Single Ion Solvation
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Single Ion Solvation
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Author : Philippe Hunenberger
language : en
Publisher: Royal Society of Chemistry
Release Date : 2015-10-20
Single Ion Solvation written by Philippe Hunenberger and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-10-20 with Science categories.
Ions are ubiquitous in chemical, technological, ecological and biological processes. Characterizing their role in these processes in the first place requires the evaluation of the thermodynamic parameters associated with the solvation of a given ion. However, due to the constraint of electroneutrality, the involvement of surface effects and the ambiguous connection between microscopic and macroscopic descriptions, the determination of single-ion solvation properties via both experimental and theoretical approaches has turned out to be a very difficult and highly controversial problem. This unique book provides an up-to-date, compact and consistent account of the research field of single-ion solvation thermodynamics that has over one hundred years of history and still remains largely unsolved. By reviewing the various approaches employed to date, establishing the relevant connections between single-ion thermodynamics and electrochemistry, resolving conceptual ambiguities, and giving an exhaustive data compilation (in the context of alkali and halide hydration), this book provides a consistent synthesis, in depth understanding and clarification of a large and sometimes very confusing research field. The book is primarily aimed at researchers (professors, postgraduates, graduates, and industrial researchers) concerned with processes involving ionic solvation properties (these are ubiquitous, eg. in physical/organic/analytical chemistry, electrochemistry, biochemistry, pharmacology, geology, and ecology). Because of the concept definitions and data compilations it contains, it is also a useful reference book to have in a university library. Finally, it may be of general interest to anyone wanting to learn more about ions and solvation. Key features: - discusses both experimental and theoretical approaches, and establishes the connection between them - provides both an account of the past research (covering over one hundred years) and a discussion of current directions (in particular on the theoretical side) - involves a comprehensive reference list of over 2000 citations - employs a very consistent notation (including table of symbols and unambiguous definitions of all introduced quantities) - provides a discussion and clarification of ambiguous concepts (ie. concepts that have not been defined clearly, or have been defined differently by different authors, leading to confusion in past literature) - encompasses an exhaustive data compilation (in the restricted context of alkali and halide hydration), along with recommended values (after critical analysis of this literature data) - is illustrated by a number of synoptic colour figures, that will help the reader to grasp the connections between different concepts in one single picture
Single Ion Solvation Properties Using Atomistic Simulation
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Author : Maria Magdalena Reif
language : en
Publisher:
Release Date : 2010
Single Ion Solvation Properties Using Atomistic Simulation written by Maria Magdalena Reif and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010 with categories.
Application Of The Mean Spherical Approximation To The Estimations Of Single Ion Thermodynamic Quantities Of Solvation For Monoatomic Monovalent Ions In Aqueous Solutions
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Author :
language : en
Publisher:
Release Date : 1992
Application Of The Mean Spherical Approximation To The Estimations Of Single Ion Thermodynamic Quantities Of Solvation For Monoatomic Monovalent Ions In Aqueous Solutions written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992 with categories.
The expression for the Gibbs energy of solvation for simple 1-1 electrolytes within the mean spherical approximation has been fitted to data for 20 alkali metal halides in water. In performing this fit, one needs to assume a radius for each ion, the Pauling values often having been chosen in the past. The MSA parameters appear as corrections to these radii and are different for cations and anions. Two sets of ionic radii were considered, the Pauling values from crystallographic data and values based on X-ray diffraction results obtained in aqueous solutions. Excellent fits between theory and experiment were obtained, the results with the latter set of radii being preferred. This analysis provides an extrathermodynamic route to single ion solvation free energies and yields results which are very close to the real free energy of solvation measured by Randles.
Ion Solvation
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Author : Y. Marcus
language : en
Publisher: John Wiley & Sons
Release Date : 1985
Ion Solvation written by Y. Marcus 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 1985 with Science categories.
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.
Preferential Solvation Of Single Ions In Mixed Solvents
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Author : Aarti C. Regee
language : en
Publisher:
Release Date : 1999
Preferential Solvation Of Single Ions In Mixed Solvents written by Aarti C. Regee and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1999 with Acetonitrile categories.
Ions In Water Free Energies Surface Effects And Geometrical Constraints
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Author :
language : en
Publisher:
Release Date : 2002
Ions In Water Free Energies Surface Effects And Geometrical Constraints written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002 with categories.
In this work, we present our results for ion solvation in finite and infinite water clusters. Molecular Dynamic simulations are used to connect the fundamental macroscopic quantities such as free energy, internal energy and entropy with the underlying microscopic description. Molecular dynamics studies complement experimental results and lead to a deeper insight into the solvation and diffusion of ionic species. Beyond its intrinsic interest, the ion solvation problem has practical relevance because of its role as ideal model system with which to construct and test ion-water interaction potentials. The ionic charging free energy is a very sensitive probe for the treatment of electrostatics in any given simulation setting. In this work, we present methods to compute the ionic charging free energy in systems characterized by atomic charges, and higher-order multipoles, mainly dipoles and quadrupoles. The results of these methods under periodic boundary conditions and spherical boundary conditions are then compared. For the treatment of spherical boundary conditions, we introduce a generalization of Gauss' law that links the microscopic variables to the relevant thermodynamic quantities. Ionic solvation in finite clusters is a problem relevant for many areas of chemistry and biology, such as the gas-liquid interface of tropospheric aerosol particles, or the interphase between water and proteins, membranes, etc. Careful evaluations of the free energy, internal energy and entropy are used to address controversial or unresolved issues, related to the underlying physical cause of surface solvation, and the basic assumptions that go with it. Our main conclusions are the following: (i) The main cause of surface solvation of a single ion in a water cluster is both water and ion polarization, coupled to the charge and size of the ion. Interestingly, the total energy of the ion increases near the cluster surface, while the total energy of water decreases. Also, our analysis cl.
Ions In Solution And Their Solvation
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Author : Yizhak Marcus
language : en
Publisher: John Wiley & Sons
Release Date : 2015-08-03
Ions In Solution And Their Solvation written by Yizhak Marcus 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 2015-08-03 with Science categories.
The book starts with an exposition of the relevant properties of ions and continues with a description of their solvation in the gas phase. The book contains a large amount of factual information in the form of extensive tables of critically examined data and illustrations of the points made throughout. It covers: the relevant properties of prospective liquid solvents for the ions the process of the transfer of ions from the gas phase into a liquid where they are solvated various aspects of the solutions of the ions, such as structural and transport ones and the effects of the ions on the solvent dynamics and structure what happens in cases where the solvent is a mixture selective solvation takes place applications of the concepts expounded previously in fields such as electrochemistry, hydrometallurgy, separation chemistry, biophysics, and synthetic methods
Ionic Solvation
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Author : Gennadiĭ Alekseevich Krestov
language : en
Publisher: Prentice Hall
Release Date : 1994
Ionic Solvation written by Gennadiĭ Alekseevich Krestov and has been published by Prentice Hall this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994 with Science categories.
This comprehensive, widely-read anthology presents cogent and provocativearticles from differing political perspectives on major issues in post-World WarII America. The fourth edition is considerably expanded to include newselections on the AIDS epidemic, gay rights, the women's movement, and theClinton-Gore administration. In addition to articles by leading historians theeditors have chosen first-person accounts by participants in each of the issuesunder discussion, from Martin Luther King, Jr.'s "Letter from the BirminghamJail" to Al Gore's speech on environmentalism. With lively introductions to eachsection providing a context for the articles, this book helps students makesense of the tumultuous world of our time.
Solvent Effects On Chemical Phenomena
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Author : Edward Amis
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Solvent Effects On Chemical Phenomena written by Edward Amis and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
Solvent Effects on Chemical Phenomena, Volume I discusses the developments in the understanding of solvent effects on chemical phenomena in solution. This five-chapter volume begins with a discussion on the general concepts of various solvation types, including positive and negative, inner and outer sphere, and mixed component. The subsequent chapter deals with the determination of the actual solvation number for single ions. A short list of the total effective hydration numbers of electrolytes determined from temperature dependence of proton shifts is also provided in this chapter. Another chapter presents a number of examples of the unusual properties of certain mixed aqueous systems. The solvent effects on reaction rates and mechanisms are highlighted in the concluding chapter. This chapter also covers various types of solvents, such as protic and dipolar aprotic. The enthalpy and entropy of activation in salvation and the Finkelstein reactions are also discussed. Research chemists and scientists, teachers, and students with courses in solution chemistry will greatly benefit from this volume.
Interfacial Ion Density Profiles In A Model Polar Solvent
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Author : Bradley Scott Compton
language : en
Publisher:
Release Date : 2006
Interfacial Ion Density Profiles In A Model Polar Solvent written by Bradley Scott Compton and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006 with categories.