Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations

Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations PDF Author: Jannis Samios
Publisher: Springer Science & Business Media
ISBN: 1402023847
Category : Science
Languages : en
Pages : 548

Book Description
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.

Atomic Dynamics in Liquids

Atomic Dynamics in Liquids PDF Author: Norman Henry March
Publisher: Courier Corporation
ISBN: 9780486665986
Category : Science
Languages : en
Pages : 354

Book Description
Distinguished work by two noted authorities covers static structure and thermodynamics, calculation of liquid structure from a law of force, binary fluids, charged fluids, much more. 1976 edition.

Coupled Boundary and Finite Element Methods for the Solution of the Dynamic Fluid-Structure Interaction Problem

Coupled Boundary and Finite Element Methods for the Solution of the Dynamic Fluid-Structure Interaction Problem PDF Author: Siamak Amini
Publisher: Springer Science & Business Media
ISBN: 3642517277
Category : Technology & Engineering
Languages : en
Pages : 116

Book Description
This text considers the problem of the dynamic fluid-structure interaction between a finite elastic structure and the acoustic field in an unbounded fluid-filled exterior domain. The exterior acoustic field is modelled through a boundary integral equation over the structure surface. However, the classical boundary integral equation formulations of this problem either have no solutions or do not have unique solutions at certain characteristic frequencies (which depend on the surface geometry) and it is necessary to employ modified boundary integral equation formulations which are valid for all frequencies. The particular approach adopted here involves an arbitrary coupling parameter and the effect that this parameter has on the stability and accuracy of the numerical method used to solve the integral equation is examined. The boundary integral analysis of the exterior acoustic problem is coupled with a finite element analysis of the elastic structure in order to investigate the interaction between the dynamic behaviour of the structure and the associated acoustic field. Recently there has been some controversy over whether or not the coupled problem also suffers from the non-uniqueness problems associated with the classical integral equation formulations of the exterior acoustic problem. This question is resolved by demonstrating that .the solution to the coupled problem is not unique at the characteristic frequencies and that it is necessary to employ an integral equation formulation valid for all frequencies.

Structure and Dynamics of Solutions

Structure and Dynamics of Solutions PDF Author: H. Ohtaki
Publisher: Elsevier
ISBN: 1483291421
Category : Science
Languages : en
Pages : 361

Book Description
Recent advances in the study of structural and dynamic properties of solutions have provided a molecular picture of solute-solvent interactions. Although the study of thermodynamic as well as electronic properties of solutions have played a role in the development of research on the rate and mechanism of chemical reactions, such macroscopic and microscopic properties are insufficient for a deeper understanding of fast chemical and biological reactions. In order to fill the gap between the two extremes, it is necessary to know how molecules are arranged in solution and how they change their positions in both the short and long range. This book has been designed to meet these criteria. It is possible to develop a sound microscopic picture for reaction dynamics in solution without molecular-level knowledge of how reacting ionic or neutral species are solvated and how rapidly the molecular environment is changing with time. A variety of actual examples is given as to how and when modern molecular approaches can be used to solve specific solution problems. The following tools are discussed: x-ray and neutron diffraction, EXAFS, and XANES, molecular dynamics and Monte Carlo computer simulations, Raman, infrared, NMR, fluorescence, and photoelectron emission spectroscopic methods, conductance and viscosity measurements, high pressure techniques, and statistical mechanics methods. Static and dynamic properties of ionic solvation, molecular solvation, ion-pair formation, ligand exchange reactions, and typical organic solvents are useful for bridging the gap between classical thermodynamic studies and modern single-molecule studies in the gas phase. The book will be of interest to solution, physical, inorganic, analytical and structural chemists as well as to chemical kineticists.

Grants and Awards for the Fiscal Year Ended ...

Grants and Awards for the Fiscal Year Ended ... PDF Author: National Science Foundation (U.S.)
Publisher:
ISBN:
Category : Federal aid to research
Languages : en
Pages : 256

Book Description


Statistical Mechanics for the Liquid State

Statistical Mechanics for the Liquid State PDF Author: Jean-Louis Bretonnet
Publisher: Cambridge Scholars Publishing
ISBN: 152755970X
Category : Science
Languages : en
Pages : 582

Book Description
In a simple and accessible form, this book presents a unified approach to the physics of the liquid state, both in and out of equilibrium. It discerns, behind the seemingly anarchistic proliferation of phenomena observable in the liquid state, the sequence of causes and effects and, where appropriate, the underlying rules that preside over the general principles. The book begins by introducing the fundamental concepts of statistical mechanics, such as classical and quantum mechanics, probability theory, and the kinetic theory of gases, before moving on to discuss theoretical methods in order to contextualise the study of liquids. The last final section is devoted to ordering in complex fluids. It includes detailed technical notes and explicit calculations, and will appeal to graduate students in physics and chemistry. It will also be of interest the reader interested in statistical mechanics and their application to the physics of dense matter. This book will certainly become an indispensable reference for students and researchers who wish to become familiar with a multifaceted process looking towards new horizons.

Liquid State VIIIA

Liquid State VIIIA PDF Author: Douglas Henderson
Publisher: Elsevier
ISBN: 0323150063
Category : Science
Languages : en
Pages : 447

Book Description
Physical Chemistry: An Advanced Treatise: Liquid State, Volume VIIIA, deals with simple liquids because the theory is most developed for these liquids. The purpose of this treatise is to present a comprehensive treatment of physical chemistry for advanced students and investigators in a reasonably small number of volumes. An attempt has been made to include all important topics in physical chemistry together with borderline subjects which are of particular interest and importance. The book contains six chapters and begins with an introduction to intermolecular pair potential-energy functions, the principle of corresponding states, and the equation of state for dense liquids. It then discusses the static and dynamic structure of liquids, followed by separate chapters on the four main techniques in the theory of liquids: simulation studies, integral equation methods, lattice theories, and perturbation theories.

Hydrodynamic Fluctuations in Fluids and Fluid Mixtures

Hydrodynamic Fluctuations in Fluids and Fluid Mixtures PDF Author: Jose M. Ortiz de Zarate
Publisher: Elsevier
ISBN: 0080459439
Category : Science
Languages : en
Pages : 321

Book Description
This book deals with density, temperature, velocity and concentration fluctuations in fluids and fluid mixtures. The book first reviews thermal fluctuations in equilibrium fluids on the basis of fluctuating hydrodynamics. It then shows how the method of fluctuating hydrodynamics can be extended to deal with hydrodynamic fluctuations when the system is in a stationary nonequilibrium state. In contrast to equilibrium fluids where the fluctuations are generally short ranged unless the system is close to a critical point, fluctuations in nonequilibrium fluids are always long-ranged encompassing the entire system. The book provides the first comprehensive treatment of fluctuations in fluids and fluid mixtures brought out of equilibrium by the imposition of a temperature and concentration gradient but that are still in a macroscopically quiescent state. By incorporating appropriate boundary conditions in the case of fluid layers, it is shown how fluctuating hydrodynamics affects the fluctuations close to the onset of convection. Experimental techniques of light scattering and shadowgraphy for measuring nonequilibrium fluctuations are elucidated and the experimental results thus far reported in the literature are reviewed.· Systematic exposition of fluctuating hydrodynamics and its applications· First book on nonequilibrium fluctuations in fluids· Fluctuating Boussinesq equations and nonequilibrium fluids· Fluid layers and onset of convection· Rayleigh scattering and Brillouin scattering in fluids· Shadowgraph technique for measuring fluctuations· Fluctuations near hydrodynamic instabilities

Dynamics of the Liquid State

Dynamics of the Liquid State PDF Author: Umberto Balucani
Publisher: Clarendon Press
ISBN: 0191591211
Category : Science
Languages : en
Pages : 357

Book Description
The purpose fo this book is to present a comprehensive account of the physical concepts and theoretical approaches developed for the study of the dynamical properties of liquids (or more generally, of high-density fluids) at a microscopic level. After a discussion of the basic dynamical phenomena to be interupted, as well as of the various experimental probes, the book gradually exposes the reader to the sophisticated theoretical techniques needed for a satisfactory account of both single particle and coleective motions. The complications are faced in a stepwise fashion, with special attention to the physical content of the results. As a result of the progress achieved in the last decade, in the end a satisfactory understanding of most of the phenomena characterizing this fascinating field emerges.

Scattering Methods in Complex Fluids

Scattering Methods in Complex Fluids PDF Author: Sow-Hsin Chen
Publisher: Cambridge University Press
ISBN: 1316298051
Category : Science
Languages : en
Pages : 401

Book Description
Summarising recent research on the physics of complex liquids, this in-depth analysis examines the topic of complex liquids from a modern perspective, addressing experimental, computational and theoretical aspects of the field. Selecting only the most interesting contemporary developments in this rich field of research, the authors present multiple examples including aggregation, gel formation and glass transition, in systems undergoing percolation, at criticality, or in supercooled states. Connecting experiments and simulation with key theoretical principles, and covering numerous systems including micelles, micro-emulsions, biological systems, and cement pastes, this unique text is an invaluable resource for graduate students and researchers looking to explore and understand the expanding field of complex fluids.