Interactions and Dynamics of Small Molecules in Liquid Mixtures PDF Download

Author: Helena Kovács
Publisher:
ISBN:
Category : Kinetic theory of liquids
Languages : en
Pages : 206

View

Book Description

Author: A.J. Barnes
Publisher: Springer Science & Business Media
ISBN: 9400964633
Category : Science
Languages : en
Pages : 594

View

Book Description
This ASI was planned to make a major contribution to the teaching of the principles and methods used in liquid phase ~esearch and to encourage the setting up of collaborative projects, as advocated by the European Molecular Liquids Group (secretary: Dr J. Yarwood, University of Durham, U. K. ). During the past five years considerable progress has been made in studying molecular liquids. The undoubted advantages of international collaboration led to the formation of the European Molecular Liquids Group (EMLG) in July 1981. The activities of the EMLG were widely disseminated in a special session of the European Congress on Molecular Spectroscopy (EUCMOS) held in September 1981 (for details, see J. Mol. Structure, 80 (1982) 375 - 421). Following the success of this meeting, it was thought that the aims and objectives of the E~G would be best served by the organisation of a broader-based gathering designed to attract those interested in the study of the structure, dynamics and interactions in the liquid state. Thanks to the generous support by the Scientific Affairs Division of NATO, it was possible to hold a NATO ASI on Molecular Liquids at the Italian Centre of Stanford University, Florence, Italy during June-July 1983. This book is based on the lectures presented at that meeting. The contents of this volume cover the three broad areas of current liquid phase research: (a) Analytical theory.

Author: Jannis Samios
Publisher: Springer Science & Business Media
ISBN: 1402023847
Category : Science
Languages : en
Pages : 548

View

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.

Author: Sergey Mitlin
Publisher: University of Waterloo
ISBN:
Category :
Languages : en
Pages :

View

Book Description

Author: Ilya G. Shenderovich
Publisher: MDPI
ISBN: 3036504303
Category : Science
Languages : en
Pages : 216

View

Book Description
Noncovalent interactions are the bridge between ideal gas abstraction and the real world. For a long time, they were covered by two terms: van der Waals interactions and hydrogen bonding. Both experimental and quantum chemical studies have contributed to our understanding of the nature of these interactions. In the last decade, great progress has been made in identifying, quantifying, and visualizing noncovalent interactions. New types of interactions have been classified—their energetic and spatial properties have been tabulated. In the past, most studies were limited to analyzing the single strongest interaction in the molecular system under consideration, which is responsible for the most important structural properties of the system. Despite this limitation, such an approach often results in satisfactory approximations of experimental data. However, this requires knowledge of the structure of the molecular system and the absence of other competing interactions. The current challenge is to go beyond this limitation. This Special Issue collects ideas on how to study the interplay of noncovalent interactions in complex molecular systems including the effects of cooperation and anti-cooperation, solvation, reaction field, steric hindrance, intermolecular dynamics, and other weak but numerous impacts on molecular conformation, chemical reactivity, and condensed matter structure.

Author: Aurelia Meghea
Publisher: BoD – Books on Demand
ISBN: 9535100793
Category : Medical
Languages : en
Pages : 386

View

Book Description
In a classical approach materials science is mainly dealing with interatomic interactions within molecules, without paying much interest on weak intermolecular interactions. However, the variety of structures actually is the result of weak ordering because of noncovalent interactions. Indeed, for self-assembly to be possible in soft materials, it is evident that forces between molecules must be much weaker than covalent bonds between the atoms of a molecule. The weak intermolecular interactions responsible for molecular ordering in soft materials include hydrogen bonds, coordination bonds in ligands and complexes, ionic and dipolar interactions, van der Waals forces, and hydrophobic interactions. Recent evolutions in nanosciences and nanotechnologies provide strong arguments to support the opportunity and importance of the topics approached in this book, the fundamental and applicative aspects related to molecular interactions being of large interest in both research and innovative environments. We expect this book to have a strong impact at various education and research training levels, for young and experienced researchers from both academia and industry.

Author: Katsura Nishiyama
Publisher: Springer Nature
ISBN: 981165395X
Category : Science
Languages : en
Pages : 469

View

Book Description
This book sheds light on the molecular aspects of liquids and liquid-based materials such as organic or inorganic liquids, ionic liquids, proteins, biomaterials, and soft materials including gels. The reader discovers how the molecular basics of such systems are connected with their properties, dynamics, and functions. Once the use and application of liquids and liquid-based materials are understood, the book becomes a source of the latest, detailed knowledge of their structures, dynamics, and functions emerging from molecularity. The systems discussed in the book have structural dimensions varying from nanometers to millimeters, thus the precise estimation of structures and dynamics from experimental, theoretical, and simulation methods is of crucial importance. Outlines of the practical knowledge needed in research and development are helpfully included in the book.

Author: K. P. Whittingham
Publisher:
ISBN:
Category :
Languages : en
Pages : 0

View

Book Description

Author: José Teixeira
Publisher: Springer Science & Business Media
ISBN: 9401128324
Category : Science
Languages : en
Pages : 570

View

Book Description
In its combination of an advanced teaching standpoint with an emphasis on new perspectives and recent advances in the study of liquids formed by simple molecules, Molecular Liquids: New Perspectives in Physics and Chemistry provides a clear, understandable guide through the complexities of the subject. A wide range of topics is covered in the areas of intermolecular forces, statistical mechanics, the microscopic dynamics of simple liquids, thermodynamics of solutions, nonequilibrium molecular dynamics, molecular models for transport and relaxation in fluids, liquid simulations, statistical band shape theories, conformational studies, fast-exchange dynamics, and hydrogen bonding. The experimental techniques covered include: neutron scattering, X-ray diffraction, IR, Raman, NMR, quasielastic neutron scattering, and high-precision, time-resolved coherent Raman spectroscopy.

Author: Gregory A. Voth
Publisher: CRC Press
ISBN: 1420059564
Category : Science
Languages : en
Pages : 492

View

Book Description
Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systems examines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simulation and modeling of condensed phase and biomolecular systems. Assembling some of the most influential, world-renowned researchers in the field, this book covers the latest developments in the coarse-grained molecular dynamics simulation and modeling of condensed phase and biomolecular systems. Each chapter focuses on specific examples of evolving coarse-graining methodologies and presents results for a variety of complex systems. The contributors discuss the minimalist, inversion, and multiscale approaches to coarse-graining, along with the emerging challenges of coarse-graining. They also connect atomic-level information with new coarse-grained representations of complex systems, such as lipid bilayers, proteins, peptides, and DNA.