The Kirkwood Buff Theory Of Solutions

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The Kirkwood Buff Theory Of Solutions

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Author : Arieh Ben-Naim
language : en
Publisher: Elsevier
Release Date : 2023-10-01

The Kirkwood Buff Theory Of Solutions written by Arieh Ben-Naim and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-10-01 with Science categories.

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

Molecular Theory Of Solutions

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Author : Arieh Ben-Naim
language : en
Publisher: Oxford University Press
Release Date : 2006-07-27

Molecular Theory Of Solutions written by Arieh Ben-Naim and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-07-27 with Science categories.

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.

Theory Of Solutions

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Author : John G. Kirkwood
language : en
Publisher: CRC Press
Release Date : 2001-12

Theory Of Solutions written by John G. Kirkwood and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001-12 with Science categories.

Molecular Thermodynamics Of Electrolyte Solutions

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Author : Lloyd L. Lee
language : en
Publisher: World Scientific
Release Date : 2008

Molecular Thermodynamics Of Electrolyte Solutions written by Lloyd L. Lee and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008 with Science categories.

The introductory textbook provides an update on electrolyte thermodynamics with a molecular perspective. It is eminently suited as an introduction to the solution thermodynamics of ionic mixtures at the undergraduate and graduate level. It is also invaluable for the understanding and design in the engineering of natural gas treating and adsorption refrigeration with electrolytes.

The Notion Of Activity In Chemistry

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Author : Jean-Louis Burgot
language : en
Publisher: Springer
Release Date : 2016-11-26

The Notion Of Activity In Chemistry written by Jean-Louis Burgot and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-11-26 with Science categories.

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.

Fluctuation Theory Of Solutions

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Author : Paul E. Smith
language : en
Publisher: CRC Press
Release Date : 2016-04-19

Fluctuation Theory Of Solutions written by Paul E. Smith and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-04-19 with Medical categories.

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

Biological Macromolecules And Polyelectrolytes In Solution

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Author : Henryk Eisenberg
language : en
Publisher: Oxford University Press, USA
Release Date : 1976

Biological Macromolecules And Polyelectrolytes In Solution written by Henryk Eisenberg and has been published by Oxford University Press, USA this book supported file pdf, txt, epub, kindle and other format this book has been release on 1976 with Language Arts & Disciplines categories.

Atomic Scale Modelling Of Electrochemical Systems

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Author : Marko M. Melander
language : en
Publisher: John Wiley & Sons
Release Date : 2021-09-09

Atomic Scale Modelling Of Electrochemical Systems written by Marko M. Melander and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-09-09 with Science categories.

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.

Molecular Theory Of Solutions

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Author : Arieh Ben-Naim
language : en
Publisher: OUP Oxford
Release Date : 2006-07-27

Molecular Theory Of Solutions written by Arieh Ben-Naim and has been published by OUP Oxford this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-07-27 with Science categories.

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.

Water In Biological And Chemical Processes

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Author : Biman Bagchi
language : en
Publisher: Cambridge University Press
Release Date : 2013-11-14

Water In Biological And Chemical Processes written by Biman Bagchi and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-11-14 with Medical categories.

A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.