Download or read book The Kirkwood Buff Theory of Solutions written by Arieh Ben-Naim and published by Elsevier. This book was released on 2023-10-01 with total page 213 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Kirkwood-Buff Theory of Solutions: With Selected Applications to Solvation and Proteins presents the Kirkwood-Buff (KB) Theory of solution in a simple and didactic manner, making it understandable to those with minimal background in thermodynamics. Aside from the fact that the KB Theory may be the most important and useful theory of solutions, it is also the most general theory that can be applied to all possible solutions, including aqueous solutions of proteins and nucleic acids. Introductory chapters give readers grounding in the necessary chemical thermodynamics and statistical mechanics, but then move to a systematic derivation of Kirkwood-Buff theory and its inversion. Originally published in 1951, the KB theory was dormant for over 20 years. It became extremely useful after the publication of the "Inversion of the KB theory" by the author Arieh Ben-Naim in 1978. The book explains all necessary concepts in statistical mechanics featured in the theory in a simple and intuitive way. Researchers will find the theory useful in solving any problem in mixtures or solutions in any phase. Some examples of applications of the KB theory, to water, aqueous solutions, protein folding, and self-association of proteins, are provided in the book. Presents an authoritative accounting of the Kirkwood-Buff (KB) Theory of solution as well as the derivation of the inversion of the Kirkwood-Buff Theory Provides a grounding in the necessary chemical thermodynamics and statistical mechanics Features useful examples of the applications of KB Theory to water, aqueous solutions, protein folding, and self-association of proteins Written by world-renowned expert Arieh Ben-Naim, who himself developed the "inversion" of Kirkwood-Buff theory

Download or read book Molecular Theory of Solutions written by Arieh Ben-Naim and published by OUP Oxford. This book was released on 2006-07-27 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Theory of Solutions written by John G. Kirkwood and published by CRC Press. This book was released on 2001-12 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Fluctuation Theory of Solutions written by Paul E. Smith and published by CRC Press. This book was released on 2016-04-19 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: There are essentially two theories of solutions that can be considered exact: the McMillan-Mayer theory and Fluctuation Solution Theory (FST). The first is mostly limited to solutes at low concentrations, while FST has no such issue. It is an exact theory that can be applied to any stable solution regardless of the number of components and their co

Download or read book Molecular Thermodynamics Of Electrolyte Solutions Second Edition written by Lloyd L Lee and published by World Scientific. This book was released on 2021-01-07 with total page 295 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electrolytes and salt solutions are ubiquitous in chemical industry, biology and nature. This unique compendium introduces the elements of the solution properties of ionic mixtures. In addition, it also serves as a bridge to the modern researches into the molecular aspects of uniform and non-uniform charged systems. Notable subjects include the Debye-Hückel limit, Pitzer's formulation, Setchenov salting-out, and McMillan-Mayer scale. Two new chapters on industrial applications — natural gas treating, and absorption refrigeration, are added to make the book current and relevant.This textbook is eminently suitable for undergraduate and graduate students. For practicing engineers without a background in salt solutions, this introductory volume can also be used as a self-study.

Download or read book The Notion of Activity in Chemistry written by Jean-Louis Burgot and published by Springer. This book was released on 2016-11-26 with total page 607 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides deep insight into the physical quantity known as chemical activity. The author probes deep into classical thermodynamics in Part I, and then into statistical thermodynamics in Part II, to provide the necessary background. The treatment has been streamlined by placing some background material in appendices. Chemical Activity is of interest not only to those in chemical thermodynamics, but also to chemical engineers working with mass transfer and its applications - for example, separation methods.

Download or read book Modeling and Understanding Aqueous Mixtures Using Kirkwood Buff Theory of Solutions written by Pritam Ganguly and published by . This book was released on 2013 with total page 157 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Molecular Theory of Solutions written by Arieh Ben-Naim and published by Oxford University Press. This book was released on 2006-07-27 with total page 399 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Application of the Kirkwood Buff Theory to Nonionic and Ionic Solutions written by Yudu Cheng and published by . This book was released on 1993 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Biological Macromolecules and Polyelectrolytes in Solution written by Henryk Eisenberg and published by Oxford University Press, USA. This book was released on 1976 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Thermodynamics of Solutions written by Eli Ruckenstein and published by Springer Science & Business Media. This book was released on 2009-06-17 with total page 349 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book consists of a number of papers regarding the thermodynamics and structure of multicomponent systems that we have published during the last decade. Even though they involve different topics and different systems, they have something in common which can be considered as the “signature” of the present book. First, these papers are concerned with “difficult” or very nonideal systems, i. e. systems with very strong interactions (e. g. , hyd- gen bonding) between components or systems with large differences in the partial molar v- umes of the components (e. g. , the aqueous solutions of proteins), or systems that are far from “normal” conditions (e. g. , critical or near-critical mixtures). Second, the conventional th- modynamic methods are not sufficient for the accurate treatment of these mixtures. Last but not least, these systems are of interest for the pharmaceutical, biomedical, and related ind- tries. In order to meet the thermodynamic challenges involved in these complex mixtures, we employed a variety of traditional methods but also new methods, such as the fluctuation t- ory of Kirkwood and Buff and ab initio quantum mechanical techniques. The Kirkwood-Buff (KB) theory is a rigorous formalism which is free of any of the - proximations usually used in the thermodynamic treatment of multicomponent systems. This theory appears to be very fruitful when applied to the above mentioned “difficult” systems.

Download or read book Modern Thermodynamics written by Arieh Ben-Naim and published by World Scientific Publishing Company. This book was released on 2016-10-27 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The historical development of thermodynamics -- Elements of probability theory -- Shannon's measure of information (SMI) -- Three theorems on Shannon's measure of information -- The entropy function of a classical ideal gas -- Thermodynamics of ideal gas -- The fundamental principles of thermodynamics -- The phase rule and phase diagrams -- Mixtures and solutions -- Chemical equilibrium -- Water and aqueous solutions

Download or read book Statistical Thermodynamics for Chemists and Biochemists written by Arieh Y. Ben-Naim and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 700 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Solvent Mixtures written by Yitzhak Marcus and published by CRC Press. This book was released on 2002-09-10 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: Compiling, comparing, and analyzing research from a wide range of abstracts, journal articles, and Web sites, this reference examines the properties, function, and behavior of binary, ternary, and multicomponent mixtures in the presence and absence of solutes. The author uniformly presents extensive data on the properties of solvent mixtures and describes their structures and interactions. He details the impact of preferential solvation on the environment, action, and components of chemical systems. The book highlights experimental approaches to determine when, and to what extent, preferential solvation has taken place and models for organic, ionic, macromolecular, and biochemical solutes.

Download or read book Thermodynamics and the Free Energy of Chemical Substances written by Gilbert Newton Lewis and published by . This book was released on 1923 with total page 690 pages. Available in PDF, EPUB and Kindle. Book excerpt: The scope of thermodynamics. Definitions; the concept of equilibrium. Conventions and mathematical methods. Solutions. The first law of thermodynamics and the concept of energy. The fugacity. Application of the second law to solutions. The perfect solution. The laws of the dilute solution. Systems involving variables other than pressure, temperature and composition. A useful function, called the activity, and its application to solutions. Change of activity with the temperature, and the calculation of activity from freezing points. The standard change of free energy; the equilibrium constant. Solutions of electrolytes. The activity of strong electrolytes. The activity of electrolytes from freezing point data, and tables of activity coefficients. Activity coefficient in mixed electrolytes; the principle of the ionic strength; the activity of individual ions. The galvanic cell. Single potentials; standard electrode potentials of the elements. The third law of thermodynamics. The entropy of monatomic gases and a table of atomic entropies. Introduction to systematic free energy calculations: the free energy of elementary hydrogen and metallic hydrides. Oxygen and its compouns with hydrogen and with some metals. Chlorine and its compouns. Bromine and its compounds. Iodine and its compounds. Nitrogen compounds. Carbon and some of its compounds. Compounds of carbon and nitrogen. Table of free energies; and examples illustrating its use. Conversion table for mol fractions, mol ratios and molities. Some useful numerical factors. Coefficients employed in converting activity, equilibrium constant and free energy from one temperature to another. Publications by the authrs, pertaining to thermodynamics.

Download or read book Activity Coefficients in Electrolyte Solutions written by Kenneth S. Pitzer and published by CRC Press. This book was released on 2018-05-04 with total page 611 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book was first published in 1991. It considers the concepts and theories relating to mostly aqueous systems of activity coefficients.

Download or read book Atomic Scale Modelling of Electrochemical Systems written by Marko M. Melander and published by John Wiley & Sons. This book was released on 2021-09-09 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomic-Scale Modelling of Electrochemical Systems A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field The first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry. Atomic-Scale Modelling of Electrochemical Systems discusses different ways of including the electrode potential in the computational setup and fixed potential calculations within the framework of grand canonical density functional theory. It examines classical and quantum mechanical models for the solid-liquid interface and formation of an electrochemical double-layer using molecular dynamics and/or continuum descriptions. A thermodynamic description of the interface and reactions taking place at the interface as a function of the electrode potential is provided, as are novel ways to describe rates of heterogeneous electron transfer, proton-coupled electron transfer, and other electrocatalytic reactions. The book also covers multiscale modelling, where atomic level information is used for predicting experimental observables to enable direct comparison with experiments, to rationalize experimental results, and to predict the following electrochemical performance. Uniquely explains how to understand, predict, and optimize the properties and reactivity of electrochemical interfaces starting from the atomic scale Uses an engaging “tutorial style” presentation, highlighting a solid physicochemical background, computational implementation, and applications for different methods, including merits and limitations Bridges the gap between experimental electrochemistry and computational atomistic modelling Written by a team of experts within the field of computational electrochemistry and the wider computational condensed matter community, this book serves as an introduction to the subject for readers entering the field of atom-level electrochemical modeling, while also serving as an invaluable reference for advanced practitioners already working in the field.