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Author: Arieh Y. Ben-Naim
Publisher: Springer Science & Business Media
ISBN: 1475765509
Category : Science
Languages : en
Pages : 253
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Book Description
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: Arieh Y. Ben-Naim
Publisher: Springer Science & Business Media
ISBN: 1475765509
Category : Science
Languages : en
Pages : 253
Get Book Here
Book Description
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: Gennadiĭ Alekseevich Krestov
Publisher: Prentice Hall
ISBN: 9780139150425
Category : Science
Languages : en
Pages : 284
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Book Description
Aimed at scientists interested in the structure and dynamics of aqueous electrolyte solutions, this work examines the concept of the chemical nature of solutions. It shows quantitatively in tabulations of thermodynamic data for metal ions and anions the role of solvents as chemical reagents.
Author: F. Hirata
Publisher: Springer Science & Business Media
ISBN: 1402025904
Category : Science
Languages : en
Pages : 366
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Book Description
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: Oxford University Press
ISBN: 0199299692
Category : Science
Languages : en
Pages : 399
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Book Description
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: Jianzhong Wu
Publisher: John Wiley & Sons
ISBN: 1394161441
Category : Technology & Engineering
Languages : en
Pages : 773
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Book Description
Bridge the gap between thermodynamic theory and engineering practice with this essential textbook Thermodynamics is a discipline which straddles the fields of chemistry, physics, and engineering, and has long been a mainstay of undergraduate and graduate curricula. Conventional thermodynamics courses, however, often ignore modern developments in statistical mechanics, such as molecular simulation methods, cooperative phenomena, phase transitions, universality, as well as liquid-state and polymer theories, despite their close relevance to both fundamental research and engineering practice. Fundamentals and Practice in Statistical Thermodynamics fills this gap with an essential book that applies up-to-date statistical-mechanical techniques to address the most crucial thermodynamics problems found in chemical and materials systems. It is ideally suited to introduce a new generation of researchers and molecular engineers to modern thermodynamic topics with numerous cutting-edge applications. From Fundamentals and Practice in Statistical Thermodynamics readers will also find: An introduction to statistical-mechanical methods including molecular dynamics simulation, Monte Carlo simulation, as well as the molecular theories of phase transitions, classical fluids, electrolyte solutions, polymeric materials, and more Illustrative examples and exercise problems with solutions to facilitate student understanding Supplementary online materials covering the basics of quantum mechanics, density functional theory, variational principles of classical mechanics, intermolecular interactions, and many more subjects Fundamentals and Practice in Statistical Thermodynamics is ideal for graduate and advanced undergraduate students in chemical engineering, biomolecular engineering, environmental engineering, materials science and engineering, and all related scientific subfields of physics and chemistry.
Author: Andri Stefánsson
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 1501508296
Category : Science
Languages : en
Pages : 360
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Book Description
Volume 76 of Reviews in Mineralogy and Geochemistry presents an extended review of the topics conveyed in a short course on Geothermal Fluid Thermodynamics held prior to the 23rd Annual V.M. Goldschmidt Conference in Florence, Italy (August 24-25, 2013). It covers Thermodynamics of Geothermal Fluids, The Molecular-Scale Fundament of Geothermal Fluid Thermodynamics, Thermodynamics of Aqueous Species at High Temperatures and Pressures: Equations of State and Transport Theory, Mineral Solubility and Aqueous Speciation Under Hydrothermal Conditions to 300 °C – The Carbonate System as an Example, Thermodynamic Modeling of Fluid-Rock Interaction at Mid-Crustal to Upper-Mantle Conditions, Speciation and Transport of Metals and Metalloids in Geological Vapors, Solution Calorimetry Under Hydrothermal Conditions, Structure and Thermodynamics of Subduction Zone Fluids from Spectroscopic Studies and Thermodynamics of Organic Transformations in Hydrothermal Fluids.
Author: Arieh Y. Ben-Naim
Publisher: Springer Science & Business Media
ISBN: 1475715986
Category : Science
Languages : en
Pages : 700
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Book Description
This book was planned and written with one central goal in mind: to demonstrate that statistical thermodynamics can be used successfully by a broad group of scientists, ranging from chemists through biochemists to biologists, who are not and do not intend to become specialists in statistical thermodynamics. The book is addressed mainly to gradu ate students and research scientists interested in designing experiments the results of which may be interpreted at the molecular level, or in interpreting such experimental results. It is not addressed to those who intend to practice statistical thermodynamics per se. With this goal in mind, I have expended a great deal of effort to make the book clear, readable, and, I hope, enjoyable. This does not necessarily mean that the book as a whole is easy to read. The first four chapters are very detailed. The last four become progressively more difficult to read, for several reasons. First, presuming that the reader has already acquired familiarity with the methods and arguments presented in the first part, I felt that similar arguments could be skipped later on, leaving the details to be filled in by the reader. Second, the systems themselves become progressively more com plicated as we proceed toward the last chapter.
Author: Y. Marcus
Publisher: John Wiley & Sons
ISBN:
Category : Science
Languages : en
Pages : 328
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Book Description
Chemical reactions generally take place in solution and often involve ions. The behaviour of ions in solution, manifested through ion solvation, is therefore of prime interest in chemistry. This book considers in depth the phenomenology of ion solvation and the models and interpretations that have been proposed as the physical causes for the observed phenomena. It contains a thorough discussion of the statistical thermodynamic background of the solvation process from which a discussion of the actual thermodynamics is developed. This, in turn, serves as a background to the structural and kinetic features of ion solvation.
Author: Werner Kunz
Publisher: World Scientific
ISBN: 9814271586
Category : Medical
Languages : en
Pages : 347
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Book Description
Specific ion effects are important in numerous fields of science and technology. This book summarizes the main ideas that came up over the years. It presents the efforts of theoreticians and supports it by the experimental results stemming from various techniques.
Author: Sylvio Canuto
Publisher: Springer Science & Business Media
ISBN: 1402082703
Category : Science
Languages : en
Pages : 536
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Book Description
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.
