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Novel Approaches To The Structure And Dynamics Of Liquids Experiments Theories And Simulations
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Book Synopsis Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations by : Jannis Samios
Download or read book Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations written by Jannis Samios and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: The unique behavior of the "liquid state", together with the richness of phenomena that are observed, render liquids particularly interesting for the scientific community. Note that the most important reactions in chemical and biological systems take place in solutions and liquid-like environments. Additionally, liquids are utilized for numerous industrial applications. It is for these reasons that the understanding of their properties at the molecular level is of foremost interest in many fields of science and engineering. What can be said with certainty is that both the experimental and theoretical studies of the liquid state have a long and rich history, so that one might suppose this to be essentially a solved problem. It should be emphasized, however, that although, for more than a century, the overall scientific effort has led to a considerable progress, our understanding of the properties of the liquid systems is still incomplete and there is still more to be explored. Basic reason for this is the "many body" character of the particle interactions in liquids and the lack of long-range order, which introduce in liquid state theory and existing simulation techniques a number of conceptual and technical problems that require specific approaches. Also, many of the elementary processes that take place in liquids, including molecular translational, rotational and vibrational motions (Trans. -Rot. -Vib. coupling), structural relaxation, energy dissipation and especially chemical changes in reactive systems occur at different and/or extremely short timescales.
Book Synopsis Density Functional Theory by : Daniel Glossman-Mitnik
Download or read book Density Functional Theory written by Daniel Glossman-Mitnik and published by BoD – Books on Demand. This book was released on 2022-05-18 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecular and electrical structure of atoms, molecules, clusters, and solids. Its use is based not only on the capacity to calculate the molecular characteristics of the species of interest but also on the provision of interesting concepts that aid in a better understanding of the chemical reactivity of the systems under study. This book presents examples of recent advances, new perspectives, and applications of DFT for the understanding of chemical reactivity through descriptors forming the basis of Conceptual DFT as well as the application of the theory and its related computational procedures in the determination of the molecular properties of different systems of academic, social, and industrial interest.
Book Synopsis Continuum Solvation Models in Chemical Physics by : Benedetta Mennucci
Download or read book Continuum Solvation Models in Chemical Physics written by Benedetta Mennucci and published by John Wiley & Sons. This book was released on 2008-02-28 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed. Devoted to solvation models in which reviews of the theory, the computational implementation Solvation continuum models are treated using the different points of view from experts belonging to different research fields Can be read at two levels: one, more introductive, and the other, more detailed (and more technical), on specific physical and numerical aspects involved in each issue and/or application Possible limitations or incompleteness of models is pointed out with, if possible, indications of future developments Four-colour representation of the computational modeling throughout.
Book Synopsis Applied Thermodynamics of Fluids by : A. R. H. Goodwin
Download or read book Applied Thermodynamics of Fluids written by A. R. H. Goodwin and published by Royal Society of Chemistry. This book was released on 2010 with total page 535 pages. Available in PDF, EPUB and Kindle. Book excerpt: Published under the asspices of both IUPAC and its affiliated body, the International Association of Chemical Thermodynamics (IACT), this book will serve as a guide to scientists or technicians who use equations of state for fluids. Concentrating on the application of theory, the practical use of each type of equation is discussed and the strengths and weaknesses of each are addressed. It includes material on the equations of state for chemically reacting and non-equilibrium fluids which have undergone significant developments and brings up to date the equations of state for fluids and fluid mixtures. Applied Thermodynamics of Fluids addresses the need of practitioners within academia, government and industry by assembling an international team of distinguished experts to provide each chapter. The topics presented in the book are important to the energy business, particularly the hydroncarbon economy and the development of new power sources and are also significant for the application of liquid crystals and ionic liquids to commericial products. This reference will be useful for post graduate researchers in the fields of chemical engineering, mechanical engineering, chemistry and physics.
Book Synopsis Ab Initio Molecular Dynamics by : Dominik Marx
Download or read book Ab Initio Molecular Dynamics written by Dominik Marx and published by Cambridge University Press. This book was released on 2009-04-30 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.
Book Synopsis Theory of Liquids by : Kostya Trachenko
Download or read book Theory of Liquids written by Kostya Trachenko and published by Cambridge University Press. This book was released on 2023-08-17 with total page 227 pages. Available in PDF, EPUB and Kindle. Book excerpt: Of the three basic states of matter, liquid is perhaps the most complex. While its flow properties are described by fluid mechanics, its thermodynamic properties are often neglected, and for many years it was widely believed that a general theory of liquid thermodynamics was unattainable. In recent decades that view has been challenged, as new advances have finally enabled us to understand and describe the thermodynamic properties of liquids. This book explains the recent developments in theory, experiment and modelling that have enabled us to understand the behaviour of excitations in liquids and the impact of this behaviour on heat capacity and other basic properties. Presented in plain language with a focus on real liquids and their experimental properties, this book is a useful reference text for researchers and graduate students in condensed matter physics and chemistry as well as for advanced courses covering the theory of liquids.
Book Synopsis Computer Simulation of Liquids by : Michael P. Allen
Download or read book Computer Simulation of Liquids written by Michael P. Allen and published by Oxford University Press. This book was released on 2017-08-15 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chemistry and physics of condensed matter, complementing and reinforcing both experiment and theory. Simulations provide detailed information about structure and dynamics, essential to understand the many fluid systems that play a key role in our daily lives: polymers, gels, colloidal suspensions, liquid crystals, biological membranes, and glasses. The second edition of this pioneering book aims to explain how simulation programs work, how to use them, and how to interpret the results, with examples of the latest research in this rapidly evolving field. Accompanying programs in Fortran and Python provide practical, hands-on, illustrations of the ideas in the text.
Book Synopsis Theory of Simple Liquids by : Jean-Pierre Hansen
Download or read book Theory of Simple Liquids written by Jean-Pierre Hansen and published by Elsevier. This book was released on 2006-02-08 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt: The third edition of Theory of Simple Liquids is an updated, advanced, but self-contained introduction to the principles of liquid-state theory. It presents the modern, molecular theory of the structural, thermodynamic interfacial and dynamical properties of the liquid phase of materials constituted of atoms, small molecules or ions. This book leans on concepts and methods form classical Statistical Mechanics in which theoretical predictions are systematically compared with experimental data and results from numerical simulations. The overall layout of the book is similar to that of the previous two editions however, there are considerable changes in emphasis and several key additions including: •up-to-date presentation of modern theories of liquid-vapour coexistence and criticality •areas of considerable present and future interest such as super-cooled liquids and the glass transition •the area of liquid metals, which has grown into a mature subject area, now presented as part of the chapter ionic liquids •Provides cutting-edge research in the principles of liquid-state theory •Includes frequent comparisons of theoretical predictions with experimental and simulation data •Suitable for researchers and post-graduates in the field of condensed matter science (Physics, Chemistry, Material Science), biophysics as well as those in the oil industry
Book Synopsis Microscopic Structure and Dynamics of Liquids by : J. Dupuy
Download or read book Microscopic Structure and Dynamics of Liquids written by J. Dupuy and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 520 pages. Available in PDF, EPUB and Kindle. Book excerpt: What did we have in mind when in May, 1976, we (Professor de Gennes, Dr. Tourand and ourselves) thought of a Summer School in the field of liquids? First, we wanted to present and discuss the new results that have been obtained recently, in particular at the high flux reactor of the Institut Laue-Langevin in Grenoble since it became operational in 1972. In order to achieve this goal, the major part of this Summer School was devoted to an ex tensive presentation of the gen~ra1 concepts and methods of study ing this state of matter (time-dependent correlation functions, molecular dynamics, intermolecular forces, spectroscopic tech niques ••• ) and concentrated on a few specific systems which have seen significant development in the last few years, both theoret ically and experimentally. These systems are the different classes of simple liquids: metallic liquids, ionic liquids, simple molecu lar liquids and the new field of superionic conductors (solid electrolytes). Furthermore, we wanted to put some emphasis on a particular research area in the field of liquids, namely critical phenomena in fluids. This was chosen both because of our personal interest in this field and the major theoretical advances which have occurred in the last ten years. We also wished that some new powerful techniques or new theo retical approaches be presented at this School. Thus, picosecond laser techniques, theoretical calculations on dipolar fluids, and angular correlations in molecular liquids were the subject of specific seminars.
Book Synopsis Shell Structures: Theory and Applications by : Wojciech Pietraszkiewicz
Download or read book Shell Structures: Theory and Applications written by Wojciech Pietraszkiewicz and published by CRC Press. This book was released on 2013-09-18 with total page 602 pages. Available in PDF, EPUB and Kindle. Book excerpt: Shells are basic structural elements of modern technology and everyday life. Examples are automobile bodies, water and oil tanks, pipelines, aircraft fuselages, nanotubes, graphene sheets or beer cans. Also nature is full of living shells such as leaves of trees, blooming flowers, seashells, cell membranes, the double helix of DNA or wings of insects. In the human body arteries, the shell of the eye, the diaphragm, the skin or the pericardium are all shells as well. Shell Structures: Theory and Applications, Volume 3 contains 137 contributions presented at the 10th Conference “Shell Structures: Theory and Applications” held October 16-18, 2013 in Gdansk, Poland. The papers cover a wide spectrum of scientific and engineering problems which are divided into seven broad groups: general lectures, theoretical modelling, stability, dynamics, bioshells, numerical analyses, and engineering design. The volume will be of interest to researchers and designers dealing with modelling and analyses of shell structures and thin-walled structural elements.
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1992 with total page 1572 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Liquid Dynamics by : John T. Fourkas
Download or read book Liquid Dynamics written by John T. Fourkas and published by . This book was released on 2002 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: The dynamics of liquids play a major role in many chemical, physical, and biological processes. However, the strong intermolecular interactions and high degree of disorder that characterize liquids pose a significant challenge to developing a detailed understanding of this state of matter. The chapters of this book describe current research using state-of-the-art techniques in experiment, simulation, and theory to unravel the mysteries of liquid behavior. Sections of the book are devoted to microscopic dynamics, photochemistry, vibrational dynamics, water, metastable liquids, and confined liquids. The introduction includes a detailed background discussion of terminology, major problems, and leading approaches in the context of these different topic areas.
Book Synopsis Large Space Structures & Systems in the Space Station Era by :
Download or read book Large Space Structures & Systems in the Space Station Era written by and published by . This book was released on 1990 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Russian Journal of Physical Chemistry by :
Download or read book Russian Journal of Physical Chemistry written by and published by . This book was released on 2005 with total page 780 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Journal by : American Chemical Society
Download or read book Journal written by American Chemical Society and published by . This book was released on 2004 with total page 1542 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis New Approaches to Problems in Liquid State Theory by : Carlo Caccamo
Download or read book New Approaches to Problems in Liquid State Theory written by Carlo Caccamo and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 527 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Computer Simulation of Liquids by : M. P. Allen
Download or read book Computer Simulation of Liquids written by M. P. Allen and published by Oxford University Press. This book was released on 1989 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer simulation is an essential tool in studying the chemistry and physics of liquids. Simulations allow us to develop models and to test them against experimental data. This book is an introduction and practical guide to the molecular dynamics and Monte Carlo methods.
