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The Encyclopedia of Physical Chemistry and Chemical Physics introduces possibly unfamiliar areas, explains important experimental and computational techniques, and describes modern endeavors. The encyclopedia quickly provides the basics, defines the scope of each subdiscipline, and indicates where to go for a more complete and detailed explanation. Particular attention has been paid to symbols and abbreviations to make this a user-friendly encyclopedia. Care has been taken to ensure that the reading level is suitable for the trained chemist or physicist. The encyclopedia is divided in three major sections:FUNDAMENTALS: the mechanics of atoms and molecules and their interactions, the macroscopic and statistical description of systems at equilibrium, and the basic ways of treating reacting systems. The contributions in this section assume a somewhat less sophisticated audience than the two subsequent sections. At least a portion of each article inevitably covers material that might also be found in a modern, undergraduate physical chemistry text. METHODS: the instrumentation and fundamental theory employed in the major spectroscopic techniques, the experimental means for characterizing materials, the instrumentation and basic theory employed in the study of chemical kinetics, and the computational techniques used to predict the static and dynamic properties of materials. APPLICATIONS: specific topics of current interest and intensive research.For the practicing physicist or chemist, this encyclopedia is the place to start when confronted with a new problem or when the techniques of an unfamiliar area might be exploited. For a graduate student in chemistry or physics, the encyclopedia gives a synopsis of the basics and an overview of the range of activities in which physical principles are applied to chemical problems. It will lead any of these groups to the salient points of a new field as rapidly as possible and gives pointers as to where to read about the topic in more detail.

The Encyclopedia of Physical Chemistry and Chemical Physics introduces possibly unfamiliar areas, explains important experimental and computational techniques, and describes modern endeavors. The encyclopedia quickly provides the basics, defines the scope of each subdiscipline, and indicates where to go for a more complete and detailed explanation. Particular attention has been paid to symbols and abbreviations to make this a user-friendly encyclopedia. Care has been taken to ensure that the reading level is suitable for the trained chemist or physicist. The encyclopedia is divided in three major sections:FUNDAMENTALS: the mechanics of atoms and molecules and their interactions, the macroscopic and statistical description of systems at equilibrium, and the basic ways of treating reacting systems. The contributions in this section assume a somewhat less sophisticated audience than the two subsequent sections. At least a portion of each article inevitably covers material that might also be found in a modern, undergraduate physical chemistry text. METHODS: the instrumentation and fundamental theory employed in the major spectroscopic techniques, the experimental means for characterizing materials, the instrumentation and basic theory employed in the study of chemical kinetics, and the computational techniques used to predict the static and dynamic properties of materials. APPLICATIONS: specific topics of current interest and intensive research.For the practicing physicist or chemist, this encyclopedia is the place to start when confronted with a new problem or when the techniques of an unfamiliar area might be exploited. For a graduate student in chemistry or physics, the encyclopedia gives a synopsis of the basics and an overview of the range of activities in which physical principles are applied to chemical problems. It will lead any of these groups to the salient points of a new field as rapidly as possible and gives pointers as to where to read about the topic in more detail.

Encyclopedia of Solid-Liquid Interfaces is designed to provide a comprehensive overview of macroscopic phenomena at solid-liquid interfaces, e.g. in physics, chemistry, geology, biology and technology, and to describe the methodological approaches and strategies to gain microscopic insight into the underlying properties and processes on the atomic/molecular level. Covering an area of chemistry that plays a fundamental role in nature and technology, the book compiles all relevant features of the field into a'one-stop'reference source that will be relevant to a wide range of interdisciplinary scientists, researchers and academics. Encompassing 155 chapters by renowned experts, and led by leading names in the field, the contents will be organized over 3volumes. - Provides information on solid Liquid Interfaces that no other resource covers - Includes a comprehensive and interdisciplinary overview on current understanding of the ubiquitous phenomena at Solid-Liquid Interfaces in its full interdisciplinary breadth between physics, chemistry, biology and geology - Ideal resource to use in teaching, research and development that requires inputs on solid-liquid interfaces - Presents an up-to-date accounting of the experimental and theoretical research of solid-liquid interfaces at the atomic/molecular level as provided by expert authors

Understanding Molecular Simulation explains molecular simulation from a chemical-physics and statistical-mechanics perspective. It highlights how physical concepts are used to develop better algorithms and expand the range of applicability of simulations. Understanding Molecular Simulation is equally relevant for those who develop new code and those who use existing packages. Both groups are continuously confronted with the question of which computational technique best suits a given application. Understanding Molecular Simulation provides readers with the foundational knowledge they need to learn about, select and apply the most appropriate of these tools to their own work. The implementation of simulation methods is illustrated in pseudocodes, and their practical use is shown via case studies presented throughout the text. Since the second edition's publication, the simulation world has expanded significantly: existing techniques have continued to develop, and new ones have emerged, opening up novel application areas. This new edition aims to describe these new developments without becoming exhaustive; examples are included that highlight current uses, and several new examples have been added to illustrate recent applications. Examples, case studies, questions, and downloadable algorithms are also included to support learning. No prior knowledge of computer simulation is assumed. - Fully updated guide to both the current state and latest developments in the field of molecular simulation, including added and expanded information on such topics as molecular dynamics and statistical assessment of simulation results - Gives a rounded overview by showing fundamental background information in practice via new examples in a range of key fields - Provides online access to new data, algorithms and tutorial slides to support and encourage practice and learning

Molecular simulation allows researchers unique insight into the structures and interactions at play in fluids. Since publication of the first edition of Molecular Simulation of Fluids, novel developments in theory, algorithms and computer hardware have generated enormous growth in simulation capabilities. This 2nd edition has been fully updated and expanded to highlight this recent progress, encompassing both Monte Carlo and molecular dynamic techniques, and providing details of theory, algorithms and both serial and parallel implementations. Beginning with a clear introduction and review of theoretical foundations, the book goes on to explore intermolecular potentials before discussing the calculation of molecular interactions in more detail. Monte Carlo simulation and integrators for molecular dynamics are then discussed further, followed by non-equilibrium molecular dynamics and molecular simulation of ensembles and phase equilibria. The use of object-orientation is examined in detail, with working examples coded in C++. Finally, practical parallel simulation algorithms are discussed using both MPI and GPUs, with the latter coded in CUDA. Drawing on the extensive experience of its expert author, Molecular Simulation of Fluids: Theory, Algorithms, Object-Orientation, and Parallel Computing 2nd Edition is a practical, accessible guide to this complex topic for all those currently using, or interested in using, molecular simulation to study fluids. - Fully updated and revised to reflect advances in the field, including new chapters on intermolecular potentials and parallel algorithms - Covers the application of both MPI and GPU programming to molecular simulation - Covers a wide range of simulation topics using both Monte Carlo and molecular dynamics approaches - Provides access to downloadable simulation code, including GPU code using CUDA, to encourage practice and support learning

This book describes different aspects of characterization and detection of nanomaterials in liquid disperse systems, such as suspensions, emulsions and suspoemulsions. Natural and technical particulate nanomaterials (NMs) are often present in formulations and products consisting of several disperse phases and complex dispersion media. Specific interfacial properties of the particles, their interactions with each other and with the dispersion medium, have to be considered. For example, the interfacial properties determine whether the particles tend to be arranged in aqueous or lipid phases or at their phase boundaries. The interfacial properties are significantly influenced by the adsorption of dissolved species, i.e., they depend on the composition of the dispersion medium. This poses great challenges for the characterization of these nanoparticle systems and requires adequate preparation methods. The nanoparticle measurement techniques aim at a deep physico-chemical understanding of the dispersity state of nanoparticle systems. Since the dispersity state of nanoparticle systems in an application usually does not correspond to their original manufacturing process, the formulation of new or improved product properties is of decisive importance. The characterization of nanoparticles in complex formulations or matrices requires an adequate sample preparation based on an existing or yet to be developed Standard Operating Procedure (SOP). The structure of the SOPs includes the dispersion regulations, which are of essential importance for comparing reproducible results of nanoparticle measurement with respect to comparability and transferability worldwide. The aim is to separate and isolate relevant NMs with knowledge of the interrelationships.

This four-volume handbook gives a state-of-the-art overview of porous materials, from synthesis and characterization and simulation all the way to manufacturing and industrial applications. The editors, coming from academia and industry, are known for their didactic skills as well as their technical expertise. Coordinating the efforts of 37 expert authors in 14 chapters, they construct the story of porous carbons, ceramics, zeolites and polymers from varied viewpoints: surface and colloidal science, materials science, chemical engineering, and energy engineering. Volumes 1 and 2 cover the fundamentals of preparation, characterisation, and simulation of porous materials. Working from the fundamentals all the way to the practicalities of industrial production processes, the subjects include hierarchical materials, in situ and operando characterisation using NMR, X-Ray scattering and tomography, state-of-the-art molecular simulations of adsorption and diffusion in crystalline nanoporous materials, as well as the emerging areas of bio-artificing and drug delivery. Volume 3 focuses on porous materials in industrial separation applications, including adsorption separation, membrane separation, and osmotic distillation. Finally, and highly relevant to tomorrow's energy challenges, Volume 4 explains the energy engineering aspects of applying porous materials in supercapacitors, fuel cells, batteries, electrolysers and sub-surface energy applications.The text contains many high-quality colourful illustrations and examples, as well as thousands of up-to-date references to peer-reviewed articles, reports and websites for further reading. This comprehensive and well-written handbook is a must-have reference for universities, research groups and companies working with porous materials.Related Link(s)

The Handbook of Materials Modeling, 2nd edition is a six-volume major reference serving a steadily growing community at the intersection of two mainstreams of global research: computational science and materials science and technology. This extensively expanded new edition reflects the significant developments in all aspects of computational materials research over the past decade, featuring progress in simulations at multiple scales and increasingly more realistic materials models. Thematically separated into two mutually dependent sets – “Methods: Theory and Modeling (MTM)” and “Applications: Current and Emerging Materials (ACE)” – the handbook runs the entire gamut from theory and methods to simulations and applications. Readers benefit from its in-depth coverage of a broad methodological spectrum extending from advanced atomistic simulations of rare events to data-driven artificial intelligence strategies for materials informatics in the set MTM, as well as forefront emphasis onmaterials of far-ranging societal importance such as photovoltaics and energy-relevant oxides, and cutting-edge applications to materials for spintronic devices, graphene, cement, and glasses in the set ACE. The thorough, interconnected coverage of methods and applications, together with a line-up of internationally acclaimed editors and authors, will ensure the Handbook of Material Modeling's standing as an enduring source of learning and inspiration for a global community of computational materials scientists.

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.

This bestselling textbook on physical electrochemistry caters to the needs of advanced undergraduate and postgraduate students of chemistry, materials engineering, mechanical engineering, and chemical engineering. It is unique in covering both the more fundamental, physical aspects as well as the application-oriented practical aspects in a balanced manner. In addition it serves as a self-study text for scientists in industry and research institutions working in related fields. The book can be divided into three parts: (i) the fundamentals of electrochemistry; (ii) the most important electrochemical measurement techniques; and (iii) applications of electrochemistry in materials science and engineering, nanoscience and nanotechnology, and industry. The second edition has been thoroughly revised, extended and updated to reflect the state-of-the-art in the field, for example, electrochemical printing, batteries, fuels cells, supercapacitors, and hydrogen storage.

This book describes in detail the scientific philosophy of the formation and stabilization-destabilization of foams. It presents all hierarchical steps of a foam, starting from the properties of adsorption layers formed by foaming agents, discussing the properties of foam films as the building blocks of a foam, and then describing details of real foams, including many fields of application. The information presented in the book is useful to people working on the formulation of foams or attempting to avoid or destruct foams in unwanted situations.

Small systems are a very active area of research and development due to improved instrumentation that allows for spatial resolution in the range of sizes from one to 100 nm. In this size range, many physical and chemical properties change, which opens up new approaches to the study of substances and their practical application. This affects both traditional fields of knowledge and many other new fields including physics, chemistry, biology, etc. This book highlights new developments in statistical thermodynamics that answer the most important questions about the specifics of small systems - when one cannot apply equations or traditional thermodynamic models.

This volume, edited by a well-known specialist in the field of theoretical chemistry, gathers together a selection of papers on theoretical chemistry within the themes of mathematical, computational, and quantum chemistry. The authors present a rich assembly of some of the most important current research in the field of quantum chemistry in modern times. In Quantum Chemistry at the Dawn of the 21st Century, the editors aim to replicate the tradition of the fruitful Girona Workshops and Seminars, held at the University of Girona, Italy, annually for many years, which offered important scientific gatherings focusing on quantum chemistry. This volume, like the workshops, showcases a large variety of quantum chemical contributions from different points of view from some of the leading scientists in the field today. This unique volume does not pretend to provide a complete overview of quantum chemistry, but it does provide a broad set of contributions by some of the leading scientists on the field, under the expert editorship of two leaders in the field.

This book provides new clues for understanding electrostatic charging in solids and liquids, resulting from the surge of research in this active area of science that is taking place since the 1990's but is still largely unknown to most researchers, lecturers and engineers. Written by a leading researcher in this field, this book describes the formation and properties of the Earth capacitor, the production of environmental electricity and its effect on natural and anthropic systems and examines many situations in which water may play a decisive role in electrostatic behavior.The authors present an informed critique of the long-held assumption that pure substances should be electroneutral. In this regard, the authors show that charge partition and accumulation is expected considering the electrochemical potential under non-zero electrostatic potential, which prevails at Earth surface. This book provides conceptual tools to guide the reader through thecomplexities and consequences of electrostatic phenomena while covering exciting current topics such as energy scavenging from the environment, electrostatic based green production, energy-saving processes, electrochemistry at the solid-gas interface, therapeutic electrostatic treatments, applications in sanitation and pest control and control of atmospheric electricity and its use in climate engineering.

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.

Concepts of Mathematical Physics in Chemistry: A Tribute to Frank E. Harris - Part B, presents a series of articles concerning important topics in quantum chemistry, including surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. - Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology - Features detailed reviews written by leading international researchers

This Springer Laboratory volume is a practical guide for scientists and students dealing with the measurement of mechanical properties of polymers at the nanoscale through AFM force-distance curves.In the first part of the book the reader will find a theoretical introduction about atomic force microscopy, focused on force-distance curves, and mechanical properties of polymers. The discussion of several practical issues concerning the acquisition and the interpretation of force-distance curves will help scientists starting to employ this technique.The second part of the book deals with the practical measurement of mechanical properties of polymers by means of AFM force-distance curves. Several'hands-on'examples are illustrated in a very detailed manner, with particular attention to the sample preparation, data analysis, and typical artefacts. This section gives a complete overview about the qualitative characterization and quantitative determination of the mechanical properties of homogeneous polymer samples, polymer brushes, polymer thin films, confined polymer samples, model blends and microstructured polymer blends through AFM force-distance curves. The book also introduces to new approaches and measurement techniques, like creep compliance and force modulation measurements, pointing out approximations, limitations and issues requiring further confirmation.

This new edition of the Handbook of Surface and Colloid Chemistry informs you of significant recent developments in the field. It highlights new applications and provides revised insight on surface and colloid chemistry's growing role in industrial innovations. The contributors to each chapter are internationally recognized experts. Several chapter

Industrial and academic scientists face increasing challenges to find cost-effective and environmentally sound methods for converting natural resources into fuels, chemicals and energy. With over 7000 papers published in this field of catalysis each year, keeping up with the literature can be difficult. Catalysis Volume 27 presents critical and comprehensive reviews of the hottest literature published over the last twelve months. Covering major areas such as chemical transformations using two-dimensional hybrid nanocatalysts, conversion of biomass-derived syngas to fuels and catalytic oxidation of organic pollutants in aqueous solution using sulfate radicals, this book is a useful reference for anyone working in catalysis and an essential resource for any library.

Nanomaterials attract tremendous attention in recent researches. Although extensive research has been done in this field it still lacks a comprehensive reference work that presents data on properties of different Nanomaterials. This Handbook of Nanomaterials Properties will be the first single reference work that brings together the various properties with wide breadth and scope.

Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. - Quantum chemistry - Molecular mechanics - Force fields - Chemical education and applications in academic and industrial settings

The third volume in a series dedicated to colloids and interfaces, Drops and Bubbles in Contact with Solid Surfaces presents an up-to-date overview of the fundamentals and applications of drops and bubbles and their interaction with solid surfaces. The chapters cover the theoretical and experimental aspects of wetting and wettability, liquid-solid

Properties and applications of high surface area materials depend on interfacial phenomena, including diffusion, sorption, dissolution, solvation, surface reactions, catalysis, and phase transitions. Among the physicochemical methods that give useful information regarding these complex phenomena, nuclear magnetic resonance (NMR) spectroscopy is the

There are essentially two theories of solutions that can be considered exact: the McMillan-Mayer theory and Fluctuation Solution Theory (FST). The first is mostly limited to solutes at low concentrations, while FST has no such issue. It is an exact theory that can be applied to any stable solution regardless of the number of components and their co

This is the first text to cover all aspects of solution processed functional oxide thin-films. Chemical Solution Deposition (CSD) comprises all solution based thin- film deposition techniques, which involve chemical reactions of precursors during the formation of the oxide films, i. e. sol-gel type routes, metallo-organic decomposition routes, hybrid routes, etc. While the development of sol-gel type processes for optical coatings on glass by silicon dioxide and titanium dioxide dates from the mid-20th century, the first CSD derived electronic oxide thin films, such as lead zirconate titanate, were prepared in the 1980's. Since then CSD has emerged as a highly flexible and cost-effective technique for the fabrication of a very wide variety of functional oxide thin films. Application areas include, for example, integrated dielectric capacitors, ferroelectric random access memories, pyroelectric infrared detectors, piezoelectric micro-electromechanical systems, antireflective coatings, optical filters, conducting-, transparent conducting-, and superconducting layers, luminescent coatings, gas sensors, thin film solid-oxide fuel cells, and photoelectrocatalytic solar cells. In the appendix detailed “cooking recipes” for selected material systems are offered.

Perturbation theory forms an important basis for predicting the thermodynamic characteristics of real fluids and solids. This book provides a comprehensive review of current perturbation theories-as well as integral equation theories and density functional theories-for the equilibrium thermodynamic and structural properties of classical systems. Emphasizing practical applications, the book avoids complex theoretical derivations as much as possible. Appropriate for experienced researchers as well as postgraduate students, the text presents a wide-ranging yet detailed view and provides a useful guide to the application of the theories described.

Ion Correlations at Electrified Soft Matter Interfaces presents an investigation that combines experiments, theory, and computer simulations to demonstrate that the interdependency between ion correlations and other ion interactions in solution can explain the distribution of ions near an electrified liquid/liquid interface. The properties of this interface are exploited to vary the coupling strength of ion-ion correlations from weak to strong while monitoring their influence on ion distributions at the nanometer scale with X-ray reflectivity and on the macroscopic scale with interfacial tension measurements.This thesis demonstrates that a parameter-free density functional theory that includes ion-ion correlations and ion-solvent interactions is in agreement with the data over the entire range of experimentally tunable correlation coupling strengths. The reported findings represent a significant advance towards understanding the nature and role of ion correlations in charged soft-matter.Ion distributions underlie many scientific phenomena and technological applications, including electrostatic interactions between charged biomolecules and the efficiency of energy storage devices. These distributions are determined by interactions dictated by the chemical properties of the ions and their environment, as well as the long-range nature of the electrostatic force. The presence of strong correlations between ions is responsible for counterintuitive effects such as like-charge attraction.

Within the field of soil science, soil chemistry encompasses the different chemical processes that take place, including mineral weathering, humification of organic plant residues, and ionic reactions involving natural and foreign metal ions that play significant roles in soil. Chemical reactions occur both in the soil solution and at the soil part

Computer simulations provide an essential set of tools for understanding the macroscopic properties of liquid crystals and of their phase transitions in terms of molecular models. While simulations of liquid crystals are based on the same general Monte Carlo and molecular dynamics techniques as are used for other fluids, they present a number of specific problems and peculiarities connected to the intrinsic properties of these mesophases. The field of computer simulations of anisotropic fluids is interdisciplinary and is evolving very rapidly. The present volume covers a variety of techniques and model systems, from lattices to hard particle and Gay-Berne to atomistic, for thermotropics, lyotropics, and some biologically interesting liquid crystals. Contributions are written by an excellent panel of international lecturers and provides a timely account of the techniques and problems in the field.

Provided here is up-to-date and in-depth information on various swelling phenomena occurring in living organisms and in the unanimated world. Thebook is arranged in six parts, which cover fundamentals, special topics, analytical and experimental methods and applications relevant to swelling insoils, cells and tissues of plants and animals. Specifically, it includes all aspects of osmotic phenomena leading to swelling in clays, cells, tissues, gels, blisters, colloidal systems, surfaces and membranes. Forces between surfactant, lipid and protein membranes and in polymeric systems are also considered.

`Non-equilibrium Thermodynamics and Statistical Mechanics: Foundations and Applications'builds from basic principles to advanced techniques, and covers the major phenomena, methods, and results of time-dependent systems. It is a pedagogic introduction, a comprehensive reference manual, and an original research monograph. Uniquely, the book treats time-dependent systems by close analogy with their static counterparts, with most of the familiar results of equilibrium thermodynamics and statistical mechanics being generalized and applied to the non-equilibrium case. The book is notable for its unified treatment of thermodynamics, hydrodynamics, stochastic processes, and statistical mechanics, for its self-contained, coherent derivation of a variety of non-equilibrium theorems, and for its quantitative tests against experimental measurements and computer simulations. Systems that evolve in time are more common than static systems, and yet until recently they lacked any over-arching theory.'Non-equilibrium Thermodynamics and Statistical Mechanics'is unique in its unified presentation of the theory of non-equilibrium systems, which has now reached the stage of quantitative experimental and computational verification. The novel perspective and deep understanding that this book brings offers the opportunity for new direction and growth in the study of time-dependent phenomena.'Non-equilibrium Thermodynamics and Statistical Mechanics'is an invaluable reference manual for experts already working in the field. Research scientists from different disciplines will find the overview of time-dependent systems stimulating and thought-provoking. Lecturers in physics and chemistry will be excited by many fresh ideas and topics, insightful explanations, and new approaches. Graduate students will benefit from its lucid reasoning and its coherent approach, as well as from the chem12physof mathematical techniques, derivations, and computer algorithms.

The title'Nano Biotechnology for Biomedical and Diagnostics Research'will address research aspects related to nanomaterial in imaging and biological research, nanomaterials as a biosensing tool, DNA nanotechnology, nanomaterials for drug delivery, medicinal and therapeutic application and cytotoxicity of nanomaterials. These topics will be covered by 16 different manuscripts. Amongst the authors that will contribute to the book are major scientific leaders such as S. Weiss - UCLA, I. Willner, and G. Golomb – HUJI, S. Esener - UCSD, E.C. Simmel - Tech. Univ. Munchen, I. Medintz – NRL, N. Hildebrandt - Université Paris and more. The manuscripts in the book intend to present specifically biological, diagnostics and medical problems with their potential solution by nano technology or materials. In this respect this book is unique, since it would arise from the biological problems to the nano technology possible solution and not vice versa.

This book is about thin films; what they are, how they are prepared, how they are characterized, and what they are used for. The contents of this book not only showcase the diversity of thin films, but also reveals the commonality among the work performed in a variety of areas. The chapters in this volume are based on invited papers presented by prominent researchers in the field at a Symposium on'Thin Films: Preparation, Characterization, Applications'at the 221st National Meeting of the American Chemical Society held in San Diego, California. The coverage of the symposium was extensive; topics ranged from highly-ordered metal adlayers on well-defined electrode surfaces to bio-organic films on non-metallic nanoparticles. An objective of this book is for the readers to be able to draw from the experience and results of others in order to improve and expand the understanding of the science and technology of their own thin films systems.

This dissertation contributes to the understanding of fundamental issues in the highly interdisciplinary field of colloidal science. Beyond colloid science, the system also serves as a model for studying interactions in biological matter. This work quantitatively investigated the scaling laws of the characteristic lengths of the structuring of colloidal dispersions and tested the generality of these laws, thereby explaining and resolving some long-standing contradictions in literature. It revealed the effect of confinement on the structuring, independently of specific properties of the confining interfaces. In addition, it resolved the influence of roughness and charge of the confining interfaces on the structuring and as well providing a method to measure the effect of surface deformability on colloidal structuring.

The theory of simple and complex fluids has made considerable recent progress, due to the emergence of new concepts and theoretical tools, and also to the availability of a large body of new experimental data on increas­ ingly complex systems, as well as far-reaching methodological developments in numerical simulations. This AS! aimed at providing a comprehensive overview of the most significant theoretical developments, supplemented by a few presentations of cutting-edge simulation and experimental work. The impact of the Institute in the overall landscape of Statistical Mechanics received an important recognition with its inclusion in the list of satellite events of STATPHYS20, the triennal international conference on Statistical Physics held in Paris in July 1998. These Proceedings contain the texts of the 13 Lecture Courses and 9 Invited Seminars delivered at Patti. Two clear trends emerge from these Proceedings: first, the diversity of new and unexpected theoretical results relating to classic models of liq­ uids, which have recently been subjected to fresh scrutiny; and secondly the parallel emergence of new concepts, models and methods, aimed at investigating complex fluids and phenomena, like the phase behaviour of fluids in pores, macromolecular assemblies, and the glass transition. Many of the new tools have their roots in traditional liquid state theory, and, in conjunction with fresh input from related fields, allow it wider applicability.

This volume represents the proceedings of the Ninth Annual MaxEnt Workshop, held at Dartmouth College in Hanover, New Hampshire, on August 14-18, 1989. These annual meetings are devoted to the theory and practice of Bayesian Probability and the Maximum Entropy Formalism. The fields of application exemplified at MaxEnt'89 are as diverse as the foundations of probability theory and atmospheric carbon variations, the 1987 Supernova and fundamental quantum mechanics. Subjects include sea floor drug absorption in man, pressures, neutron scattering, plasma equilibrium, nuclear magnetic resonance, radar and astrophysical image reconstruction, mass spectrometry, generalized parameter estimation, delay estimation, pattern recognition, heave responses in underwater sound and many others. The first ten papers are on probability theory, and are grouped together beginning with the most abstract followed by those on applications. The tenth paper involves both Bayesian and MaxEnt methods and serves as a bridge to the remaining papers which are devoted to Maximum Entropy theory and practice. Once again, an attempt has been made to start with the more theoretical papers and to follow them with more and more practical applications. Papers number 29, 30 and 31, by Kesaven, Seth and Kapur, represent a somewhat different, perhaps even'unorthodox'viewpoint, and are included here even though the editor and, indeed many in the audience at Dartmouth, disagreed with their content. I feel that scientific disagreements are essential in any developing field, and often lead to a deeper understanding.

First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes, by A. Jaramillo-Botero, R. Nielsen, R. Abrol, J. Su, T. Pascal, J. Mueller and W. A. Goddard.- Dynamic QM/MM: A Hybrid Approach to Simulating Gas–Liquid Interactions, by S. Yockel and G. C. Schatz.- Multiscale Modelling in Computational Heterogeneous Catalysis, by F. J. Keil.- Real-World Predictions from Ab Initio Molecular Dynamics Simulations, by B. Kirchner, P. J. di Dio and J. Hutter.- Nanoscale Wetting Under Electric Field from Molecular Simulations, by C. D. Daub, D. Bratko and A. Luzar.- Molecular Simulations of Retention in Chromatographic Systems: Use of Biased Monte Carlo Techniques to Access Multiple Time and Length Scales, by J. L. Rafferty, J. I. Siepmann, M. R. Schure.- Thermodynamic Properties for Applications in Chemical Industry via Classical Force Fields, by G. Guevara-Carrion, H. Hasse and J. Vrabec.- Multiscale Approaches and Perspectives to Modeling Aqueous Electrolytes and Polyelectrolytes, by L. Delle Site, C. Holm and N. F. A. van der Vegt.- Coarse-Grained Modeling for Macromolecular Chemistry, by H. A. Karimi-Varzaneh and F. Müller-Plathe.-

Catalysis in Electrochemistry: From Fundamental Aspects to Strategies for Fuel Cell Development is a modern, comprehensive reference work on catalysis in electrochemistry, including principles, methods, strategies, and applications. It points out differences between catalysis at gas/surfaces and electrochemical interfaces, along with the future possibilities and impact of electrochemical science on energy problems. This book contributes both to fundamental science; experience in the design, preparation, and characterization of electrocatalytic materials; and the industrial application of electrocatalytic materials for electrochemical reactions. This is an essential resource for scientists globally in academia, industry, and government institutions.

This volume analyzes and summarizes recent developments and breakthroughs in several key interfacial electrochemical systems in fuel cell electrocatatalysis. The chapters are written by internationally recognized experts or rising stars in electrocatatalysis addressing both the fundamental and practical aspects of several emerging key electrochemical technologies.

Despite the fact that chemical applications of ultrasound are now widely acknowledged, a detailed presentation of inorganic systems covering nano-particles, catalysis, aqueous chemistry of metallic solutions and their redox characteristics, both from a theoretical and experimental perspective has eluded researchers of this field.Theoretical and Experimental Sonochemistry Involving Inorganic Systems fills this gap and presents a concise and thorough review of this fascinating area of Sonochemistry in a single volume.

The ideal addition to the companion volume on fundamentals, methodologies, and applications, this second volume combines fundamental information with an overview of the role of ceramic membranes, electrodes and interfaces in this important, interdisciplinary and rapidly developing field. Written primarily for specialists working in solid state electrochemistry, this first comprehensive handbook on the topic focuses on the most important developments over the last decade, as well as the methodological and theoretical aspects and practical applications. This makes the contents equally of interest to material, physical and industrial scientists, and to physicists. Also available as a two-volume set.

Reflecting a rich technical and interdisciplinary exchange of ideas, Water and Life: The Unique Properties of H20 focuses on the properties of water and its interaction with life. The book develops a variety of approaches that help to illuminate ways in which to address deeper questions with respect to the nature of the universe and our place withi

This systematic introduction to the topic includes theoretical concepts to help readers understand and predict surface forces, while also integrating experimental techniques and practical applications with up-to-date examples plus motivating exercises. Starting with intermolecular forces, the authors discuss different surfaces forces, with a major part devoted to surface forces between solid surfaces in liquid media. In addition, they cover surface forces between liquid-vapor interfaces and between liquid-liquid interfaces.

Integrating fundamental research with the technical applications of this rapidly evolving field, Structure and Functional Properties of Colloidal Systems clearly presents the connections between structure and functional aspects in colloid and interface science. It explores the physical fundamentals of colloid science, new developments of synthesis

Ions are ubiquitous in chemical, technological, ecological and biological processes. Characterizing their role in these processes in the first place requires the evaluation of the thermodynamic parameters associated with the solvation of a given ion. However, due to the constraint of electroneutrality, the involvement of surface effects and the ambiguous connection between microscopic and macroscopic descriptions, the determination of single-ion solvation properties via both experimental and theoretical approaches has turned out to be a very difficult and highly controversial problem. This unique book provides an up-to-date, compact and consistent account of the research field of single-ion solvation thermodynamics that has over one hundred years of history and still remains largely unsolved. By reviewing the various approaches employed to date, establishing the relevant connections between single-ion thermodynamics and electrochemistry, resolving conceptual ambiguities, and giving an exhaustive data compilation (in the context of alkali and halide hydration), this book provides a consistent synthesis, in depth understanding and clarification of a large and sometimes very confusing research field. The book is primarily aimed at researchers (professors, postgraduates, graduates, and industrial researchers) concerned with processes involving ionic solvation properties (these are ubiquitous, eg. in physical/organic/analytical chemistry, electrochemistry, biochemistry, pharmacology, geology, and ecology). Because of the concept definitions and data compilations it contains, it is also a useful reference book to have in a university library. Finally, it may be of general interest to anyone wanting to learn more about ions and solvation. Key features: - discusses both experimental and theoretical approaches, and establishes the connection between them - provides both an account of the past research (covering over one hundred years) and a discussion of current directions (in particular on the theoretical side) - involves a comprehensive reference list of over 2000 citations - employs a very consistent notation (including table of symbols and unambiguous definitions of all introduced quantities) - provides a discussion and clarification of ambiguous concepts (ie. concepts that have not been defined clearly, or have been defined differently by different authors, leading to confusion in past literature) - encompasses an exhaustive data compilation (in the restricted context of alkali and halide hydration), along with recommended values (after critical analysis of this literature data) - is illustrated by a number of synoptic colour figures, that will help the reader to grasp the connections between different concepts in one single picture

Colloidal systems are important across a range of industries, such as the food, pharmaceutical, agrochemical, cosmetics, polymer, paint and oil industries, and form the basis of a wide range of products (eg cosmetics & toiletries, processed foodstuffs and photographic film). A detailed understanding of their formation, control and application is required in those industries, yet many new graduate or postgraduate chemists or chemical engineers have little or no direct experience of colloids. Based on lectures given at the highly successful Bristol Colloid Centre Spring School, Colloid Science: Principles, Methods and Applications provides a thorough introduction to colloid science for industrial chemists, technologists and engineers. Lectures are collated and presented in a coherent and logical text on practical colloid science.

This is the first book on interfacial rheology. It aims to describe both its history as well as the current, most frequently used experimental techniques for studying dilational and shear rheology of layers at liquid/gas and liquid/liquid interfaces. The book opens with a chapter on the fundamentals of interfacial rheology. All (16) contributions i

For centuries, electrochemistry has played a key role in technologically important areas such as electroplating or corrosion. In recent decades, electrochemical methods are receiving increasing attention in important strongly growing fields of science and technology such as nanosciences (nanoelectrochemistry) and life-sciences (organic and biological electrochemistry). Characterization, modification and understanding of various electrochemical interfaces or electrochemical processes at the nanoscale, has led to a huge increase of the scientific interest in electrochemical mechanisms as well as of application of electrochemical methods in novel technologies. This book presents exciting emerging scientific and technological aspects of the introduction of the nanodimension in electrochemical approaches are presented in 12 chapters/subchapters.

The Most Detailed Resource Available on Points of Zero ChargeWith their work growing in complexity, chemists involved with surface phenomena-related projects have outgrown the common resources available to them on points of zero charge (PZC) of oxides. Reporting on a limited number of materials in a limited number of scenarios, these resources ofte

Computational studies on fuel cell-related issues are increasingly common. These studies range from engineering level models of fuel cell systems and stacks to molecular level, electronic structure calculations on the behavior of membranes and catalysts, and everything in between. This volume explores this range. It is appropriate to ask what, if anything, does this work tell us that we cannot deduce intuitively? Does the emperor have any clothes? In answering this question resolutely in the affirmative, I will also take the liberty to comment a bit on what makes the effort worthwhile to both the perpetrator(s) of the computational study (hereafter I will use the blanket terms modeler and model for both engineering and chemical physics contexts) and to the rest of the world. The requirements of utility are different in the two spheres. As with any activity, there is a range of quality of work within the modeling community. So what constitutes a useful model? What are the best practices, serving both the needs of the promulgator and consumer? Some of the key com- nents are covered below. First, let me provide a word on my ‘credentials'for such commentary. I have participated in, and sometimes initiated, a c- tinuous series of such efforts devoted to studies of PEMFC components and cells over the past 17 years. All that participation was from the experim- tal, qualitative side of the effort.