Demystifying Explosives: Concepts in High Energy Materials explains the basic concepts of and the science behind the entire spectrum of high energy materials (HEMs) and gives a broad perspective about all types of HEMs and their interrelationships. Demystifying Explosives covers topics ranging from explosives, deflagration, detonation, and pyrotechnics to safety and security aspects of HEMS, looking at their aspects, particularly their inter-relatedness with respect to properties and performance. The book explains concepts related to the molecular structure of HEMs, their properties, performance parameters, detonation and shock waves including explosives and propellants. The theory-based title also deals with important (safety and security) and interesting (constructive applications) aspects connected with HEMs and is of fundamental use to students in their introduction to these materials and applications.

Particle formation with supercritical fluids is a promising alternative to conventional precipitation processes as it allows the reduction of particle size and control of morphology and particle size distribution without degradation or contamination of the product. The book comprehensively examines the current status of research and development and provides perspectives and insights on promising future directions. The introduction to high pressure and high temperature phase equilibria and nucleation phenomena provides the basic principles of the underlying physical and chemical phenomena, allowing the reader an understanding of the relationship between process conditions and particle characteristics. Bridging the gap between theory and application, the book imparts the scientific and engineering fundamentals for innovative particle formation processes. The interdisciplinary "modus operandi" will encourage cooperation between scientists and researchers from different but complementary disciplines.

Advances in Physical Organic Chemistry provides the chemical community with authoritative and critical assessments of the many aspects of physical organic chemistry. The field is a rapidly developing one, with results and methodologies finding application from biology to solid-state physics.

This book deals with functional materials that are in the frontiers of current materials science and technology research, development and manufacture. The first of its kind, it deals with three classes of materials, (1) magnetic semiconductors, (2) multiferroics, and (3) graphene. Because of the wide popularity of these materials there isa strong need for a book about these materials for graduate students, new researchers in science and technology, as well as experienced scientists and technologists, technology based companies and government institutes for science and technology. Thebook will provide this broad audience with both theoretical and experimental understanding to help in technological advances in the development of devices and related new technologies based on these very interesting and novel materials.
Covers both the theoretical and experimental aspects of advanced functional materials, which are important for use in a number of rapidly developing novel technological devices Includes excellent coverage of three of the leading advanced functional materialsEdited by a leading expert at the forefront of advanced functional materials research "

Organic Structure Determination Using 2-D NMR Spectroscopy: A Problem-Based Approach, Second Edition, is a primary text for a course in two-dimensional (2-D) nuclear magnetic resonance (NMR) techniques, with the goal to learn to identify organic molecular structure. It presents strategies for assigning resonances to known structures and for deducing structures of unknown organic molecules based on their NMR spectra. The book begins with a discussion of the NMR technique, while subsequent chapters cover instrumental considerations; data collection, processing, and plotting; chemical shifts; symmetry and topicity; through-bond effects; and through-space effects. The book also covers molecular dynamics; strategies for assigning resonances to atoms within a molecule; strategies for elucidating unknown molecular structures; simple and complex assignment problems; and simple and complex unknown problems. Each chapter includes problems that will enable readers to test their understanding of the material discussed. The book contains 30 known and 30 unknown structure determination problems. It also features a supporting website from which instructors can download the structures of the unknowns in selected chapters, digital versions of all figures, and raw data sets for processing. This book will stand as a single source to which instructors and students can go to obtain a comprehensive compendium of NMR problems of varying difficulty.

This book presents the most important and main concepts of the molecular and microsimulation techniques. It enables readers to improve their skills in developing simulation programs by providing physical problems and sample simulation programs for them to use.

Modeling of Chemical Reactions covers detailed chemical kinetics models for chemical reactions. Including a comprehensive treatment of pressure dependent reactions, which are frequently not incorporated into detailed chemical kinetic models, and the use of modern computational quantum chemistry, which has recently become an extraordinarily useful component of the reaction kinetics toolkit.
It is intended both for those who need to model complex chemical reaction processes but have little background in the area, and those who are already have experience and would benefit from having a wide range of useful material gathered in one volume. The range of subject matter is wider than that found in many previous treatments of this subject. The technical level of the material is also quite wide, so that non-experts can gain a grasp of fundamentals, and experts also can find the book useful.
* A solid introduction to kinetics
* Material on computational quantum chemistry, an important new area for kinetics
* Contains a chapter on construction of mechanisms, an approach only found in this book

Gas and liquid-phase unimolecular reactions are central to the complex chemistry of a large number of processes, from those occurring in the Earth's atmosphere to those involved in transportation, power and manufacturing. Improving our understanding of the fundamental chemistry of these processes is critical to solving contemporary challenges such as climate change, as well as improving industrial efficiency. One hundred years have passed since the proposal of the Lindemann mechanism in 1922, and the current state of this field is as exciting and important as ever. The unique format of the Faraday Discussions allows for in-depth discussions across the full scope of the field, from new perspectives in kinetics and dynamics to application to current challenges such as atmospheric pollution, alternative fuels and industrial processes. This volume brings together global leaders to examine the current state of unimolecular reaction experiments as well as theory and applications to current challenges. In this volume the topics covered are organised into the following themes: Collisional energy transfer The reaction step The Master Equation Impact of Lindemann and related theories

This comprehensive database on physical properties of pure ionic liquids (ILs)contains data collected from 269 peer-reviewed papers in the period from 1982 to June 2008. There are more than 9,400 data points on the 29 kinds of physicochemical properties for 1886 available ionic liquids, from which 807 kinds of cations and 185 kinds of anions were extracted. This book includes nearlyall known pure ILs and their known physicochemical properties through June 2008. In addition, the authors incorporate the main applications of individual ILs and a large number of references.
-Nearly 50 tables include typical data, experimental and modelling or simulation comparison, and model parameters, enhancing the application of ILs.
-100 figures--from QSPR, EOS and gE models to quantum and molecular simulations--help readers understand
ILs at molecular level.
-Applications illustrate the role of IL properties in industry, in particular the development of novel clean processes and products."

This textbook provides a comprehensive, yet accessible, introduction to statistical mechanics. Crafted and class-tested over many years of teaching, it carefully guides advanced undergraduate and graduate students who are encountering statistical mechanics for the first time through this – sometimes – intimidating subject. The book provides a strong foundation in thermodynamics and the ensemble formalism of statistical mechanics. An introductory chapter on probability theory is included. Applications include degenerate Fermi systems, Bose-Einstein condensation, cavity radiation, phase transitions, and critical phenomena. The book concludes with a treatment of scaling theories and the renormalization group. In addition, it provides clear descriptions of how to understand the foundational mathematics and physics involved and includes exciting case studies of modern applications of the subject in physics and wider interdisciplinary areas. Key Features: Presents the subject in a clear and entertaining style which enables the author to take a sophisticated approach whilst remaining accessible Contains contents that have been carefully reviewed with a substantial panel to ensure that coverage is appropriate for a wide range of courses, worldwide Accompanied by volumes on thermodynamics and non-equilibrium statistical mechanics, which can be used in conjunction with this book, on courses which cover both thermodynamics and statistical mechanics

Water in the proximity of a surface (interfacial water) is abundant on the earth. It is involved in various physical and chemical processes and crucial for biological function. Despite numerous studies of interfacial water, systematic analysis of its properties is missing in scientific literature. This book is a first comprehensive review of experimental and simulation studies of water in various confining environments, such as hydrophilic and hydrophobic surfaces, surfaces of biomolecules, porous media, etc. Systematic analysis of interfacial and confined water is based on the firm physical ground, which accounts for variety of the thermodynamic states of water near the surface, surface phase transitions, surface critical behaviour, effect of confinement on the bulk and surface phase transitions of water, clustering and formation of a spanning hydrogen-bonded water network via percolation transition. This allows distinguishing between universal features, common for all fluids, and some specific water properties, related to intermolecular hydrogen bonds. Special attention is paid to the properties of hydration water, which covers biomolecules and enables their biological activity. This book provides readers with basic information on interfacial and confined water, which will be useful for scientists and engineers working in the fields of bioscienses, nanociences and nanotechnologies.
* Comprehensive review and analysis of interfacial and confined water
* Updates and informs practitioners and students on all the latest developments in the field
* Written by leading scholars and industry experts