The application of quantum mechanics to many-particle systems has been an active area of research in recent years as researchers have looked for ways to tackle difficult problems in this area. The quantum trajectory method provides an efficient computational technique for solving both stationary and time-evolving states, encompassing a large area of quantum mechanics. Quantum Trajectories brings the expertise of an international panel of experts who focus on the epistemological significance of quantum mechanics through the quantum theory of motion. Emphasizing a classical interpretation of quantum mechanics as developed by de Broeglie and Bohm, this volume: Introduces the concept of the quantum theory of motion Explains the connection with conventional quantum mechanics Presents various numerical techniques generated from the Bohmian approach Describes the epistemological significance of quantum trajectories Provides an authoritative account of the foundations of quantum mechanics vis-a-vis that of the Bohmian mechanics The popularity of using the quantum trajectory as a computational tool has exploded over the last decade, finally bringing this methodology to the level of practical applications. Many of the experts in the field who have either developed the methodology or have improved upon it have contributed chapters to this volume, making it a state-of-the-art expression of the field as it exists today and providing insight into the future of this technology.

Cell adhesion comes into play in almost all domains of life. The range of situations in which it occurs, involving organisms, living tissues, microorganisms or single cells, is endless. Cell adhesion is involved in the binding of a cell to a surface, extracellular matrix, or another cell using cell adhesion molecules. It is crucial in the formation and maintenance of coherent multicellular structures. Cell surface adhesion molecules (integrins, for example) which transmit information from the extracellular matrix to the cell play vital roles in numerous cellular processes. Some of these include: cell growth, differentiation, embryogenesis, immune cell transmigration and response, and cancer metastasis. Also cell adhesion is involved in most of pathological situations. This book is divided into four parts as follows: Part 1: Fundamentals of Cell Adhesion; Part 2: Methods to Study Cell Adhesion; Part 3: Surface Treatments to Control Cell Adhesion and Behavior; and Part 4: Cell Adhesion in Medicine and Therapy. A bountiful information is covered in this book which represents the cumulative wisdom of many world-renowned researchers( physicists, materials scientists, chemists and biologists) engaged in unraveling the mechanisms of cell adhesion and how to mitigate or control it. It quite patent from the topics covered in this book that the subject of cell adhesion is truly interdisciplinary. This book should be of great interest and value to anyone interested in cell adhesion which is vitally important to human life.

This book introduces combustion related topics, including chemical thermodynamics, chemical kinetics, deflagrations, detonations in premixed media, diffusion flames, ignition, and flame stabilization, to undergraduate students in mechanical, aerospace, chemical, and civil engineering.

Polyamic Acids and Polyimides surveys significant developments in basic research in the chemistry and physics of polyamic acids and polyimides over the last several years. Traditional and new topics are discussed, including catalytical imidization, chemical reactions at thermal treatment, quantum-chemical study of synthesis and structure, properties of isolated molecules, and supermolecular and crystalline structures. The book will be an excellent reference for researchers, practitioners, and graduate students working with polyimides and related heat-resistant polymers and materials.

The Ion Exchange and Solvent Extraction series treats ion exchange and solvent extraction both as discrete topics and as a unified, multidisciplinary study - presenting new insights for researchers in many chemical and related field. Containing current knowledge and results in ion exchange, this text: presents an overview of the chemical thermodynamics of cation-exchange reactions, with particular emphasis placed on liquid-phase- and solid-phase-activity coefficient models; describes the development of surface complexation theory and its application to the ion exchange phenomenon; discusses metal-natural colloid surface reactions and their consideration by surface complexation modelling complements; and covers the influence of humic substances on the uptake of metal ions by naturally occurring materials.

Striking a balance between basic chemistry and chemical engineering, this up-to-date reference discusses important aspects of acetic acid and its major derivatives, including chemistry, methods of preparation and manufacture, and synthesis, as well as current and emerging downstream technologies.;The book provides comprehensive physical property data for compounds and their separation, including acetic acid-water separation. Describing five categories of techniques for the manufacture of acetic acid, it: examines thermophysical properties and aqueous solutions, with detailed explanations of mathematical models and correlations; supplies a critical analysis of property; outlines manufacturing costs and related economic factors; reviews the applications of acetic acid and derivatives; covers the chemistry and preparation of the derivatives; elucidates recent topics such as deicers, esters and new esterification technologies.

New Edition! Completely Revised and Updated
Chemical Graph Theory, 2nd Edition is a completely revised and updated edition of a highly regarded book that has been widely used since its publication in 1983. This unique book offers a basic introduction to the handling of molecular graphs - mathematical diagrams representing molecular structures. Using mathematics well within the vocabulary of most chemists, this volume elucidates the structural aspects of chemical graph theory: (1) the relationship between chemical and graph-theoretical terminology, elements of graph theory, and graph-theoretical matrices; (2) the topological aspects of the Hückel theory, resonance theory, and theories of aromaticity; and (3) the applications of chemical graph theory to structure-property and structure-activity relationships and to isomer enumeration. An extensive bibliography covering the most relevant advances in theory and applications is one of the book's most valuable features. This volume is intended to introduce the entire chemistry community to the applications of graph theory and will be of particular interest to theoretical organic and inorganic chemists, physical scientists, computational chemists, and those already involved in mathematical chemistry.

Organic photochemistry is the science arising from the application of photochemicalmethods to organic chemistry and organic chemical methods to photochemistry. It is aninterdisciplinary frontier.Intense activity in organic photochemistry in the last decade has produced so vast anaccumulation of factual knowledge that chemists in general have viewed it with awe.Even those chemists engaged in the study of organic photochemistry will find the rate ofdevelopment in the field perplexing to a high degree. This series originated to fill theneed for a critical summary of this vigorously expanding field with the purpose ofdrawing together seemingly unrelated facts, summarizing progress, and clarifyingproblems.Volume 11 continues to fulfill the original, essential role of this unique series byproviding a convenient review of the structural aspects of organic photochemistry. Aswith earlier volumes, this new book offers the research findings of distinguishedauthorities. It stresses timely aspects of organic photochemistry-previously scatteredthroughout the large body of literature-for which necessary critical review has beenlacking.This volume of the series emphasizes the mechanistic details of the di-n:-methanerearrangement . .. the synthetic aspects of the oxadi-n:-methane reaction ... thephotochemistry of carbenium ions and related species .. . photoinduced hydrogen atomabstraction by carbonyl compounds ... and matrix photochemistry of nitrenes, carbenes,and excited triplet states. Complete with numerous illustrations and bibliographiccitations of the literature, this book explores these important processes to the advantageof organic chemists, as an aid to research and as a source for supplementary knowledgeon particular topics .

This book provides a quantitative assessment of the advances in the area of catalysis and kinetics in microheterogeneous systems. It is an invaluable resource for chemists interested in catalysis and reaction kinetics, and physicists interested in semiconductors, metal clusters and catalysis.

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.

Unique in focus, Surface Chemistry and Geochemistry of Hydraulic Fracturing examines the surface chemistry and phenomena in the hydrofracking process. Under great scrutiny as of late, the physico-chemical properties of hydrofracking are fully detailed and explained. Topics include the adsorption-desorption of gas on the shale reservoir surface and relevant waste-water treatment dependent on various surface chemistry principles. The aim of this book is to help engineers and research scientists recognize the basic surface chemistry principles related to this subject. Written by a long-time expert in the field, this book presents an unbiased account of the hard science and engineering involved in a resource that is gaining growing attention within the community.

A description of catalytic systems commonly used as model systems in the laboratory and as industrial catalysts in large-scale operations, and a discussion of the mechanisms operating in these reactions. Attempts to describe the elementary steps by quantum chemical methods are also shown, as are rec

Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: * Polarizable force fields * Tight-binding DFT * More extensive DFT functionals, excited states and time dependent molecular properties * Accelerated Molecular Dynamics methods * Tensor decomposition methods * Cluster analysis * Reduced scaling and reduced prefactor methods

A comprehensive treatment of a large family of polymers useful in a wide range of applications in such fields as automotive, pharmaceutical, cosmetic, metal-working, mining, industrial coating, textile, construction, and home furnishings. Summarizes the chemistry and mechanisms; provides basic prepa

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

This book examines both the potential application of electronic nose technology, and the current state of development of chemical sensors for the detection of vapours from explosives, such as those used in landmines. The two fields have developed, somewhat in parallel, over the past decade and so one of the purposes of this workshop, on which the book is based, was to bring together scientists from the two fields in order to challenge the two communities and, mutually, stimulate both fields.

It begins with a review of the basic principles of an electronic nose and explores possible ways in which the detection limit of conventional electronic nose technology can be reduced to the level required for the trace levels observed for many explosive materials. Next are reviews of the use of several different types of solid-state chemical sensors: polymer-based sensors, i.e. chemiluminescent, fluorescent and optical, to detect explosive materials; metal oxide semiconducting resistive sensors; and then electrochemical sensors. Next, different pattern recognition techniques are presented to enhance the performance of chemical sensors. Then biological systems are considered as a possible blue-print for chemical sensing. The biology can be employed either to understand the way insects locate odorant sources, or to understand the signal processing neural pathways. Next is a discussion of some of the new types of electronic noses; namely, a fast GC column with a SAW detector and a micromechanical sensor. Finally, the important issues of sampling technologies and the design of the microfluidic systems are considered. In particular, the use of pre-concentrators and solid phase micro extractors to boost the vapour concentration before it is introduced to the chemical sensor or electronic nose.

This book provides an introduction on applications of lasers in Chemistry. It describes laser as a tool for chemistry, the consideration involved in describing a laser beam and what happens to beam as it is propagated through a gas. The book is useful for graduates and advanced undergraduates.

This book is designed to provide authoritative reviews in the field of modern electroanalytical chemistry defined in its broadest sense. It is helpful to practicing analytical chemists interested in learning about and applying electroanalytical techniques.

This volume provides authoritative reviews in the field of modern electroanalytical chemistry defined in its broadest sense. It is valuable to practicing analytical chemists interested in learning about and applying electroanalytical techniques.

This book provides an introduction to colloid science, based on the application of the principles of physical chemistry. Early chapters assume only an elementary knowledge of physical chemistry and provide the basis for more thorough discussion in later chapters covering specific aspects of colloid science. The widespread occurrence of colloids is stressed and the more important industrial applications of colloid technology are outlined. The final chapter deals with the future of colloid science and indicates the directions in which further developments are likely to take place. The book is ideal for undergraduate courses and, supplemented by further reading, for postgraduates too. It will also be useful to industrial research workers who wish to become familiar with the basic ideas and their many important applications to industry.

Volume 4 of the 5-volume Quantum Nanochemistry covers quantum (physical) chemical theory of solids and orderability and addresses the electronic order problems in the solid state viewed as a huge molecule in special quantum states, including also the bondonic treatment of the graphene nano-ribbons, along basic crystallographic principles, from geometrical-, to chemical- to physical- (x-ray) crystallography with featured examples, and energetic correlating symmetry discussion on orderability in nanochemical compounds.

'Shape in Chemistry' looks at molecular shape from a unique perspective: It introduces the reader to the topological concepts and methods of precise shape characterization that are applicable for direct, non-visual description and analysis of general molecular shapes. The author provides a pictorial introduction to all the topological tools necessary for the subjects discussed. Mathematical description is also provided at an easily comprehensible level. New concepts are introduced beginning at the familiar level of stereochemistry and lead on to more advanced topological shape analysis methods. The structure of the book reflects the author's desire to bring the reader to an early appreciation of the power of topology in chemistry. After a brief review of the quantum chemical concept, the author compares the merits of visual, computer graphics methods and nonvisual, algorithmic shape analysis methods. The book ends with the concepts of approximate symmetry and various generalizations of symmetry. 'Shape in Chemistry' is surely destined to become standard reading in the field. It presents a valuable addition to the literature on shape and modeling of molecules for non-specialists organic, physical and medical chemists, researchers in various aspects of QSAR and pharmacological drug design and advanced undergraduate and graduate students.

Reagents in Mineral Technology provides comprehensive coverage of both basic as well asapplied aspects of reagents utilized in the minerals industry.This outstanding, single-source reference opens with an explicit account of flotation fundamentals,including coverage of wetting phenomena, mineral/water interfacial phenomena, flo tationchemistry, and flocculation and dispersion of mineral suspensions.It then discusses flotation of sulfide and nonsulfide minerals, with attention to formation ofclithiolates, formation of metal thiol compounds, application of fatty acids, sulfosuccinic acids,amines, and other collectors.Reagents in Mineral Technology also reviews adsorption of surfactants on minerals .. .details adsorption of polymers .. . and considers the chemistry and application of chelation agentsin minerals separations.Additional chapters consider grinding aids, frothers, inorganic and polymeric depressants,dewatering and filtering aids, analytical techniques, and much more.Unique in its depth of coverage, Reagents in Mineral Technology will prove an invaluablereference for mineral engineers and processors; analytical, surface, colloid, and physical chemists;petroleum, petrochemical, metallurgical, and mining engineers; and for use in advancedundergraduate- and graduate-level courses in these and related fields.

This book is based on the proceedings of the conference "The role of surfactants in new and emerging technology". It examines the position of surfactants in the new growth areas, and describes the needs for surfactant research to facilitate advances in those areas.

This book presents up-to-date information about the catalysis and surface properties of liquid metals and liquid alloys. It is intended for use by chemical engineers and researchers in catalysis, surface science, liquid metals, and chemical process technologies.