This volume is meant as an introductory resource aimed at practitioners of electrochemistry research, technology and development mainly at the atomic, molecular or macromolecular levels. Emphasis is placed at length scales in the 1-100 nm range.

The aim of the volume is to help provide understanding of electrochemical phenomena and materials at the nanoscale through modeling and numeric simulations. It is also designed to serve as a means to create and use structures.

This book presents recent research on Advanced Computing in Industrial Mathematics, which is one of the most prominent interdisciplinary areas and combines mathematics, computer science, scientific computations, engineering, physics, chemistry, medicine, etc. Further, the book presents the tools of Industrial Mathematics, which are based on mathematical models, and the corresponding computer codes, which are used to perform virtual experiments to obtain new data or to better understand the existing experimental results. The book gathers the peer-reviewed papers presented during the 10th Annual Meeting of the Bulgarian Section of SIAM (BGSIAM) from December 21 to 22, 2015 in Sofia, Bulgaria.

The second edition of this textbook includes refined text in each chapter, new sections on corrosion of steel-reinforced concrete and on cathodic protection of steel reinforced bars embedded in concrete, and some new solved examples. The book introduces mathematical and engineering approximation schemes for describing the thermodynamics and kinetics of electrochemical systems, which are the essence of corrosion science, in addition to electrochemical corrosion, forms of corrosion and mechanisms of corrosion. This approach should capture the reader's attention on the complexity of corrosion. Thus, the principles of electrochemistry and electrochemical cells are subsequently characterized in simple electrolytes from a thermodynamics point of view.

-Encapsulation by Miniemulsion Polymerization By K. Landfester and C. K. Weiss -Enzyme-Encapsulated Layer-by-Layer Assemblies: Current Status and Challenges Toward Ultimate Nanodevices By K. Ariga, Q. Ji, and J. P. Hill -Non-LBL Assembly and Encapsulation Uses 1 of Nanoparticle-Shelled Hollow Spheres 2 By G.C. Kini, S. L. Biswal, and M. S. Wong -Polymersomes: A Synthetic Biological Approach to Encapsulation and Delivery By M. Massignani, H. Lomas, and G. Battaglia -Reaction Vessels Assembled by the Sequential Adsorption of Polymers By A.D. Price, A.P.R. Johnston, G.K. Such, and F. Caruso

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves of major developments in the area. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis. Current subject areas covered are Amino Acids, Peptides and Proteins, Carbohydrate Chemistry, Catalysis, Chemical Modelling. Applications and Theory, Electron Paramagnetic Resonance, Nuclear Magnetic Resonance, Organometallic Chemistry. Organophosphorus Chemistry, Photochemistry and Spectroscopic Properties of Inorganic and Organometallic Compounds. From time to time, the series has altered according to the fluctuating degrees of activity in the various fields, but these volumes remain a superb reference point for researchers.

This book is written for scientists involved in the calibration of viscometers. A detailed description for stepping up procedures to establish the viscosity scale and obtaining sets of master viscometers is given in the book. Uncertainty considerations for standard oils of known viscosity are presented. The modern viscometers based on principles oftuning fork, ultrasonic, PZT, plate waves, Love waves, micro-cantilever and vibration of optical fiber are discussed to inspire the reader to further research and to generate improved versions. The primary standard for viscosity is pure water. Measurements of its viscosity with accuracy/uncertainty achieved are described. The principles of rotational and oscillation viscometers are explained to enhance the knowledge in calibration work. Devices used for specific materials and viscosity in non SI units are discussed with respect to the need to correlate viscosity values obtained by various devices. The description of commercial viscometers meets the needs of the user."

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.

The intention of this and the next volume in this series is to present the latest developments in the field of energy deposition as it is actually viewed by many of the major researchers working in this area. It is hard to incorporate all of the important players and all of the topics related to energy deposition in the limited space available; however the editors have tried to present the state of the art as it is now.
- High quality and thorough reviews of various aspects of quantum chemistry

The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed. Review articles for the individual volumes are invited by the volume editors

In this volume expert researchers in the field detail the operations of microchip capillary electrophoresis. Chapters focus on small molecule, biomolecule applications, various detection modes, and sample preparation approaches are described. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and key tips on troubleshooting and avoiding known pitfalls. Authoritative and practical, Microchip Capillary Electrophoresis Protocol aids scientists in continuing to study microchip capillary electrophoresis.

Studies in Natural Products Chemistry, Volume 10: Stereoselective Synthesis (Part F) is a collection of articles about studies on important organic molecules. The book covers studies such as that on the synthesis of cembranes as well as its natural occurrence and bioactivity; the stereoselective synthesis of Vitamin D; the synthesis of isoquinolinequinone antibiotics; and the nucleophilic addition chemistry of polyunsaturated carbonyl compounds. Also covered in the book are subjects such as developments in the synthesis of medium ring ethers; the biological properties, chemistry, and synthesis of didemnins; and natural products synthesis based on novel ring transformation. The text is recommended for organic chemists who would like to know more about the progresses in the study of important organic molecules and their implications in different fields.

Using an in situ transmission electron microscopy (TEM) approach to investigate the growth mechanism of carbon nanotubes (CNTs) as well as the fabrication and properties of CNT-clamped metal atomic chains (MACs) is the focus of the research summarized in this thesis. The application of an in situ TEM approach in the above-mentioned research provides not only real-time observation but also monitored machining and structural evolvement at the atomic level. In this thesis, the author introduces a CNT tubular nano furnace that can be operated under TEM for investigation of the CNT nucleation mechanism. By studying the nucleation process of CNTs in the presence of various catalysts, including iron-based metallic catalysts and silicon oxide-based non-metallic catalysts, the physical states of the catalysts as well as the nucleation and growth process of CNTs are revealed. Based on the understanding of the nucleation mechanism, the author proposes a hetero-epitaxial growth strategy of CNTs from boron nitride, which provides a new route for the controllable growth of CNTs. In addition, the author presents an electron beam-assisted nanomachining technique and the fabrication of a CNT-clamped MAC prototype device based on this technique. The formation process of CNT-clamped Fe atomic chains (ACs) can be monitored with atomic resolution. The demonstrated quantized conductance and uninfluenced half-metallic properties of Fe ACs indicate that CNTs can be promising nanoscale electrodes or interconnectors for the linking and assembly of nano and subnano structures.

Juan I. Padron and Victor S. Martin: Catalysis by means of Fe-based Lewis acids; Hiroshi Nakazawa*, Masumi Itazaki: Fe-H Complexes in Catalysis; Kristin Schroder, Kathrin Junge, Bianca Bitterlich, and Matthias Beller: Fe-catalyzed Oxidation Reactions of Olefins, Alkanes and Alcohols: Involvement of Oxo- and Peroxo Complexes; Chi-Ming Che, Cong-Ying Zhou, Ella Lai-Ming Wong: Catalysis by Fe=X Complexes (X=NR, CR2); Rene Peters, Daniel F. Fischer and Sascha Jautze: Ferrocene and Half Sandwich Complexes as Catalysts with Iron Participation; Markus Jegelka, Bernd Plietker: Catalysis by Means of Complex Ferrates."

This book is a beginners introduction to chemical thermodynamics for engineers.
In the textbook efforts have been made to visualize as clearly as possible the main concepts of thermodynamic quantities such as enthalpy and entropy, thus making them more perceivable. Furthermore, intricate formulae in thermodynamics have been discussed as functionally unified sets of formulae to understand their meaning rather than to mathematically derive them in detail.
In this textbook, the affinity of irreversible processes, defined by the second law of thermodynamics, has been treated as the main subject, rather than the equilibrium of chemical reactions. The concept of affinity is applicable in general not only to the processes of chemical reactions but also to all kinds of irreversible processes.
This textbook also includes electrochemical thermodynamics in which, instead of the classical phenomenological approach, molecular science provides an advanced understanding of the reactions of charged particles such as ions and electrons at the electrodes.
Recently, engineering thermodynamics has introduced a new thermodynamic potential called exergy, which essentially is related to the concept of the affinity of irreversible processes. This textbook discusses the relation between exergy and affinity and explains the exergy balance diagram and exergy vector diagram applicable to exergy analyses in chemical manufacturing processes.
This textbook is written in the hope that the readers understand in a broad way the fundamental concepts of energy and exergy from chemical thermodynamics in practical applications. Finishing this book, the readers may easily step forward further into an advanced text of their specified line.
- Visualizes the main concepts of thermodynamics to show the meaning of the quantities and formulae.
- Focuses mainly on the affinity of irreversible processes and the related concept of exergy.
- Provides an advanced understanding of electrochemical thermodynamics.

This work establishes linear-scaling density-functional theory (DFT) as a powerful tool for understanding enzyme catalysis, one that can complement quantum mechanics/molecular mechanics (QM/MM) and molecular dynamics simulations. The thesis reviews benchmark studies demonstrating techniques capable of simulating entire enzymes at the ab initio quantum-mechanical level of accuracy. DFT has transformed the physical sciences by allowing researchers to perform parameter-free quantum-mechanical calculations to predict a broad range of physical and chemical properties of materials. In principle, similar methods could be applied to biological problems. However, even the simplest biological systems contain many thousands of atoms and are characterized by extremely complex configuration spaces associated with a vast number of degrees of freedom. The development of linear-scaling density-functional codes makes biological molecules accessible to quantum-mechanical calculation, but has yet to resolve the complexity of the phase space. Furthermore, these calculations on systems containing up to 2,000 atoms can capture contributions to the energy that are not accounted for in QM/MM methods (for which the Nobel prize in Chemistry was awarded in 2013) and the results presented here reveal profound shortcomings in said methods.

This corrected and expanded printing of Thin Films on Glass describes the development of active and passive thin films on glass at Schott, including recent developments and new technologies in glass ceramic reflectors, coatings on plastics and optical multilayers for ultra narrow band pass filters. Design strategies, the use of conventional and newly developed production technologies, and the application of characterization methods for the structure of thin films and their properties are reported. The book is written by Schott experts and illustrates how the best film materials and deposition and processing parameters may be selected. The topics covered include flip-flop layers, wave-guiding films, Rugate filters and gradient devices, optical transducers, coatings, and mirrors.  

This thesis explores the dispersion stability, microstructure and phase transitions involved in the nanoclay system. It describes the recently discovered formation of colloidal gels via two routes: the first is through phase separation and second is by equilibrium gelation and includes the first reported experimental observation of a system with high aspect ratio nanodiscs. The phase behavior of anisotropic nanodiscs of different aspect ratio in their individual and mixed states in aqueous and hydrophobic media is investigated. Distinct phase separation, equilibrium fluid and equilibrium gel phases are observed in nanoclay dispersions with extensive aging. The work then explores solution behavior, gelation kinetics, aging dynamics and temperature-induced ordering in the individual and mixed states of these discotic colloids. Anisotropic ordering dynamics induced by a water-air interface, waiting time and temperature in these dispersions were studied in great detail along with aggregation behavior of nanoplatelets in hydrophobic environment of alcohol solutions.

Ionic Surfactants and Aqueous Solutions: Biomolecules, Metals and Nanoparticles covers a wide range of subjects related to aqueous systems, from reverse micelles as ion exchangers to the study of micellar phase transfer catalysis for nucleophilic substitution reactions. The diverse background, expertise and professional interests of the contributors to this book give to it a unique richness of approach in topics of relevance for biotechnology and environmental studies. Over sixty publications presenting research results are combined and expanded in this book by some of the original researchers. At a mature age, and at the summit of successful professional careers, they have taken a second look to the state of the art in the fields that they had pioneered. Eva Rodil and Ana Soto, who had their research formation in the group of Professor Alberto Arce at Universidade de Santiago de Compostela, Spain, are presently professors at that university, Maen Husein is a professor at University of Calgary, Canada. Remy Dumortier, Mohammad Khoshkbarchi, Hamid Rabie and Younok Dumortier Shin, are presently active leaders in the industrial world in Canada and the USA. The editors are retired academics from McGill University, Montreal, Canada, and coauthors of the book Classical Thermodynamics of Fluid Systems.

Fluorine chemistry is an expanding area of research that is attracting international interest, due to the impact of fluorine in drug discovery and in clinical and molecular imaging (e.g. PET, MRI). Many researchers and academics are entering this area of research, while scientists in industrial and clinical environments are also indirectly exposed to fluorine chemistry through the use of fluorinated compounds for imaging.This book provides an overview of the impact that fluorine has made in the life sciences. In the first section, the emphasis is on how fluorine substitution of amino acids, peptides, nucleobases and carbohydrates can provide invaluable information at a molecular level. The following chapters provide answers to the key questions posed on the importance of fluorine in drug discovery and clinical applications. For examples, the reader will discover how fluorine has found its place as a key element improving drug efficacy, with reference to some of the best-selling drugs on the market. Finally, a thorough review on the design, synthesis and use of 18F-radiotracers for positron emission tomography is provided, and this is complemented with a discussion on how 19F NMR has advanced molecular and clinical imaging.

This book starts with the most elementary ideas of molecular orbital theory and leads the reader progressively to an understanding of the electronic structure, geometry and, in some cases, reactivity of transition metal complexes. The qualitative orbital approach, based on simple notions such as symmetry, overlap and electronegativity, is the focus of the presentation and a substantial part of the book is associated with the mechanics of the assembly of molecular orbital diagrams. The first chapter recalls the basis for electron counting in transition metal complexes. The main ligand fields (octahedral, square planar, tetrahedral, etc.) are studied in the second chapter (sigma interactions) and the structure of the "d block" is used to trace the relationships between the electronic structure and the geometry of the complexes. The third chapter studies the change in analysis when the ligands have pi-type interactions with the metal. All these ideas are then used in the fourth chapter to study a series of selected applications of varying complexity (structure, reactivity). The fifth chapter deals with the "isolobal analogy" which points out the resemblance between the molecular orbitals of inorganic and organic species and provides a bridge between these two subfields of chemistry. The last chapter is devoted to a presentation of basic Group Theory with applications to some of the complexes studied in the earlier chapters.

This textbook, intended for advanced undergraduate and graduate students, is an introduction to the physical and mathematical principles used in clinical medical imaging. The first two chapters introduce basic concepts and useful terms used in medical imaging and the tools implemented in image reconstruction, while the following chapters cover an array of topics such as physics of x-rays and their implementation in planar and computed tomography (CT) imaging; nuclear medicine imaging and the methods of forming functional planar and single photon emission computed tomography (SPECT) images and Clinical imaging using positron emitters as radiotracers. The book also discusses the principles of MRI pulse sequencing and signal generation, gradient fields, and the methodologies implemented for image formation, form flow imaging and magnetic resonance angiography and the basic physics of acoustic waves, the different acquisition modes used in medical ultrasound, and the methodologies implemented for image formation and flow imaging using the Doppler Effect. By the end of the book, readers will know what is expected from a medical image, will comprehend the issues involved in producing and assessing the quality of a medical image, will be able to conceptually implement this knowledge in the development of a new imaging modality, and will be able to write basic algorithms for image reconstruction. Knowledge of calculus, linear algebra, regular and partial differential equations, and a familiarity with the Fourier transform and it applications is expected, along with fluency with computer programming. The book contains exercises, homework problems, and sample exam questions that are exemplary of the main concepts and formulae students would encounter in a clinical setting.

This book addresses the most important aspects of solid state physics, reviewing basic properties, related experimental techniques, and summarizing research over six decades. In addition, Micro- and Macro-Properties of Solids provides data on new materials such as rare-earth metals, semiconductors, ferroelectrics, mixed-valence compounds, superionic conductors, optical and optoelectronic materials and biomaterials.

Annual Reports in Computational Chemistry, Volume 15, provides timely and critical reviews of important topics in computational chemistry. Topics covered in this series 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.

This work represents one of the first comprehensive attempts to seamlessly integrate two highly active interdisciplinary domains in soft matter science - microfluidics and liquid crystals (LCs). Motivated by the lack of fundamental experiments, Dr. Sengupta initiated systematic investigation of LC flows at micro scales, gaining new insights that are also suggestive of novel applications. By tailoring the surface anchoring of the LC molecules and the channel dimensions, different topological constraints were controllably introduced within the microfluidic devices. These topological constraints were further manipulated using a flow field, paving the way for Topological Microfluidics. Harnessing topology on a microfluidic platform, as described in this thesis, opens up capabilities beyond the conventional viscous-dominated microfluidics, promising potential applications in targeted delivery and sorting systems, self-assembled motifs, and novel metamaterial fabrications.

Industrial and academic scientists face increasing challenges to find cost-effective and environmentally sound catalysts for a variety of applications. This volume provides a balanced and in-depth review of the modern approaches to some of these challenges covering major areas such as catalysts for green catalytic processes, research and development of hydrocracking catalysts, using nanoclusters as catalysts and preparation of foams.

This thesis focuses on the controlled synthesis of Pt-Ni bimetallic nanoparticles and the study of their catalytic properties. It discusses in detail the nucleation mechanism and the growth process of bimetallic systems, which is vital for a deeper understanding of the design of bimetallic catalysts. The author presents four pioneering studies: (1) syntheses of water-soluble octahedral, truncated octahedral, and cubic Pt-Ni nanocrystals and the study of their structure-activity relationship in model hydrogenation reactions; (2) a strategy for designing a concave Pt-Ni alloy using controllable chemical etching; (3) defect-dominated shape recovery of nanocrystals, which is a new synthesis strategy for trimetallic catalysts; (4) a sophisticated construction of Au islands on Pt Ni, which is an ideal trimetallic nanoframe catalyst. This thesis inspires researchers working in materials, catalysis as well as other interdisciplinary areas.