a wide range of courses, worldwide Accompanied by volumes on thermodynamics and non-equilibrium statistical mechanics, which can be used in conjunction with this book, on courses which cover both thermodynamics and statistical mechanics

This book presents the theory of soft matter to students at the advanced undergraduate or beginning graduate level. It provides a basic introduction to theoretical physics as applied to soft matter, explaining the concepts of symmetry, broken symmetry, and order parameters; phases and phase transitions; mean-field theory; and the mathematics of variational calculus and tensors. It is written in an informal, conversational style, which is accessible to students from a diverse range of backgrounds. The book begins with a simple "toy model" to demonstrate the physical significance of free energy. It then introduces two standard theories of phase transitions-the Ising model for ferromagnetism and van der Waals theory of gases and liquids-and uses them to illustrate principles of statistical mechanics. From those examples, it moves on to discuss order, disorder, and broken symmetry in many states of matter, and to explain the theoretical methods that are used to model the phenomena. It concludes with a chapter on liquid crystals, which brings together all of these physical and mathematical concepts. The book is accompanied online by a set of "interactive figures"-some allow readers to change parameters and see what happens to a graph, some allow readers to rotate a plot or other graphics in 3D, and some do both. These interactive figures help students to develop their intuition for the physical meaning of equations. This book will prepare advanced undergraduate or early graduate students to go into more advanced theoretical studies. It will also equip students going into experimental soft matter science to be fully conversant with the theoretical aspects and have effective collaborations with theorists.

Modern Electrosynthetic Methods in Organic Chemistry introduces readers to new ways of making materials and compounds using low waste processes, employing energy from electricity rather than chemical reagents. It explores electro-organic synthesis, which offers clean synthesis tools as well as unusual reaction intermediates and reaction types. Despite applications previously remaining niche, due to the advent of microfluidic reactors this book is a must-read for industry professionals and academics alike. It targets specific areas of recent progress and development in the field that show high novelty and potential, at the same time inviting a wider range of applications in green and clean technology. Key Features: Offers clean synthesis tools Targets areas of recent progress and development Addresses the most recent advances in the field