Discusses advances in the computation of phase diagrams Offers expanded treatment of eutectic solidification with practical examples and new coverage of ternary phase diagrams, covering the concepts of orthoequilibrium and paraequilibrium Updates discussion of bainite transformation to reflect current opinions Includes new case studies covering grain refiners in aluminium alloys, additive manufacturing, thin film growth, important aerospace Al-Li alloys, and quenched and partitioned steels, and metastable austenitic stainless steels. Each chapter now begins with a list of key concepts, includes simpler illustrative exercises with relevance to real practical applications, and references to scientific publications updated to reflect experimental and computational advances in metallurgy

The Boundary Flux Handbook summarizes over 100 chemical compounds (single compounds, in mixed solution) and different feed streams from industry (complex streams exiting the agricultural, biological, pharmaceutical, food, dye, textile, and other industries) and the respective critical and threshold fluxes (or boundary flux), together with data on rejection and permeabilities. It gives the reader valuable data to quickly estimate membrane performances in respect to productivity, selectivity, and longevity, and aids in estimating capital and operating costs of membrane processes during the plant design operations. The book is valuable for scientific researchers and chemical engineers working with membrane technology as a reference for lab work, membrane process design, and control. For each specific feedstock, only the best performing membranes are listed. At least one commercial membrane module and a maximum of four different choices are reported, in order to assure easy integration of the proposed membranes into the systems by contacting the relevant commercial partner, and to define the best choice of the pretreatment steps, permitting quick membrane process optimization or revamping operations.

"Intelligent Coatings for Corrosion Control" covers the most current and comprehensive information on the emerging field of intelligent coatings. The book begins with a fundamental discussion of corrosion and corrosion protection through coatings, setting the stage for deeper discussion of the various types of smart coatings currently in use and in development, outlining their methods of synthesis and characterization, and their applications in a variety of corrosion settings. Further chapters provide insight into the ongoing research, current trends, and technical challenges in this rapidly progressing field.
Reviews fundamentals of corrosion and coatings for corrosion control before delving into a discussion of intelligent coatings useful for researchers and grad students new to the subjectCovers the most current developments in intelligent coatings for corrosion control as presented by top researchers in the fieldIncludes many examples of current and potential applications of smart coatings to a variety of corrosion problems"

Knowledge of the basic interactions that take place between geological materials and different substances is the first step in understanding the effects of adsorption and other interfacial processes on the quality of rocks and soils, and on driving these processes towards a beneficial or neutral result. Interfacial Chemistry of Rocks and Soils examines the different processes at solid and liquid interfaces of soil and rock, presenting a complete analysis that emphasizes the importance of chemical species on these interactions. This Second Edition features novel results in the field and expanded coverage of the kinetics of interfacial processes. New content includes models of heterogeneous isotope exchange, sorption isotherms for heterovalent cation exchange, as well as sorption of anions by chemically modified clays. Summarizing the results and knowledge of the authors' research in this field over several decades, this volume: Explores the individual components of the studied systems: the solid, the solution, and the interface Discusses the characteristics and thermodynamics of the interface Profiles the most important analytical methods in the study of interfacial processes Demonstrates transformations initiated by interfacial processes Outlines avenues of treatment that may solve geological, soil science, and environmental problems Drawn chiefly from the authors' years of research at the Imre Lajos Isotope Laboratory in the Department of Physical Chemistry at the University of Debrecen in Hungary, this book discusses chemical reactions on the surfaces/interfaces of soils and rocks; examines the role of these processes in environmental, colloid and geochemistry; and explores the effects on agricultural, environmental and industrial applications.

This book describes medical applications of photochemistry. In the first part, a general introduction to photochemistry and related phototechnologies is provided. In the second part, photochemistry-based medical applications for diagnostics (biochips and bioimaging) and therapeutics (biomaterials for artificial organs, medical adhesives, dental materials, drug-delivery systems, tissue engineering, and photodynamic therapy) are described, with examples of recent research. The year 2015 is the International Year of Light and Light-Based Technologies. Light plays a vital role in our daily lives and is important in many interdisciplinary scientific fields in the twenty-first century. Light-based concepts have revolutionized medicine, including areas such as oncology, molecular biology, and surgery. Although photochemistry has contributed significantly to medicine directly and through photochemical fabrication of biomaterials, a book giving a comprehensive overview of recent progress has not been published until now. The aim of this book is to highlight the contributions of photochemistry in interdisciplinary fields of chemistry and medical engineering. This book will be useful for chemists who are interested in medical applications of photochemistry and engineers who are eager to learn the principles of photochemistry to enable its use in practical applications.

Volume 1 of Formulation Science and Technology is a survey of the theory of formulations in a variety of fields, as well as their rheological characterization. It offers in-depth explanations for research scientists, universities, and industry practitioners looking for a complete understanding of how different formulations behave and how to influence their performance.

This book is a new edition of a classic text on experimental methods and instruments in surface science. It offers practical insight useful to chemists, physicists, and materials scientists working in experimental surface science. This enlarged second edition contains almost 300 descriptions of experimental methods. The more than 50 active areas with individual scientific and measurement concepts and activities relevant to each area are presented in this book. The key areas covered are: Vacuum System Technology, Mechanical Fabrication Techniques, Measurement Methods, Thermal Control, Delivery of Adsorbates to Surfaces, UHV Windows, Surface Preparation Methods, High Area Solids, Safety. The book is written for researchers and graduate students.

Low-dimensional magnetism physics involves the search for new magnetic compounds and improving their characteristics to meet the needs of innovative technologies. A comprehensive overview of key materials, their formulation data and characteristics are detailed by the author. Key selling features: Explores dominant mechanisms of magnetic interaction to determine the parameters of exchange interactions in new magnetic materials. Describes how magnetism and superconductivity not only compete, but also "help" each other. Details characteristics of key materials in the magnetic subsystem. Results of several internationally renowned research groups are included and cited. Suitable for a wide range of readers in physics, materials science, and chemistry interested in the problems of the structure of matter.

This book is devoted to the problems of oxidation chemical reactions and addresses bimodal reaction sequences. Chemical reactions of oxidation, occurring under certain conditions and in multicomponent systems are complex processes. The process of the oxidation essentially changes in the presence and contact of the solid substances with reactants. The role of solid substances and the appearance of this phenomenon in oxidation reaction are discussed. The reader will understand the "driving forces" of this phenomenon and apply it in practice. Written for chemists, physicists, biologists and engineers working in the domain of oxidation reactions. Key Selling Features: Covers the historical background, modern state of the art, and perspectives in investigations of the coupling between heterogeneous and homogeneous reactions Discusses the feasible pathways of the coupling of heterogeneous and homogeneous reactions in oxidation in man-made and natural chemical systems Addresses the abundance, peculiarities and mechanisms of the bimodal reaction sequences in oxidation with dioxygen in recent decades Discusses the existence of the bimodal reaction sequences in chemical systems investigations in atmospheric chemistry and heterogeneous photocatalysis Presented in a simple concise style, accessible for both specialists and non-specialists

The primary goal of nanotechnology is to achieve nanoscale materials and devices with atomic precision. Toward this goal, breakthroughs have recently been made in the solution-phase synthesis and applications of atomically precise nanoclusters. This book presents the exciting progress in this new research field. The chapters are contributed by leading experts of the field and cover the synthetic methods, atomic structures, electronic and optical properties, and catalytic applications of noble metal nanoclusters. Such new nanocluster materials offer exciting opportunities for chemists and physicists to understand the fundamental science of nanoclusters, especially the atomic-level structure-property correlation and design of new materials, as well as for developing a range of applications including catalysis, biomedicine, sensing, imaging, optics, and energy conversion. The book will be of interest to readers and researchers in nanotechnology, nanochemistry, catalysis, and computational chemistry, as well as practitioners in industry R&D for new materials. It is written to be accessible to undergraduate and graduate students and, therefore, is an excellent teaching material.

This thesis presents a highly innovative study of the ultrafast structural and vibrational dynamics of hydrated phospholipids, the basic constituents of cell membranes. As a novel approach to the water-phospholipid interface, the author studies phosphate vibrations using the most advanced methods of nonlinear vibrational spectroscopy, including femtosecond two-dimensional infrared spectroscopy. He shows for the first time that the structure of interfacial water undergoes very limited fluctuations on a 300 fs time scale and that the lifetimes of hydrogen bonds with the phospholipid are typically longer than 10 ps. Such properties originate from the steric hindrance of water fluctuations at the interface and the orienting action of strong electric fields from the phospholipid head group dipoles. In an extensive series of additional experiments, the vibrational lifetimes of the different vibrations and the processes of energy dissipation are elucidated in detail.

Stresses the Potential Applications of Biosurfactants in Various Industries Environmental concerns and a demand for sustainable chemical production have become important issues in recent years. As a result, microbial biosurfactant-producing systems are gaining momentum as potential replacements for chemical surfactants. Biosurfactants: Production and Utilization-Processes, Technologies, and Economics explores the production, utilization, and industrial/economic use of biosurfactants in modern biotechnology. This book represents comprehensive material developed by contemporary experts in the field. Focusing on research and developments within the last 20 years, it highlights relevant changes in the industry. It provides a detailed account of the current applications of biosurfactants, considers the potential for further environmental, biological, and industrial applications, and concentrates on surfactants and organisms with possibilities for future use. Emphasizes Process Scale-Up and Commercialization Factoring in the industrial application of biosurfactant production based on renewable resources, the book determines how biosurfactants can enhance or replace the properties of chemically synthesized surface-active agents. It discusses moving beyond the laboratory scale of research and development and on to the industrial scale of commercial interest. The book consists of 17 chapters and features expert authors discussing topics that include: Understanding the regulatory processes controlling the production of biosurfactants Strategies for feasible commercial biosurfactant production Examples of cost analysis based on published information The viability of industrial applications in food, cosmetics, and pharmaceuticals Patents for future trends Biosurfactants: Production and Utilization-Processes, Technologies, and Economics contains special sections devoted to the overview and evaluation of specific patents relating to biosurfactants, and methods for production of biosurfactants on a laboratory and industrial/commercial scale. It also presents novel and proven applications for biosurfactants from a number of biotechnology laboratories and research facilities around the world. In addition, it introduces the reader to a variety of real-world industry techniques readily applicable for practical use.

Cooperative and synergistic chemical events have attracted significant attention from many researchers engaged in organic chemistry, inorganic chemistry, biological chemistry, polymer chemistry, medicinal chemistry, and other related materials sciences. Synergistic supramolecular systems could be developed to amplify the functions and integration of molecular devices in ways that cannot be achieved by conventional single molecules. This book introduces basic concepts and examples of supramolecular chemistry in terms of cooperation and synergy, and it surveys recent progress in this field.

The field of electrochemistry is exploring beyond its basic principles to innovation. New Technologies for Electrochemical Applications presents advancements in electrochemical processes, materials, and technology for electrochemical power sources such as batteries, supercapacitors, fuel cells, hydrogen storage and solar cells. It also examines various environmental applications such as photo electrochemistry, photosynthesis, and coating. Organized to give readers an overview of the current field in electrochemical applications, this book features a historical timeline of advancements and chapters devoted to the topics of organic material and conducting polymers for electrochemical purposes. Established experts in the field detail state-of-the-art materials in biosensors, immunosensors, and electrochemical DNA. This edited reference is a valuable resource for graduate and post-graduate students, and researchers in disciplines such as chemistry, physics, electrical engineering and materials science.

Nanostructured electrode materials have exhibited unrivaled electrochemical properties in creating elite supercapacitors. Morphology Design Paradigm for Supercapacitors presents the latest advances in the improvement of supercapacitors, a result of the incorporation of nanomaterials into the design - from zero-dimensional to three-dimensional, and microporous to mesoporous. The book includes a comprehensive description of capacitive practices at the levels of sub-atomic and nanoscales. These have the ability to enhance device performance for an extensive assortment of potential applications, including consumer electronics, wearable gadgets, hybrid electric vehicles, stationary and industrial frameworks. Key Features: Provides readers with a clear understanding of the implementation of these materials as electrodes in electrochemical supercapacitors. Covers recent material designs and an extensive scope of electrode materials such as 0D to 3D. Explores recent nanostructured-system material designs that have been created and tested in supercapacitor configurations. Considers microporous to mesoporous supercapacitor electrode materials. Features the impact of nanostructures on the properties of supercapacitors, including specific capacitance, cycle stability, and rate capability.

Among electrode materials, inorganic materials have received vast consideration owing to their redox chemistry, chemical stability, high electrochemical performance, and high-power applications. These exceptional properties enable inorganic-based materials to find application in high-performance energy conversion and storage. The current advances in nanotechnology have uncovered novel inorganic materials by various strategies and their different morphological features may serve as a rule for future supercapacitor electrode design for efficient supercapacitor performance. Inorganic Nanomaterials for Supercapacitor Design depicts the latest advances in inorganic nanomaterials for supercapacitor energy storage devices. Key Features: ? Provides an overview on the supercapacitor application of inorganic-based materials. ? Describes the fundamental aspects, key factors, advantages, and challenges of inorganic supercapacitors. ? Presents up-to-date coverage of the large, rapidly growing, and complex literature on inorganic supercapacitors. ? Surveys current applications in supercapacitor energy storage. ? Explores the new aspects of inorganic materials and next-generation supercapacitor systems.

While modern computational methods can provide us with the wave function of a molecule in numerical form, most computer programs lack the sophisticated tools needed to extract chemical concepts from these wave functions. Saving researchers vast time and potential confusion, this volume collects and organizes those validated tools currently scattered throughout the literature and details their application. It provides immediate access for those needing to calculate such critical factors as bond order and valence indices, and atomic and diatomic contributions to molecular energy. Supporting material is available for download from the authors' continually updated website.

From March 30th to April 3rd, 1992, a NATO Advanced Research workshop entitled "Time Dependent Quantum Molecular Dynamics: Theory and Experiment" was held at Snowbird, Utah. The organizing committee consisted of J. BROECKHOVE (Antwerp, Belgium), L. CEDERBAUM (Heidelberg, Germany), L. LATHOUWERS (Antwerp, Belgium), N. OHRN (Gainesville, Florida) and J. SIMONS (Salt Lake City, Utah). Fifty-two participants from eleven different countries attended the meeting at which thirty-three talks and one poster session were held. Twenty-eight participants submitted contributions to the proceedings of the meeting, which are reproduced in this volume. The workshop brought together experts in different areas 0 f molecular quantum dynamics, all adhering to the time dependent approach. The aim was to discuss and compare methods and applications. The ~amiliarityo~ the aUdience with the concepts o~ time dependent approaches greatly facilitated topical discussions and probing towards new applications. A broad area of subject matter was covered including time resolved laser chemistry, intramolecular dynamics, photodissociation dynamics, reactive and inelastic collisions as well as new time dependent methodologies. This diversity in applications is reflected in the contributions included in this volume .

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.

Renewable energies have become an attractive option to overcome the energy demands in sustainable and affordable ways. It has been estimated that one-third of the total renewable energies would be generated from photovoltaics (PVs). A solar or PV cell is a device that directly converts sunlight into electricity by taking benefit of the photoelectric effect. In the third-generation solar PVs, dye-sensitized solar cells (DSSCs) are believed to be the most promising and have attracted wide attention. The optimization of a DSSC is focused on four main components: (i) metal oxide semiconductor, (ii) photosensitizer, (iii) redox couple electrolyte, and (iv) counter electrode. Among these, the counter electrode undertakes three functions: (i) as a catalyst, (ii) as a positive electrode of primary cells, and (iii) as a mirror. To obey these functions, the electrode material should have high catalytic activity, high conductivity, high reflectivity, high surface area, and electrochemical and mechanical stability. To improve the performance of DSSCs, many scientists have developed new counter electrodes made of platinum, carbon materials, transition metals, conductive polymers, and composites. This book converses the various aspects of materials for the fabrication of counter electrodes especially for the DSSCs.

This volume reflects the huge breadth and diversity in research and the application of industrial and engineering chemistry and cheminformatics. The book presents cutting-edge research developments and new insights that emphasize the vibrancy of industrial and engineering chemistry and cheminformatics today. The first section of the book focuses on new insights in engineering chemistry while the second part looks at the promising future and novel approaches in chemical informatics, which has vast implications for industrial and pharmaceutical applications. Several chapters examine various industrial processes for emerging materials and determine practical use under a wide range of conditions, helping to establish what is needed to produce a new generation of materials.

Progress in Organic and Physical Chemistry: Structures and Mechanisms provides a collection of new research in the field of organic and physical properties, including new research on: The physical principles of the conductivity of electrical conducting polymer compounds The dependence on constants of electromagnetic interactions upon electron spacial-energy characteristics Effects of chitosan molecultural weight on rehological behavior of chitosan modified nanoclay at hight hydrated state Bio-structural energy criteria of functional states in normal and pathological conditions Potentiometric study on the international between devalent cations and sodium carboxylates in aqueous solutions Structural characteristic changes in erythrocyte membranes of mice bearing Alzheimer's-like disease caused by the olfactory bulbetomy This volume is intended to provide an overview of new studies and research for engineers, faculty, researchers, and upper-level students in the field of organic and physical chemistry.

The field of bioscience methodologies in physical chemistry stands at the intersection of the power and generality of classical and quantum physics with the minute molecular complexity of chemistry and biology. This book provides an application of physical principles in explaining and rationalizing chemical and biological phenomena. It does not stick to the classical topics that are conventionally considered as part of physical chemistry; instead it presents principles deciphered from a modern point of view, which is the strength of this book.

This important new book provides innovative material, including peer-reviewed chapters and survey articles on new applied research and development, in the scientifically important field of QSAR in medicinal chemistry. QSAR is a growing field because available computing power is continuously increasing, QSAR's potential is enormous, limited only by the quantity and quality of the available experimental input, which are also continuously improving. The number of possible structures for the design of new organic compounds is difficult to imagine, and QSAR helps to predict their activities even before synthesis. The book provides a wealth of valuable information and: * Presents an overview of recent developments in QSAR methodologies along with a brief history of QSAR * Covers the available web resource tools and in silico techniques used in virtual screening and drug discovery processes, compiling an extensive review of web resources in the following categories: databases related to chemical compounds, drug targets, and ADME/toxicity prediction; molecular modeling and drug designing; virtual screening; pharmacophore generation; molecular descriptor calculation software; software for quantum mechanics; ligand binding affinities (docking); and software related to ADME/toxicity prediction * Reviews the rm2 as a more stringent measure for the assessment of model predictivity compared to traditional validation metrics, being specifically important since validation is a crucial step in any QSAR study * Presents linear model improvement techniques that take into account the conformation flexibility of the modeled molecules * Summarizes the building processes of four different pharmacophore models: common-feature, 3D-QSAR, protein-, and protein-ligand complexes * Shows the role of different conceptual density functional theory based chemical reactivity descriptors, such as hardness, electrophilicity, net electrophilicity, and philicity in the design of different QSAR/QSPR/QSTR models * Reviews the use of chemometrics in PPAR research highlighting its substantial contribution in identifying essential structural characteristics and understanding the mechanism of action * Presents the structures and QSARs of antimicrobial and immunosuppressive cyclopeptides, discussing the balance of antimicrobial and haemolytic activities for designing new antimicrobial cyclic peptides * Shows the relationship between DFT global descriptors and experimental toxicity of a selected group of polychlorinated biphenyls, exploring the efficacy of three DFT descriptors * Reviews the applications of Quantitative Structure-Relative Sweetness Relationships (QSRSR), showing that the last decade was marked by an increase in the number of studies regarding QSAR applications for both understanding the sweetness mechanism and synthesizing novel sweetener compounds for the food additive industry The wide coverage makes this book an excellent reference for those in chemistry, pharmacology, and medicine as well as for research centers, governmental organizations, pharmaceutical companies, and health and environmental control organizations.