Molecular Theory Of Solutions General Concepts For Structure And Dynamics

Multicomponent solutions with solvents, cosolvents, solutes and ions reveal a plethora of interesting effects. In recent years, the underlying molecular mechanisms have received much attention because they can significantly influence the dynamic and structural properties of solutions on large time and length scales. A deeper understanding of these mechanisms is therefore of fundamental importance for the tailor-made use of liquid formulations. Molecular Theory of Solutions presents basic concepts from modern molecular theories of solutions in order to rationalize the underlying structural and dynamic effects. After a general introduction into the properties of solutions and solvation mechanisms, basic concepts from thermodynamics, statistical mechanics and molecular theories of solutions are reviewed alongside important experimental observations. The book then goes on to discuss basic principles of hydrodynamics and transport theory, with the corresponding outcomes used to highlight various concepts for the theoretical study of effective charge transport, electrokinetic flows and hydrodynamic interactions. The influence of external electric fields in terms of electrokinetic transport, as well as ion correlations, are also highlighted. Basic methods and models for particle-based computer simulation approaches at various length and time scales are then introduced, providing insight into how molecular theories of solutions and simulations can be combined to produce more accurate theories and a more reliable description of solution effects. Drawing on the knowledge of its expert author, Molecular Theory of Solutions is a useful guide to the structural and dynamic properties of solutions for all those working directly or indirectly with soft matter theory, multicomponent and electrolyte solutions, molecular theories of solution, solvation science, dynamic and structural correlations, and the use of computer simulations for the study of these effects. Collates discussion of both dynamic and structural effects in a single volume Highlights contemporary computational approaches and discusses the benefits and drawbacks of novel research tools Provides foundational guidance on solution and solvation science

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.

The results of a special research project carried out for "Molecular Approaches to Non-equilibrium Process in Solution" were presented during The 42nd Yamada Conference on "Structure, Fluctuation and Relaxation in Solution" which was held from 11-15 December, 1994. The following topics were discussed at the conference: 1. Solvation Dynamics 2. Relaxation, Fluctuation and Reaction Dynamics 3. Dynamic Structure and Reaction Mechanisms in Solutions. These topics were the main concern of this conference.

The progress in polymer science is revealed in the chapters of Polymer Science: A Comprehensive Reference, Ten Volume Set. In Volume 1, this is reflected in the improved understanding of the properties of polymers in solution, in bulk and in confined situations such as in thin films. Volume 2 addresses new characterization techniques, such as high resolution optical microscopy, scanning probe microscopy and other procedures for surface and interface characterization. Volume 3 presents the great progress achieved in precise synthetic polymerization techniques for vinyl monomers to control macromolecular architecture: the development of metallocene and post-metallocene catalysis for olefin polymerization, new ionic polymerization procedures, and atom transfer radical polymerization, nitroxide mediated polymerization, and reversible addition-fragmentation chain transfer systems as the most often used controlled/living radical polymerization methods. Volume 4 is devoted to kinetics, mechanisms and applications of ring opening polymerization of heterocyclic monomers and cycloolefins (ROMP), as well as to various less common polymerization techniques. Polycondensation and non-chain polymerizations, including dendrimer synthesis and various "click" procedures, are covered in Volume 5. Volume 6 focuses on several aspects of controlled macromolecular architectures and soft nano-objects including hybrids and bioconjugates. Many of the achievements would have not been possible without new characterization techniques like AFM that allowed direct imaging of single molecules and nano-objects with a precision available only recently. An entirely new aspect in polymer science is based on the combination of bottom-up methods such as polymer synthesis and molecularly programmed self-assembly with top-down structuring such as lithography and surface templating, as presented in Volume 7. It encompasses polymer and nanoparticle assembly in bulk and under confined conditions or influenced by an external field, including thin films, inorganic-organic hybrids, or nanofibers. Volume 8 expands these concepts focusing on applications in advanced technologies, e.g. in electronic industry and centers on combination with top down approach and functional properties like conductivity. Another type of functionality that is of rapidly increasing importance in polymer science is introduced in volume 9. It deals with various aspects of polymers in biology and medicine, including the response of living cells and tissue to the contact with biofunctional particles and surfaces. The last volume is devoted to the scope and potential provided by environmentally benign and green polymers, as well as energy-related polymers. They discuss new technologies needed for a sustainable economy in our world of limited resources. Provides broad and in-depth coverage of all aspects of polymer science from synthesis/polymerization, properties, and characterization methods and techniques to nanostructures, sustainability and energy, and biomedical uses of polymers Provides a definitive source for those entering or researching in this area by integrating the multidisciplinary aspects of the science into one unique, up-to-date reference work Electronic version has complete cross-referencing and multi-media components Volume editors are world experts in their field (including a Nobel Prize winner)

In a living body, a variety of molecules are working in a concerted manner to maintain its life, and to carry forward the genetic information from generation to generation. A key word to understand such processes is "water," which plays an essential role in life phenomena. This book sheds light on life phenomena, which are woven by biomolecules as warp and water as weft, by means of statistical mechanics of molecular liquids, the RISM and 3D-RISM theories, both in equilibrium and non-equilibrium. A considerable number of pages are devoted to basics of mathematics and physics, so that students who have not majored in physics may be able to study the book by themselves. The book will also be helpful to those scientists seeking better tools for the computer-aided-drug-discovery. Explains basics of the statistical mechanics of molecular liquids, or RISM and 3D-RISM theories, and its application to water. Provides outline of the generalized Langevin theory and the linear response theory, and its application to dynamics of water. Applies the theories to functions of biomolecular systems. Applies the theories to the computer aided drug design. Provides a perspective for future development of the method.

Describes and interrelates the following processes: cooperative alpha processes in a cold liquid, structural relaxation in the glass near Tg, the Johari-Goldstein beta process, the Williams-Götze process in a warm liquid, fast nonactivated cage rattling and boson peak, and ultraslow Fischer modes.

This Concise Encyclopedia draws its material from the award-winning Encyclopedia of Materials: Science and Technology, and includes updates and revisions not available in the original set. This customized collection of articles provides a handy reference for materials scientists and engineers with an interest in the structure of metals, polymers, ceramics and glasses, biomaterials, wood, paper, and liquid crystals. Materials science and engineering is concerned with the relationship between the properties and structure of materials. In this context "structure" may be defined on the atomic scale in the case of crystalline materials, on the molecular scale (in the case of polymers, for example), or on the microscopic scale. Each of these definitions has been applied in making the present selection of articles. * Brings together articles from the Encyclopedia of Materials: Science & Technology that focus on the structure of materials at the atomic, molecular and microscopic levels, plus recent updates * Every article has been commissioned and written by an internationally recognized expert and provides a concise overview of a particular aspect of the field * Extensive bibliographies, cross-referencing and indexes guide the user to the most relevant reading in the primary literature