The book deals with atomistic properties of solids which are determined by the crystal structure, interatomic forces and atomic displacements influenced by the effects of temperature, stress and electric fields. The book gives equal importance to experimental details and theory. There are full chapters dedicated to the tensor nature of physical properties, mechanical properties, lattice vibrations, crystal structure determination and ferroelectricity. The other crystalline states like nano-, poly-, liquid- and quasi crystals are discussed. Several new topics like nonlinear optics and the Rietveld method are presented in the book. The book lays emphasis on the role of symmetry in crystal properties. Comprehensiveness is the strength of the book; this allows users at different levels a choice of chapters according to their requirements.

Chemistry at Extreme Conditions covers those chemical processes that occur in the pressure regime of 0.5-200 GPa and temperature range of 500-5000 K and includes such varied phenomena as comet collisions, synthesis of super-hard materials, detonation and combustion of energetic materials, and organic conversions in the interior of planets. The book provides an insight into this active and exciting field of research. Written by top researchers in the field, the book covers state of the art experimental advances in high-pressure technology, from shock physics to laser-heating techniques to study the nature of the chemical bond in transient processes. The chapters have been conventionally organised into four broad themes of applications: biological and bioinorganic systems; Experimental works on the transformations in small molecular systems; Theoretical methods and computational modeling of shock-compressed materials; and experimental and computational approaches in energetic materials research.
* Extremely practical book containing up-to-date research in high-pressure science
* Includes chapters on recent advances in computer modelling
* Review articles can be used as reference guide

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 book provides a lucid, up-to-date introduction to the principles of quantum mechanics at the level of undergraduates and first-year graduate students in chemistry, materials science, biology and related fields. It shows how the fundamental concepts of quantum theory arose from classic experiments in physics and chemistry, and presents the quantum-mechanical foundations of modern techniques including molecular spectroscopy, lasers and NMR.
Blinder also discusses recent conceptual developments in quantum theory, including Schrodinger's Cat, the Einstein-Podolsky-Rosen experiment, Bell's theorem and quantum computing.
* Clearly presents the basics of quantum mechanics and modern developments in the field
* Explains applications to molecular spectroscopy, lasers, NMR, and MRI
* Introduces new concepts such as Schrodinger's Cat, Bell's Theorem, and quantum computing
* Includes full-color illustrations, proven pedagogical features, and links to online materials

The International Association for the Properties of Water and Steam (IAPWS) has produced this book in order to provide an accessible, up-to-date overview of important aspects of the physical chemistry of aqueous systems at high temperatures and pressures. These systems are central to many areas of scientific study and industrial application, including electric power generation, industrial steam systems, hydrothermal processing of materials, geochemistry, and environmental applications. The authors' goal is to present the material at a level that serves both the graduate student seeking to learn the state of the art, and also the industrial engineer or chemist seeking to develop additional expertise or to find the data needed to solve a specific problem.

The wide range of people for whom this topic is important provides a challenge. Advanced work in this area is distributed among physical chemists, chemical engineers, geochemists, and other specialists, who may not be aware of parallel work by those outside their own specialty. The particular aspects of high-temperature aqueous physical chemistry of interest to one industry may be irrelevant to another; yet another industry might need the same basic information but in a very different form.

To serve all these constituencies, the book includes several chapters that cover the foundational thermophysical properties (such as gas solubility, phase behavior, thermodynamic properties of solutes, and transport properties) that are of interest across numerous applications. The presentation of these topics is intended to be accessible to readers from a variety of backgrounds. Other chapters address fundamental areas of more specializedinterest, such as critical phenomena and molecular-level solution structure. Several chapters are more application-oriented, addressing areas such as power-cycle chemistry and hydrothermal synthesis. As befits the variety of interests addressed, some chapters provide more theoretical guidance while others, such as those on acid/base equilibria and the solubilities of metal oxides and hydroxides, emphasize experimental techniques and data analysis.
- Covers both the theory and applications of all Hydrothermal solutions
- Provides an accessible, up-to-date overview of important aspects of the physical chemistry of aqueous systems at high temperatures and pressures
- The presentation of the book is understandable to readers from a variety of backgrounds

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."

This book presents an overview of recent advances in our understanding of the genesis of diamonds and the associated phases. It is divided into three main parts, starting with an introduction to the analysis of diamond inclusions to infer the formation processes. In turn, the second part of the book presents high-pressure experimental studies in mantle diamond-parental mineral systems with representative multicomponent boundary compositions. The experimental syngenesis phase diagrams provided reveal the physicochemical mechanisms of diamond nucleation and substantiate the mantle-carbonatite concept of the genesis of diamonds and associated phases. Lastly, the book describes the genetic classification of diamond-hosted mineral inclusions and experimentally determined RE "mineral-parental melt" partition coefficients. The physicochemical experimental evidence presented shows the driving forces behind the fractional evolution of the mantle magmas and diamond-parental melts. Given the depth and breadth of its coverage, the book offers researchers essential new insights into the ways diamonds and associated minerals and rocks are naturally created.

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.

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.

This is the second volume of a four volume set intended to describe the techniques and applications of thermoanalytical and calorimetric methods. The general techniques and methodology are covered extensively in Volume 1, along with the fundamental physicochemical background needed. Consequently the subsequent volumes dwell on the applications of these powerful and versatile methods, while assuming a familiarity with the techniques.
Volume 2 covers major areas of inorganic materials and some related general topics, e.g., catalysis, geochemistry, and the preservation of art. The chapters are written by established practitioners in the field with the intent of presenting a sampling of the how thermoanalytical and calorimetric methods have contributed to progress in their respective areas. The chapters are not intended as exhaustive reviews of the topics, but rather, to illustrate to the readers what has been achieved and to encourage them to consider extending these applications further into their domains of interest.
- Provides an appreciation for how thermal methods can be applied to inorganic materials and processes.
- Provides an insight into the versatility of thermal methods.
- Shares the experiences of experts in a variety of different fields.
- A valuable reference source covering a huge area of materials coverage.

* Expert, up-to-date guidance on the appropriate techniques of local chemical analysis
* Comprehensive. This volume is an ideal starting point for material research and development, bringing together a number of techniques usually only found in isolation
* Recent examples of the applications of techniques are provided in all cases

Helping to solve the problems of materials scientists in academia and industry, this book offers guidance on appropriate techniques of chemical analysis of materials at the local level, down to the atomic scale. Comparisons are made between various techniques in terms of the nature of the probe employed. The detection limit and the optimum spatial resolution is also considered, as well as the range of atomic number that may be identified and the precision and methods of calibration, where appropriate.

"The Local Chemical Analysis of Materials" is amply illustrated allowing the reader to easily see typical results. It includes a comparative table of techniques to aid selection for analysis and a table of acronyms, particularly valuable in this jargon-riddled area.

The need for properties is ever increasing to make processes more economical. A good survey of the viscosity data, its critical evaluation and correlation would help design engineers, scientists and technologists in their areas of interest. This type of work assumes more importance as the amount of experimental work in collection and correlation of properties such as viscosity, thermal conductivity, heat capacities, etc has reduced drastically both at the industry, universities, and national laboratories. One of the c o-authors, Professor Viswanath, co-authored a book jointly with Dr. Natarajan Data Book on the Viscosity of Liquids in 1989 which mainly presented collected and evaluated liquid viscosity data from the literature. Although it is one of its kinds in the field, Prof. Viswanath recognized that the design engineers, scientists and technologists should have a better understanding of theories, experimental procedures, and operational aspects of viscometers. Also, rarely the data are readily available at the conditions that are necessary for design of the equipment or for other calculations. Therefore, the data must be interpolated or extrapolated using the existing literature data and using appropriate correlations or models. We have tried to address these issues in this book."

I ?rst heard of k.p in a course on semiconductor physics taught by my thesis adviser William Paul at Harvard in the fall of 1956. He presented the k.p Hamiltonian as a semiempirical theoretical tool which had become rather useful for the interpre- tion of the cyclotron resonance experiments, as reported by Dresselhaus, Kip and Kittel. This perturbation technique had already been succinctly discussed by Sho- ley in a now almost forgotten 1950 Physical Review publication. In 1958 Harvey Brooks, who had returned to Harvard as Dean of the Division of Engineering and Applied Physics in which I was enrolled, gave a lecture on the capabilities of the k.p technique to predict and 't non-parabolicities of band extrema in semiconductors. He had just visited the General Electric Labs in Schenectady and had discussed with Evan Kane the latter's recent work on the non-parabolicity of band extrema in semiconductors, in particular InSb. I was very impressed by Dean Brooks's talk as an application of quantum mechanics to current real world problems. During my thesis work I had performed a number of optical measurements which were asking for theoretical interpretation, among them the dependence of effective masses of semiconductors on temperature and carrier concentration. Although my theoretical ability was rather limited, with the help of Paul and Brooks I was able to realize the capabilities of the k.p method for interpreting my data in a simple way."

A thermodynamically consistent description of the transport across interfaces in mixtures has for a long time been an open issue. This research clarifies that the interface between a liquid and a vapor in a mixture is in local equilibrium during evaporation and condensation. It implies that the thermodynamics developed for interfaces by Gibbs can be applied also away from equilibrium, which is typically the case in reality. A description of phase transitions is of great importance for the understanding of both natural and industrial processes. For example, it is relevant for the understanding of the increase of CO2 concentration in the atmosphere, or improvements of efficiency in distillation columns. This excellent work of luminescent scientific novelty has brought this area a significant step forward. The systematic documentation of the approach will facilitate further applications of the theoretical framework to important problems.

Compiled to celebrate the centenary of the founding of the Faraday Society in 1903, this collection presents some of the key papers published in Faraday journals over the past one hundred years. The feature articles were all written by leaders in their field, including a number of Nobel Prize winners such as Lord George Porter and John Pople, and cover a breadth of topics demonstrating the wide range of scientific fields which the Faraday Society, and now the RSC Faraday Division, seek to promote. Topics include: Intermolecular Forces; Ultrafast Processes; Astrophysical Chemistry; Polymers; and Electrochemistry. Each article is accompanied by a commentary which puts it in context, describes its influence and shows how the field has developed since its publication. 100 Years of Physical Chemistry: A Collection of Landmark Papers will be welcomed by anyone interested in the historical development of physical chemistry, and will be a valued addition to any library shelf.

The first volume of this two part series is concerned with the fundamental aspects of relativistic quantum theory, outlining the enormous progress made in the last twenty years in this field. The aim was to create a book such that researchers who become interested in this exciting new field find it useful as a textbook, and do not have to rely on a rather large number of specialized papers published in this area.
.No title is currently available that deals with new developments in relativistic quantum electronic structure theory
.Interesting and relevant to graduate students in chemistry and physics as well as to all researchers in the field of quantum chemistry
.As treatment of heavy elements becomes more important, there will be a constant demand for this title

Crystal growth and nucleation are treated in the specialized literature in different ways depending on the discipline in question (physics, physical chemistry, chemical engineering) and on the theoretical approaches (atomistic vs continuum approach as regards crystal growth, phase vs chemical concept as regards nucleation). This book relates the different approaches to one another, giving preference to atomistic treatments by the methods of statistical thermodynamics and chemical kinetics. This unified approach also facilitates an understanding of some related phenomena of surface physics, such as adsorption, wetting etc. The book allows research novices and graduate students to get an insight into the physics of the phenomena and to interpret some of the experimental results.

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.

The book is devoted to the problem of microgeometry properties and anisotropy relations in modern piezo-active composites. These materials are characterized by various electromechanical properties and remarkable abilities to convert mechanical energy into electric energy and vice versa. Advantages of the performance of the composites are discussed in the context of the orientation effects, first studied by the authors for main connectivity patterns and with due regard to a large anisotropy of effective piezoelectric coefficients and electromechanical coupling factors. The novelty of the book consists in the systematization results of orientation effects, the anisotropy of piezoelectric properties and their role in forming considerable hydrostatic piezoelectric coefficients, electromechanical coupling factors and other parameters in the composites based on either ferroelectric ceramic or relaxor-ferroelectric single crystals.

This book contains important contributions from top international scientists on the-state-of-the-art of femtochemistry and femtobiology at the beginning of the new millennium. It consists of reviews and papers on ultrafast dynamics in molecular science.The coverage of topics highlights several important features of molecular science from the viewpoint of structure (space domain) and dynamics (time domain). First of all, the book presents the latest developments, such as experimental techniques for understanding ultrafast processes in gas, condensed and complex systems, including biological molecules, surfaces and nanostructures. At the same time it stresses the different ways to control the rates and pathways of reactive events in chemistry and biology. Particular emphasis is given to biological processes as an area where femtodynamics is becoming very useful for resolving the structural dynamics from techniques such as electron diffraction, and X-ray and IR spectroscopy. Finally, the latest developments in quantum control (in both theory and experiment) and the experimental pulse-shaping techniques are described.

The aim of this book is to survey a number of chemical compounds that chemists, both theoretical and experimental, find fascinating. Some of these compounds, like planar carbon species or oxirene, offer no obvious practical applications; nitrogen oligomers and polymers, in contrast, have been touted as possible high-energy-density materials. What unites this otherwise eclectic collection is that these substances are unknown and offer a challenge to theory and to synthesis. It is envisioned that this collection of idiosynchractic molecules will appeal to chemists who find the study of chemical oddities interesting and, on occasion, even rewarding.

This book begins with an introductory chapter summarizing the history of fluid mechanics. It then moves on to the essential mathematics and physics needed to understand and work in fluid mechanics. Analytical treatments are based on the Navier-Stokes equations.

"Activated Carbon Compendium" provides a critical in-depth analysis of recent research into activated carbons, focussing on their wide-ranging applications, and the complexity and flexibility in their manufacture and use. Professor Harry Marsh has selected and reviewed 27 key papers originally published in "Carbon" over the last five years. The compendium represents an indispensable review of key work in the area.
Areas include: The Activation Process, Modifications to Porosity, Properties of Activated carbons, Applications, Theoretical.