This book describes the dynamics of low molecular weight and polymeric molecules when they are constrained under conditions of geometrical confinement. It covers geometrical confinement in different dimensionalities:

(i) in nanometer thin layers or self supporting films ("1-dimensional" confinement)

(ii) in pores or tubes with nanometric diameters ("2-dimensional" confinement)

(iii) as micelles embedded in matrices ("3-dimensional") or as nanodroplets.The dynamics under such conditions have been a much discussed and central topic in the focus of intense worldwide research activities within the last two decades. The present book discusses how the resulting molecular mobility is influenced by the subtle counterbalance between surface effects (typically slowing down molecular dynamics through attractive guest/host interactions) and confinement effects (typically increasing the mobility). It also explains how these influences can be modified and tuned, e.g. through appropriate surface coatings, film thicknesses or pore diameters. ""Dynamics in Confinement"" sums up the present state-of-the-art and introduces to the analytical methods of choice for the study of dynamics in nanometer-scale confinement.

This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Volume 19 is centered on the theme of macroscopic modeling, and discusses topics such as: Monte Carlo simulation techniques, computing hydrophobicity, classical trajectory simulations within the Born-Oppenheimer approximation, and the theory behind the widely used Poisson-Boltzmann equation.

FROM REVIEWS OF THE SERIES

"Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."
–JOURNAL OF MOLECULAR GRAPHICS AND MODELLING

"One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."
–JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Key features: Organised and centred around analysis techniques, not traditional Mechanics and E&M. Presents a unified approach, in a different order, meaning that the same laboratories, equipment, and demonstrations can be used when teaching the course. Demonstrates to students that the analysis and concepts they are learning are critical to the understanding of biological systems.

Metal-Air Batteries: Principles, Progress, and Perspectives covers the entire spectrum of metal-air batteries, their working principles, recent advancement, and future perspectives. Leading international researchers address materials design, electrochemistry, and architectural aspects. The fundamentals of metal-air materials for cathode and anode, their synthetic approaches, chemistries to modify their properties to provide high energy and power densities, along with long life and stable electrochemical characteristics are detailed. Key Features: Covers materials, chemistry, and technologies for metal-air batteries. Reviews state-of-the-art progress and challenges in metal-air batteries Provides fundamentals of the electrochemical behavior of various metal-air batteries. Offers insight into tuning the properties of materials to make them suitable for metal-air batteries. Provides new direction and a better understanding to scientists, researchers, and students working in diverse fields. This is a unique offering and a valuable resource for a wide range of readers including those in academia and industries worldwide.

2D infrared (IR) spectroscopy is a cutting-edge technique, with applications in subjects as diverse as the energy sciences, biophysics and physical chemistry. This book introduces the essential concepts of 2D IR spectroscopy step-by-step to build an intuitive and in-depth understanding of the method. This unique book introduces the mathematical formalism in a simple manner, examines the design considerations for implementing the methods in the laboratory, and contains working computer code to simulate 2D IR spectra and exercises to illustrate involved concepts. Readers will learn how to accurately interpret 2D IR spectra, design their own spectrometer and invent their own pulse sequences. It is an excellent starting point for graduate students and researchers new to this exciting field. Computer codes and answers to the exercises can be downloaded from the authors' website, available at www.cambridge.org/9781107000056.

Describes extensively the design and microfabrication of nanosensors based on nanotechnological tools. Provides a wide range of bioplatforms based on e.g., carbon nanostructures and Describes extensively a large number of application as a part of Nanomaterial based biosensors.

Owing to their high-power density, long life and environmental compatibility, supercapacitors are emerging as one of the promising storage technologies but with challenges around energy and power requirements for specific applications. This book focusses on supercapacitors including details on classification, charge storage mechanisms, related kinetics, and thermodynamics. Materials used as electrodes, electrolytes and separators, and procedures followed, characterization methods and modeling are covered along with emphasis on related applications. Features: Provides an in-depth look at supercapacitors, including their working concepts, and design. Reviews detailed explanation of various characterization and modeling techniques. Give special focus to the application of supercapacitors in major areas of environmental as well as social importance. Covers Cyclic Voltammetry, Charging-Discharging Curves, and Electrochemical Impedance Spectroscopy as characterization techniques. Includes a detailed chapter on historical perspectives on evolution of supercapacitors. This book aims at researchers, and graduate students in materials science and engineering, nanotechnology, chemistry in batteries, and physics.

Provides understanding of the device architecture, electrode design, and pros-cons of classical supercapacitors Explains material design in the context of electrochemical energy storage Covers state-of-the-art quantum supercapacitor and technological challenges Describes advanced version of supercapacitor devices describing macro-to-micro scale devices and applications at different scales Include details of challenges and outline of future designs

This book is intended to serve as a textbook for advanced undergraduate and graduate students as well as professionals engaged in application of thermo-fluid science to the study of combustion. The relevant thermo-chemistry and thermo-physical data required for this study are provided in the 6 appendices along with appropriate curve-fit coefficients. To facilitate gradual learning, two chapters are devoted to thermodynamics of pure and gaseous mixture substances, followed by one chapter each on chemical equilibrium and chemical kinetics. This material when coupled with a dedicated chapter on understanding of equations governing transport of momentum, heat and mass in the presence of chemical reactions provides adequate grounding to undertake analysis of practical combustion equipment, of premixed and diffusion flames as well as of solid particle and liquid droplet combustion. The learnings from the aforementioned chapters are taken to a uniquely strong chapter on application case studies, some of which have special relevance for developing countries.

Lead-Acid Batteries for Future Automobiles provides an overview on the innovations that were recently introduced in automotive lead-acid batteries and other aspects of current research. Innovative concepts are presented, some of which aim to make lead-acid technology a candidate for higher levels of powertrain hybridization, namely 48-volt mild or high-volt full hybrids. Lead-acid batteries continue to dominate the market as storage devices for automotive starting and power supply systems, but are facing competition from alternative storage technologies and being challenged by new application requirements, particularly related to new electric vehicle functions and powertrain electrification.

Covers materials, chemistry, and technologies for nanowires. Covers the state-of-the-art progress and challenges in nanowires. Provides fundamentals of the electrochemical behavior of various electrochemical devices and sensors. Offers insights on tuning the properties of nanowires for many emerging applications. Provides new direction and understanding to scientists, researchers, and students.

This series provides the chemical physics community with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 111 continues to report recent advances with significant, up-to-date chapters by internationally-recognized researchers.

Describing non-equilibrium "cold" plasmas through a chemical physics approach, this book uses the state-to-state plasma kinetics, which considers each internal state as a new species with its own cross sections. Extended atomic and molecular master equations are coupled with Boltzmann and Monte Carlo methods to solve the electron energy distribution function. Selected examples in different applied fields, such as microelectronics, fusion, and aerospace, are presented and discussed including the self-consistent kinetics in RF parallel plate reactors, the optimization of negative ion sources and the expansion of high enthalpy flows through nozzles of different geometries.

The book will cover the main aspects of the state-to-state kinetic approach for the description of nonequilibrium cold plasmas, illustrating the more recent achievements in the development of kinetic models including the self-consistent coupling of master equations and Boltzmann equation for electron dynamics. To give a complete portrayal, the book will assess fundamental concepts and theoretical formulations, based on a unified methodological approach, and explore the insight in related scientific problems still opened for the research community.

This thesis presents a series of experimental techniques based on scanning probe microscopy, which make it possible access the degree of freedom of protons both in real and energy space. These novel techniques and methods allow direct visualization of the concerted quantum tunneling of protons within the hydrogen-bonded network and quantification of the quantum component of a single hydrogen bond at a water-solid interface for the first time. Furthermore, the thesis demonstrates that the anharmonic quantum fluctuations of hydrogen nuclei further weaken the weak hydrogen bonds and strengthen the strong ones. However, this trend was reversed when the hydrogen bond coupled to the local environment. These pioneering findings substantially advance our understanding of the quantum nature of H bonds at the molecular level.

The field of cluster sciences is currently attracting considerable interest, not only from a fundamental viewpoint but also in relation to future applications to electronic, optical and magnetic devices. Synthesizing specific clusters as a component of useful nanostructures or controlling them as an assembly of nanocomposites is the ultimate aim. In order to understand how to synthesize individual clusters or to investigate properties such as chemical reaction, structural stability, response to external fields, aggregation and phase transitions, a variety of first-principles and empirical calculations and related computer simulations have been performed alongside numerous experiments. This book compiles and collates recent theoretical and experimental advances in the field and demonstrates how the harmony between theory and experiment is contributing to the continuing rapid progress. It will be of interest to both researchers as well as students and newcomers seeking an up-to-date review.

The sixth edition of this highly successful textbook provides a detailed introduction to Monte Carlo simulation in statistical physics, which deals with the computer simulation of many-body systems in condensed matter physics and related fields of physics and beyond (traffic flows, stock market fluctuations, etc.). Using random numbers generated by a computer, these powerful simulation methods calculate probability distributions, making it possible to estimate the thermodynamic properties of various systems. The book describes the theoretical background of these methods, enabling newcomers to perform such simulations and to analyse their results. It features a modular structure, with two chapters providing a basic pedagogic introduction plus exercises suitable for university courses; the remaining chapters cover major recent developments in the field. This edition has been updated with two new chapters dealing with recently developed powerful special algorithms and with finite size scaling tools for the study of interfacial phenomena, which are important for nanoscience. Previous editions have been highly praised and widely used by both students and advanced researchers.

This book presents a range of fundamentally new approaches to solving problems involving traditional molecular models. Fundamental molecular symmetry is shown to open new avenues for describing molecular dynamics beyond standard perturbation techniques. Traditional concepts used to describe molecular dynamics are based on a few fundamental assumptions, the ball-and-stick picture of molecular structure and the respective perturbative treatment of different kinds of couplings between otherwise separate motions. The book points out the conceptual limits of these models and, by focusing on the most essential idea of theoretical physics, namely symmetry, shows how to overcome those limits by introducing fundamentally new concepts. The book begins with an introduction to molecular symmetry in general, followed by a discussion of nuclear spin symmetry. Here, a new correlation between identical particle exchange and spin angular momentum symmetry of nuclei is exhibited. The central part of the book is the discussion of extremely floppy molecules, which are not describable in the framework of traditional theories. The book introduces a fundamentally new approach to describing the molecular dynamics of these molecules - the super-rotor model, which is based on a five-dimensional symmetry that has never been observed in molecules before. By applying the super-rotor theory to the prototype of floppy molecules, protonated methane, this model can consistently predict the symmetry and energy of low-energy states, which were characterized experimentally only a few years ago. The theoretical predictions agree with the experimental results, which makes the prospect of further developing the super-rotor theory and applying it to other molecules a promising one. In the final section, the book also covers the topic of ultrafast rotations, where usual quantum calculations reach their natural limits. A semi-classical method for determining rotational energies, developed in the early 1990s, is shown to be attachable to quantum calculations of the vibrational states. This new combined method is suitable for efficiently calculating ro-vibrational energies, even for molecular states with large angular momentum.

This book describes the ultra-short laser–matter interactions from the subtle atomic motion to the generation of extreme pressures inside the bulk of a transparent crystal. It is the successor to Femtosecond Laser–Matter Interactions: Theory, Experiment and Applications (2011). Explanation and experimental verification of the exceptional technique for the phase transformations under high pressure are in the core of the book. The novel phase formation occurs along the unique solid-plasmasolid transformation path: the memory of the initial state is lost after conversion to plasma. New phase forms from chaos during the cooling to the ambient. The pressure-affected material remains detained inside a pristine crystal at the laboratory tabletop. Unique super-dense aluminium and new phases of silicon were created by the confined micro-explosions. The text also describes the recent studies that used the quasi-non-diffracting Bessel beams. The applications comprise the new high-pressure material formation and micromachining. The book is an appealing source for readers interested in the cutting-edge research exploring extreme conditions and creating nanostructures at the laboratory tabletop.

Plasma methods that effectively combine ultraviolet radiation, active chemicals, and high electric fields offer an alternative to conventional water treatment methods. However, knowledge of the electric breakdown of liquids has not kept pace with this increasing interest, mostly due to the complexity of phenomena related to the plasma breakdown process. Plasma Discharge in Liquid: Water Treatment and Applications provides engineers and scientists with a fundamental understanding of the physical and chemical phenomena associated with plasma discharges in liquids, particularly in water. It also examines state-of-the-art plasma-assisted water treatment technologies. The Physics & Applications of Underwater Plasma Discharges The first part of the book describes the physical mechanism of pulsed electric breakdown in water and other liquids. It looks at how plasma is generated in liquids and discusses the electronic and bubble mechanism theories for how the electric discharge in liquid is initiated. The second part of the book focuses on various water treatment applications, including: Decontamination of volatile organic compounds and remediation of contaminated water Microorganism sterilization and other biological applications Cooling water treatment Drawing extensively on recent research, this one-stop reference combines the physics and applications of electric breakdown in liquids in a single volume. It offers a valuable resource for scientists, engineers, and students interested in the topic of plasmas in liquids.

Perturbation theory is a powerful tool for solving a wide variety of problems in applied mathematics, a tool particularly useful in quantum mechanics and chemistry. Although most books on these subjects include a section offering an overview of perturbation theory, few, if any, take a practical approach that addresses its actual implementation Introduction to Perturbation Theory in Quantum Mechanics does. It collects into a single source most of the techniques for applying the theory to the solution of particular problems. Concentrating on problems that allow exact analytical solutions of the perturbation equations, the book resorts to numerical results only when necessary to illustrate and complement important features of the theory. The author also compares different methods by applying them to the same models so that readers clearly understand why one technique may be preferred over another. Demonstrating the application of similar techniques in quantum and classical mechanics, Introduction to Perturbation Theory in Quantum Mechanics reveals the underlying mathematics in seemingly different problems. It includes many illustrative examples that facilitate the understanding of theoretical concepts, and provides a source of ideas for many original research projects.

The "flipped classroom" has become the new buzzword not only among educators but also in the general public, with articles in the USA Today, Washington Post, and The New York Times discussing this pedagogical approach. Simply stated, the flipped classroom is a high tech variation on a pedagogical method that has been around for generations. The time honored Socratic method aims to actively engage students with instructors asking them questions, leading them down a path where they are encouraged to see the connections between ideas. Additionally, flipped classrooms resemble the Thayer method, which expects students to take responsibility for their own learning by studying material before it is covered in class. Chemistry professors who teach in flipped classrooms embrace a variety of learning theories to guide their implementations. Most chemists who use active learning approaches in their classrooms value some aspect of constructivism theory, in which learners must begin their understanding of the concepts in their pre-class assignments. Later, students apply the concepts in class using active learning methods. For this book, the authors define the flipped classroom as one where students gain exposure to course content before class and the face-to-face time involves active learning. The call for and relevance of larger reform efforts in chemical education is not new and this book represents a continuation in the possibilities in achieving reform and meeting the goals of improving students' knowledge of chemistry. Muzyka and Luker provide a deeper, more encompassing picture of the cognitive and affective benefits of this pedagogy.

Electrochemistry of Porous Materials describes essential theoretical aspects of the electrochemistry of nanostructured materials and primary applications, incorporating the advances in the field in the last ten years including recent theoretical formulations and the incorporation of novel materials. Concentrating on nanostructured micro- and mesoporous materials, the highly anticipated Second Edition offers a more focused and practical analysis of key porous materials considered relatively homogeneous from an electrochemical point of view. The author details the use of electrochemical methods in materials science for characterization and their applications in the fields of analysis, energy production and storage, environmental remediation, and the biomedical arena. Additional features include: Incorporates new theoretical advances in the voltammetry of porous materials and multiphase porous electrochemistry. Includes new developments in sensing, energy production and storage, degradation of pollutants, desalination and drug release. Describes redox processes for different porous materials, assessing their electrochemical applications. Written at an accessible and understandable level for researchers and graduate students working in the field of material chemistry. Selective and streamlined, Electrochemistry of Porous Materials, Second Edition culls a wide range of relevant and practically useful material from the extensive literature on the subject, making it an invaluable reference for readers of all levels of understanding.

Macroscopic cellular structures and functions are generally investigated using biological and biochemical approaches. But these methods are no longer adequate when one needs to penetrate deep into the small-scale structures and understand their functions. The cell is found to hold various physical structures, molecular machines, and processes that require physical and mathematical approaches to understand and indeed manipulate them. Disorders in general cellular compartments, perturbations in single molecular structures, drug distribution therein, and target specific drug-binding, etc. are mostly physical phenomena. This book will show how biophysics has revolutionized our way of addressing the science and technology of nanoscale structures of cells, and also describes the potential for manipulating the events that occur in them.

Giant vesicles or giant liposomes are supramolecular assembles of amphiphiles, surface active substances which normally contain one or two hydrophobic chains and one hydrophilic head. Due to their relatively large size, giant vesicles are easily observed by light microscopy. This volume provides an overview of ideas and results obtained from experimental studies as well as theoretical approaches. A wide variety of aspects ranging from pure mathematics and physical considerations to biochemical and biological applications are covered. Historical and fundamental aspects are discussed as well as a range of experimental approaches including the micromanipulation and micro-puncturing of single giant vesicles. 87 international contributors comment on a wide range of issues contained under the five main part headings: Introduction Preparation Methods Basic Theoretical Aspects Physical Properties Chemical and Biological Aspects. Giant Vesicles has been written for researchers in the fields of chemistry, biochemistry and biophysics, working in supra-molecular chemistry, surfactant science, liposome and pharmaceutical sciences.