Molecular Theory Of Solvation PDF Download
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Author | : F. Hirata |
Publisher | : Springer Science & Business Media |
Total Pages | : 366 |
Release | : 2006-04-11 |
Genre | : Science |
ISBN | : 1402025904 |
Download Molecular Theory of Solvation Book in PDF, ePub and Kindle
Molecular Theory of Solvation presents the recent progress in the statistical mechanics of molecular liquids applied to the most intriguing problems in chemistry today, including chemical reactions, conformational stability of biomolecules, ion hydration, and electrode-solution interface. The continuum model of "solvation" has played a dominant role in describing chemical processes in solution during the last century. This book discards and replaces it completely with molecular theory taking proper account of chemical specificity of solvent. The main machinery employed here is the reference-interaction-site-model (RISM) theory, which is combined with other tools in theoretical chemistry and physics: the ab initio and density functional theories in quantum chemistry, the generalized Langevin theory, and the molecular simulation techniques. This book will be of benefit to graduate students and industrial scientists who are struggling to find a better way of accounting and/or predicting "solvation" properties.
Author | : F Hirata |
Publisher | : Springer |
Total Pages | : 372 |
Release | : 2014-01-15 |
Genre | : |
ISBN | : 9789401739795 |
Download Molecular Theory of Solvation Book in PDF, ePub and Kindle
Molecular Theory of Solvation presents the recent progress in the statistical mechanics of molecular liquids applied to the most intriguing problems in chemistry today, including chemical reactions, conformational stability of biomolecules, ion hydration, and electrode-solution interface. The continuum model of "solvation" has played a dominant role in describing chemical processes in solution during the last century. This book discards and replaces it completely with molecular theory taking proper account of chemical specificity of solvent. The main machinery employed here is the reference-interaction-site-model (RISM) theory, which is combined with other tools in theoretical chemistry and physics: the ab initio and density functional theories in quantum chemistry, the generalized Langevin theory, and the molecular simulation techniques. This book will be of benefit to graduate students and industrial scientists who are struggling to find a better way of accounting and/or predicting "solvation" properties.
Author | : Arieh Ben-Naim |
Publisher | : OUP Oxford |
Total Pages | : 398 |
Release | : 2006-07-27 |
Genre | : Science |
ISBN | : 0191538493 |
Download Molecular Theory of Solutions Book in PDF, ePub and Kindle
This book presents new and updated developments in the molecular theory of mixtures and solutions. It is based on the theory of Kirkwood and Buff which was published more than fifty years ago. This theory has been dormant for almost two decades. It has recently become a very powerful and general tool to analyze, study and understand any type of mixtures from the molecular, or the microscopic point of view. The traditional approach to mixture has been, for many years, based on the study of excess thermodynamic quantities. This provides a kind of global information on the system. The new approach provides information on the local properties of the same system. Thus, the new approach supplements and enriches our information on mixtures and solutions.
Author | : Arieh Y. Ben-Naim |
Publisher | : Springer Science & Business Media |
Total Pages | : 253 |
Release | : 2013-03-09 |
Genre | : Science |
ISBN | : 1475765509 |
Download Solvation Thermodynamics Book in PDF, ePub and Kindle
This book deals with a subject that has been studied since the beginning of physical chemistry. Despite the thousands of articles and scores of books devoted to solvation thermodynamics, I feel that some fundamen tal and well-established concepts underlying the traditional approach to this subject are not satisfactory and need revision. The main reason for this need is that solvation thermodynamics has traditionally been treated in the context of classical (macroscopic) ther modynamics alone. However, solvation is inherently a molecular pro cess, dependent upon local rather than macroscopic properties of the system. Therefore, the starting point should be based on statistical mechanical methods. For many years it has been believed that certain thermodynamic quantities, such as the standard free energy (or enthalpy or entropy) of solution, may be used as measures of the corresponding functions of solvation of a given solute in a given solvent. I first challenged this notion in a paper published in 1978 based on analysis at the molecular level. During the past ten years, I have introduced several new quantities which, in my opinion, should replace the conventional measures of solvation thermodynamics. To avoid confusing the new quantities with those referred to conventionally in the literature as standard quantities of solvation, I called these "nonconventional," "generalized," and "local" standard quantities and attempted to point out the advantages of these new quantities over the conventional ones.
Author | : Shijie Sheng |
Publisher | : |
Total Pages | : 136 |
Release | : 2017 |
Genre | : Density functionals |
ISBN | : 9780355754667 |
Download Applications of Molecular Theory in Solvation of Pharmaceutical Solutes, Ions and Amine-grafted Silica Gel Book in PDF, ePub and Kindle
Solvation and solvent effects play an important role in diverse chemical processes ranging from reaction kinetics to molecular recognition, solubility, solvato-chromism and phase separations. Despite enormous activities in this field, quantitative solvation calculations remain an enormous intellectual challenge.
Author | : Revaz R. Dogonadze |
Publisher | : Elsevier Science & Technology |
Total Pages | : 834 |
Release | : 1985 |
Genre | : Science |
ISBN | : |
Download The Chemical Physics of Solvation Book in PDF, ePub and Kindle
The importance of solvation as a concept which covers quite generally the interactions between a molecular solute particle and a macroscopic body of surrounding solvent is well recognized. Solvation plays a major role in the distribution of elements in the geo- and hydrosphere, and most chemical and biological processes involve solvated reactants and products, the electronic and molecular structure of which are strongly determined by solvation. This three-volume monograph has been written collectively by 50 authors from 14 countries who are specialists in different areas of solvation science. Part A deals with the theory of solvation; Part B is entirely devoted to spectroscopy of solvation; and Part C covers solvation phenomena in specific physical, chemical and biological systems. The volumes will be an invaluable reference source for physicists, physical chemists and biophysicists undertaking investigations into the diversified and fascinating areas of the physics and chemical physics of solvation at postgraduate and professional research levels.
Author | : Arieh Ben-Naim |
Publisher | : Oxford University Press |
Total Pages | : 399 |
Release | : 2006-07-27 |
Genre | : Science |
ISBN | : 0199299692 |
Download Molecular Theory of Solutions Book in PDF, ePub and Kindle
This book presents new and updated developments in the molecular theory of mixtures and solutions. It is based on the theory of Kirkwood and Buff which was published more than fifty years ago. This theory has been dormant for almost two decades. It has recently become a very powerful and general tool to analyze, study and understand any type of mixtures from the molecular, or the microscopic point of view. The traditional approach to mixture has been, for many years, based on the study of excess thermodynamic quantities. This provides a kind of global information on the system. The new approach provides information on the local properties of the same system. Thus, the new approach supplements and enriches our information on mixtures and solutions.
Author | : Sylvio Canuto |
Publisher | : Springer Science & Business Media |
Total Pages | : 536 |
Release | : 2010-07-03 |
Genre | : Science |
ISBN | : 1402082703 |
Download Solvation Effects on Molecules and Biomolecules Book in PDF, ePub and Kindle
This volume is an interdisciplinary treatise on the theoretical approach to solvation problems. It describes the essential details of the theoretical methods and places them into the context of modern applications, and hence is of broad interest to theoreticians and experimentalists. The assembly of these modern methods and applications into one volume is a unique contribution to date and gives a broad and ample description of the field in its present stage of development.
Author | : Arieh Ben-Naim |
Publisher | : World Scientific |
Total Pages | : 482 |
Release | : 2009 |
Genre | : Science |
ISBN | : 9814350532 |
Download Molecular Theory of Water and Aqueous Solutions: The role of water in protein folding, self-assembly and molecular recognition Book in PDF, ePub and Kindle
"The aim of this book is to explain the unusual properties of both pure liquid water and simple aqueous solutions, in terms of the properties of single molecules and interactions among small numbers of water molecules. It is mostly the result of the author's own research spanning over 40 years in the field of aqueous solutions."--Jacket.
Author | : Lucjan Piela |
Publisher | : Elsevier |
Total Pages | : 1122 |
Release | : 2006-11-28 |
Genre | : Science |
ISBN | : 0080466761 |
Download Ideas of Quantum Chemistry Book in PDF, ePub and Kindle
Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. The structure of the book (a TREE-form) emphasizes the logical relationships between various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field.Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestable sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry. The book is supplemented by an appendix on the Internet. * Presents the widest range of quantum chemical problems covered in one book * Unique structure allows material to be tailored to the specific needs of the reader * Informal language facilitates the understanding of difficult topics