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Books > Science & Mathematics > Chemistry > Physical chemistry
The need for properties is ever increasing to make processes more economical. A good survey of the viscosity data, its critical evaluation and correlation would help design engineers, scientists and technologists in their areas of interest. This type of work assumes more importance as the amount of experimental work in collection and correlation of properties such as viscosity, thermal conductivity, heat capacities, etc has reduced drastically both at the industry, universities, and national laboratories. One of the c o-authors, Professor Viswanath, co-authored a book jointly with Dr. Natarajan Data Book on the Viscosity of Liquids in 1989 which mainly presented collected and evaluated liquid viscosity data from the literature. Although it is one of its kinds in the field, Prof. Viswanath recognized that the design engineers, scientists and technologists should have a better understanding of theories, experimental procedures, and operational aspects of viscometers. Also, rarely the data are readily available at the conditions that are necessary for design of the equipment or for other calculations. Therefore, the data must be interpolated or extrapolated using the existing literature data and using appropriate correlations or models. We have tried to address these issues in this book."
I ?rst heard of k.p in a course on semiconductor physics taught by my thesis adviser William Paul at Harvard in the fall of 1956. He presented the k.p Hamiltonian as a semiempirical theoretical tool which had become rather useful for the interpre- tion of the cyclotron resonance experiments, as reported by Dresselhaus, Kip and Kittel. This perturbation technique had already been succinctly discussed by Sho- ley in a now almost forgotten 1950 Physical Review publication. In 1958 Harvey Brooks, who had returned to Harvard as Dean of the Division of Engineering and Applied Physics in which I was enrolled, gave a lecture on the capabilities of the k.p technique to predict and 't non-parabolicities of band extrema in semiconductors. He had just visited the General Electric Labs in Schenectady and had discussed with Evan Kane the latter's recent work on the non-parabolicity of band extrema in semiconductors, in particular InSb. I was very impressed by Dean Brooks's talk as an application of quantum mechanics to current real world problems. During my thesis work I had performed a number of optical measurements which were asking for theoretical interpretation, among them the dependence of effective masses of semiconductors on temperature and carrier concentration. Although my theoretical ability was rather limited, with the help of Paul and Brooks I was able to realize the capabilities of the k.p method for interpreting my data in a simple way."
Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Hydrogen bonds represent type of molecular interaction that
determines the structure and function of a large variety of
molecular systems. The elementary dynamics of hydrogen bonds and
related proton transfer reactions, both occurring in the ultra fast
time domain between 10-14 and 10-11s, form a research topic of high
current interest.
This book is devoted to the synthetic and physical chemistry of aromatic thiols and their closest derivatives, sulfides, sulfoxides, sulfones, including those substituted by various functional groups such as acyl and thioacyl, alkoxide, ester, hydroxyl and halogens. In some cases, for comparison, selenium and oxygen analogues are also detailed. The main focus of the book is on synthetic methods, both traditional and new, based on the use of transition metals as catalysts, as well as the reactivity of the compounds obtained. Its addition to the influence of conformational and electronic factors on spectral (NMR, IR, UV, NQR) and electrochemical characteristics of the compounds is presented. Finally, the book describes the application of aromatic thiols and their derivatives as drug precursors, high-tech materials, building blocks for organic synthesis, analytical reagents and additives for oils and fuels. It is a useful handbook for all those interested in organosulfur chemistry.
Multiphase catalysis is a key technology for the competitive and sustainable production of fine chemicals in coming decades. A joint academic and industry consortium has developed tools for considering complex chemical and process-based requirements when setting up a catalytic system. This book shows how the resulting competence covers such supercritical fluid (SCF) technology in catalysis, ionic liquids (Il), ligand design for SFCs and Ils, thermomorphic solvent systems, reactor design and more.
A thermodynamically consistent description of the transport across interfaces in mixtures has for a long time been an open issue. This research clarifies that the interface between a liquid and a vapor in a mixture is in local equilibrium during evaporation and condensation. It implies that the thermodynamics developed for interfaces by Gibbs can be applied also away from equilibrium, which is typically the case in reality. A description of phase transitions is of great importance for the understanding of both natural and industrial processes. For example, it is relevant for the understanding of the increase of CO2 concentration in the atmosphere, or improvements of efficiency in distillation columns. This excellent work of luminescent scientific novelty has brought this area a significant step forward. The systematic documentation of the approach will facilitate further applications of the theoretical framework to important problems.
In 2001 Wyn Roberts celebrated both his 70th birthday and 50 years of working in surface science, to use the term "surface science" in its broadest meaning. This book aims to mark the anniversary with a contribution of lasting value, something more than the usual festschrift issue of a relevant journal. The book is divided into three sections: Surface Science, Model Catalysts and Catalysis, topics in which Wyn has always had interests. The authors for each chapter were chosen from some of the many eminent scientists who have worked with Wyn in various ways and are all internationally acknowledged as leaders in their field. The authors have produced authoritative reviews of their own specialties which together result in a book with an unrivalled combination of breadth and depth exploring the most recent developments in surface chemistry and catalysis.
This book contains 99 of the papers that were presented at the 6th in the series of Symposia on Characterization of Porous Solids held in Alicante, Spain, May 2002. <br><br>Written by leading international specialists in the subject, the contributions represent an up-to-date and authoritative account of recent developments around the world in the major methods used to characterize porous solids. The book is a useful work of reference for anyone interested in characterizing porous solids, such as MCM-41 mesoporous materials, pillared clays, etc. Papers on pore structure determination using gas adsorption feature strongly, together with papers on small angle scattering methods, mercury porosimetry, microcalorimetry, scanning probe microscopies, and image analysis.
Over the past 20 years aqueous organometallic catalysis has found applications in small- scale organic synthesis in the laboratory, as well as in the industrial production of chemicals with a combined output close to one million tons per year. Aqueous/organic two-phase reactions allow easy product-catalyst separation and full catalyst recovery which mean clear benefits not only in economic but also in environmental and green chemistry contexts. Instead of putting together a series of expert reviews of specialized fields, this book attempts to give a comprehensive yet comprehensible description of the various catalytic transformations in aqueous systems as seen by an author who has been working on aqueous organometallic catalysis since its origin. Emphasis is put on the discussion of differences between related non-aqueous and aqueous processes due to the presence of water. The book will be of interest to experts and students working in catalysis, inorganic chemistry or organic synthesis, and may serve as a basis for advanced courses.
This book is the first comprehensive work to be published on far-ultraviolet (FUV) and deep-ultraviolet (DUV) spectroscopy, subjects of keen interest because new areas of spectroscopy have been born in the FUV and DUV regions. For example, FUV spectroscopy in condensed matter has become possible due to the development of attenuated total reflection/FUV spectroscopy. As other examples, DUV surface-enhanced Raman scattering and DUV tip-enhanced Raman scattering have received great attention. Imaging by DUV spectroscopy has also become an area of interest. More recently, FUV and DUV spectroscopy have shown potential for applications in several fields including industry. All these topics are described in this book. Doctoral students and researchers in universities and national research institutes as well as researchers in various industries will find this volume highly useful.
Provides historical perspective as well as current data Abundantly illustrated with figures redrawn from literature data Covers all pertinent theory and physical chemistry Catalytic and chemotherapeutic applications are included
The author provides a unified account of the electrochemical material science of metal chalcogenide (MCh) compounds and alloys with regard to their synthesis, processing and applications. Starting with the chemical fundamentals of the chalcogens and their major compounds, the initial part of the book includes a systematic description of the MCh solids on the basis of the Periodic Table in terms of their structures and key properties. This is followed by a general discussion on the electrochemistry of chalcogen species, and the principles underlying the electrochemical formation of inorganic compounds/alloys. The core of the book offers an insight into available experimental results and inferences regarding the electrochemical preparation and microstructural control of conventional and novel MCh structures. It also aims to survey their photoelectrochemistry, both from a material-oriented point of view and as connected to specific processes such as photocatalysis and solar energy conversion. Finally, the book illustrates the relevance of MCh materials to various applications of electrochemical interest such as (electro)catalysis in fuel cells, energy storage with intercalation electrodes, and ion sensing.
This volume of Modern Aspects contains a remarkable spread of topics covered in an authoritative manner by some internationally renowned specialists. In a seminal chapter Drs. Babu, Oldfield and Wieckowski demonstrate eloquently the strength of electrochemical nuclear magnetic resonance (EC-NMR) to study in situ both sides of the electrochemical interface via the simultaneous use of and This powerful non-invasive technique brings new insights to both fundamental and practical key aspects of electrocatalysis, including the design of better anodes for PEM fuel cells. The recent impressive advances in the use of rigorous ab initio quantum chemical calculations in electrochemistry are described in a remarkable chapter by Marc Koper, one of the leading protagonists in this fascinating area. This lucid chapter is addressed to all electrochemists, including those with very little prior exposure to quantum chemistry, and demonstrates the usefulness of ab initio calculations, including density functional theory (DFT) methods, to understand several key aspects of fuel cell electrocatalysis at the molecular level. The most important macroscopic and statistical thermodynamic models developed to describe adsorption phenomena on electrodes are presented critically in a concise and authoritative chapter by Panos Nikitas. The reader is guided through the seminal contributions of Frumkin, Butler, Bockris, Guidelli and others, to the current state of the art adsorption isotherms, which are both rigorous, and in good agreement with experiment.
This text is designed as a practical introduction to quantum chemistry. Quantum chemistry is applied to explain and predict molecular spectroscopy and the electronic structure of atoms and molecules. In addition, the text provides a practical guide to using molecular mechanics and electronic structure computations including ab initio, semi-empirical, and density functional methods. The use of electronic structure computations is a timely subject as its applications in both theoretical and experimental chemical research is increasingly prevalent. This text is written in a format that fosters mastery of the subject both in competency in the mathematics and in obtaining a conceptual understanding of quantum mechanics. The chemistry student's interest is maintained early on in the text where quantum mechanics is developed by applying it to molecular spectroscopy and through conceptual questions labeled as Chemical Connection. Questions throughout the text labeled as Chemical Connection and Points of Further Understanding focus on conceptual understanding and consequences of quantum mechanics. If an Instructor chooses, these questions can be used as a basis for classroom discussion encouraging cooperative learning techniques. This text provides a solid foundation from which students can readily build further knowledge of quantum chemistry in more advanced courses. In cases where this is a final course in quantum chemistry, this text provides the student not only with an appreciation of the importance of quantum mechanics to chemistry, but also with a practical guide to using electronic structure computations.
The series Topics in Heterocyclic Chemistry presents critical reviews on present and future trends in the research of heterocyclic compounds. Overall the scope is to cover topics dealing with all areas within heterocyclic chemistry, both experimental and theoretical, of interest to the general heterocyclic chemistry community. The series consists of topic related volumes edited by renowned editors with contributions of experts in the field. All chapters from Topics in Heterocyclic Chemistry are published Online First with an individual DOI. In references, Topics in Heterocyclic Chemistry is abbreviated as Top Heterocycl Chem and cited as a journal
Chirality and stereogenicity are closely related concepts and their differentiation and description is still a challenge in chemoinformatics. In his 2015 book, Fujita developed a new stereoisogram approach that provided theoretical framework for mathematical aspects of modern stereochemistry. This new edition includes a new chapter on Computer-Oriented Representations developed by the author based on Groups, Algorithms, Programming (GAP) system.
Today high magnetic fields play an increasingly important role in many scientific fields. Formerly their use was largely restricted to the measurement of physical phenomena and the characterization of materials. But more recently they have found application in many new areas such as materials processing, crystal growth, and even in chemistry and biology. This book gives a broad survey of some of the most exciting recent applications of high magnetic fields, with the emphasis on materials science. These include, among others, the study of conventional and high-Tc superconductors, semiconductors, low-dimensional organic conductors, conducting polymers and protein crystallization. Each chapter begins with a general introduction and goes on to present detailed experimental results together with their interpretation. Researchers and students alike will find this book an excellent introduction to, and overview of current applications of static high magnetic fields.
The book deals with recent scientific highlights on molecular magnetism in Europe. Molecular magnetism is a new interdisciplinary discipline gathering together chemists and physicists, theoreticians and experimentalists. The book intends to provide the reader with documented answers to some current questions. How chemists can use soft conditions to transform molecules in light and transparent magnets? How a molecular system can behave as a single molecule magnet? How to combine several functions in the same molecular system? How light can be used to switch molecular magnetic properties? How can molecules be used for ultimate high density information storage or in quantum computing? What kind of methods do physicists develop and use to explore these new properties of matter? What kind of concepts and calculations can be provided for theoreticians to design new objects and to better understand the field and to enlarge its exciting developments?
For fifty years, Hydrosilylation has been one of the most fundamental and elegant methods for the laboratory and industrial synthesis of organosilicon and silicon related compounds. Despite the intensive research and continued interest generated by organosilicon compounds, no comprehensive book incorporating its various aspects has been published this century. The aim of this book is to comprehensively review the advances of hydrosilylation processes since 1990. The survey of the literature published over the last two decades enables the authors to discuss the most recent aspects of hydrosilylation advances (catalytic and synthetic) and to elucidate the reaction mechanism for the given catalyst used and the reaction utilization. New catalytic pathways under optimum conditions necessary for efficient synthesis of organosilicon compounds are presented. This monograph shows the extensive development in the application of hydrosilylation in organic and asymmetric syntheses and in polymer and material science.
The aim of this book is to survey a number of chemical compounds that chemists, both theoretical and experimental, find fascinating. Some of these compounds, like planar carbon species or oxirene, offer no obvious practical applications; nitrogen oligomers and polymers, in contrast, have been touted as possible high-energy-density materials. What unites this otherwise eclectic collection is that these substances are unknown and offer a challenge to theory and to synthesis. It is envisioned that this collection of idiosynchractic molecules will appeal to chemists who find the study of chemical oddities interesting and, on occasion, even rewarding.
"N-Heterocyclic Carbenes in Transition Metal Catalysis and Organocatalysis" features all catalytic reactions enabled by N-heterocyclic carbenes (NHCs), either directly as organocatalysts or as ligands for transition metal catalysts. An explosion in the use of NHCs has been reported in the literature during the past seven years making this comprehensive overview highly apropos. The book begins with an introductory overview of NHCs which could have been subtitled "all you need to know about NHCs." The main body of the book is dedicated to applications of NHCs in catalysis. In addition to the success stories of NHCs in metathesis, NHCs in cross coupling and more recently NHCs in organocatalysis, all other less publicized areas are also covered. As the success of NHCs is generally attributed to their potential to stabilize metal centres, the inclusion of a chapter on the decomposition of NHC catalysts is pertinent. The book closes with a chapter describing the applications of NHCs in industrial processes, which is the first coverage of its kind, and brings a unique industrial context to this book. Included in this book: Historical aspects of NHCsSynthetic pathways to NHC precursors, free NHCs and complexesMethods of characterisation of NHCs and related complexesElectronic properties of NHCsSteric properties of NHCs and models for their descriptionNHCs for metathesis and cross-coupling reactionsNHCs as organocatalystsNHC Transition-Metal mediated oxidations, additions to multiple bonds, polymerisation and oligomerisation, cyclisations, direct arylations, reactions involving CO, C-F and C-H bond activation, ...Decomposition of NHC-containing catalystsIndustrial applications involving NHC-containing catalysts "N-Heterocyclic Carbenes in Transition Metal Catalysis and Organocatalysis" provides a fresh view of NHCs since most contributors are young emerging researchers in the field of homogeneous catalysis using NHCs. This group of contributors is complemented by highly established academic researchers and an industrialist. This book is comprehensive, from the basic features of NHCs to the latest advances, hence it is suitable for both the novice and the expert.
Crystal growth and nucleation are treated in the specialized literature in different ways depending on the discipline in question (physics, physical chemistry, chemical engineering) and on the theoretical approaches (atomistic vs continuum approach as regards crystal growth, phase vs chemical concept as regards nucleation). This book relates the different approaches to one another, giving preference to atomistic treatments by the methods of statistical thermodynamics and chemical kinetics. This unified approach also facilitates an understanding of some related phenomena of surface physics, such as adsorption, wetting etc. The book allows research novices and graduate students to get an insight into the physics of the phenomena and to interpret some of the experimental results.
This textbook sets out to enable readers to understand fundamental aspects underlying quantum macroscopic phenomena in solids, primarily through the modern experimental techniques and results. The classic independent-electrons approach for describing the electronic structure in terms of energy bands helps explain the occurrence of metals, insulators and semiconductors. It is underlined that superconductivity and magnetism can only be understood by taking into account the interactions between electrons. The text recounts the experimental observations that have revealed the main properties of the superconductors and were essential to track its physical origin. While fundamental concepts are underlined, those which are required to describe the high technology applications, present or future, are emphasized as well. Problem sets involve experimental approaches and tools which support a practical understanding of the materials and their behaviour. |
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