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
Author: Jannis Samios
Publisher: Springer Science & Business Media
Total Pages: 548
Release: 2013-11-11
Genre: Science
ISBN: 1402023847

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.

Dynamics of Polymeric Liquids, Volume 1

Dynamics of Polymeric Liquids, Volume 1
Author: R. Byron Bird
Publisher: Wiley-Interscience
Total Pages: 680
Release: 1987-05-27
Genre: Science
ISBN:

This revision of an introductory text examines Newtonian liquids and polymer fluid mechanics. It begins with a review of the main ideas of fluid dynamics as well as key points of Newtonian fluids.

Density Functional Theory

Density Functional Theory
Author: Daniel Glossman-Mitnik
Publisher: BoD – Books on Demand
Total Pages: 332
Release: 2022-05-18
Genre: Science
ISBN: 1839698454

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.

Continuum Solvation Models in Chemical Physics

Continuum Solvation Models in Chemical Physics
Author: Benedetta Mennucci
Publisher: John Wiley & Sons
Total Pages: 636
Release: 2008-02-28
Genre: Science
ISBN: 9780470515228

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.

Liquid Sloshing Dynamics

Liquid Sloshing Dynamics
Author: Raouf A. Ibrahim
Publisher: Cambridge University Press
Total Pages: 986
Release: 2005-05-19
Genre: Technology & Engineering
ISBN: 9781139444132

The problem of liquid sloshing in moving or stationary containers remains of great concern to aerospace, civil, and nuclear engineers; physicists; designers of road tankers and ship tankers; and mathematicians. Beginning with the fundamentals of liquid sloshing theory, this book takes the reader systematically from basic theory to advanced analytical and experimental results in a self-contained and coherent format. The book is divided into four sections. Part I deals with the theory of linear liquid sloshing dynamics; Part II addresses the nonlinear theory of liquid sloshing dynamics, Faraday waves, and sloshing impacts; Part III presents the problem of linear and nonlinear interaction of liquid sloshing dynamics with elastic containers and supported structures; and Part IV considers the fluid dynamics in spinning containers and microgravity sloshing. This book will be invaluable to researchers and graduate students in mechanical and aeronautical engineering, designers of liquid containers, and applied mathematicians.

Solvents and Solvent Effects in Organic Chemistry

Solvents and Solvent Effects in Organic Chemistry
Author: Christian Reichardt
Publisher: John Wiley & Sons
Total Pages: 722
Release: 2011-08-04
Genre: Science
ISBN: 3527642137

Now in its 4th edition, this book remains the ultimate reference for all questions regarding solvents and solvent effects in organic chemistry. Retaining its proven concept, there is no other book which covers the subject in so much depth, the handbook is completely updated and contains 15% more content, including new chapters on "Solvents and Green chemistry", "Classification of Solvents by their Environmental Impact", and "Ionic Liquids". An essential part of every organic chemist's library.

Dynamics of Polymeric Liquids, Volume 2

Dynamics of Polymeric Liquids, Volume 2
Author: R. Byron Bird
Publisher: Wiley-Interscience
Total Pages: 464
Release: 1987-05-04
Genre: Technology & Engineering
ISBN: 9780471802440

This two-volume work is detailed enough to serve as a text and comprehensive enough to stand as a reference. Volume 1, Fluid Mechanics, summarizes the key experiments that show how polymeric fluids differ from structurally simple fluids, then presents, in rough historical order, various methods for solving polymer fluid dynamics problems. Volume 2, Kinetic Theory, uses molecular models and the methods of statistical mechanics to obtain relations between bulk flow behavior and polymer structure. Includes end-of-chapter problems and extensive appendixes.