Solvation Thermodynamics

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Solvation Thermodynamics

Author : Arieh Y. Ben-Naim
Publisher : Springer Science & Business Media
ISBN 13 : 1475765509
Total Pages : 253 pages
Book Rating : 4.4/5 (757 download)

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Book Synopsis Solvation Thermodynamics by : Arieh Y. Ben-Naim

Download or read book Solvation Thermodynamics written by Arieh Y. Ben-Naim and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 253 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Thermodynamics of Solvation

Author : Gennadiĭ Alekseevich Krestov
Publisher : Prentice Hall
ISBN 13 : 9780139150425
Total Pages : 284 pages
Book Rating : 4.1/5 (54 download)

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Book Synopsis Thermodynamics of Solvation by : Gennadiĭ Alekseevich Krestov

Download or read book Thermodynamics of Solvation written by Gennadiĭ Alekseevich Krestov and published by Prentice Hall. This book was released on 1991 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Molecular Theory of Solvation

Author : F. Hirata
Publisher : Springer Science & Business Media
ISBN 13 : 1402025904
Total Pages : 366 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Molecular Theory of Solvation by : F. Hirata

Download or read book Molecular Theory of Solvation written by F. Hirata and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 366 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Single-Ion Solvation

Author : Philippe Hunenberger
Publisher : Royal Society of Chemistry
ISBN 13 : 1782624961
Total Pages : 614 pages
Book Rating : 4.7/5 (826 download)

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Book Synopsis Single-Ion Solvation by : Philippe Hunenberger

Download or read book Single-Ion Solvation written by Philippe Hunenberger and published by Royal Society of Chemistry. This book was released on 2015-10-20 with total page 614 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Ion Solvation

Author : Y. Marcus
Publisher : John Wiley & Sons
ISBN 13 :
Total Pages : 328 pages
Book Rating : 4.:/5 (318 download)

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Book Synopsis Ion Solvation by : Y. Marcus

Download or read book Ion Solvation written by Y. Marcus and published by John Wiley & Sons. This book was released on 1985 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Ions in Solution and their Solvation

Author : Yizhak Marcus
Publisher : John Wiley & Sons
ISBN 13 : 1118892275
Total Pages : 308 pages
Book Rating : 4.1/5 (188 download)

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Book Synopsis Ions in Solution and their Solvation by : Yizhak Marcus

Download or read book Ions in Solution and their Solvation written by Yizhak Marcus and published by John Wiley & Sons. This book was released on 2015-06-18 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Thermodynamics, Solubility and Environmental Issues

Author : Trevor Letcher
Publisher : Elsevier
ISBN 13 : 0080481035
Total Pages : 494 pages
Book Rating : 4.0/5 (84 download)

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Book Synopsis Thermodynamics, Solubility and Environmental Issues by : Trevor Letcher

Download or read book Thermodynamics, Solubility and Environmental Issues written by Trevor Letcher and published by Elsevier. This book was released on 2007-04-20 with total page 494 pages. Available in PDF, EPUB and Kindle. Book excerpt: Environmental problems are becoming an important aspect of our lives as industries grow apace with populations throughout the world. Thermodynamics, Solubility and Environmental Issues highlights some of the problems and shows how chemistry can help to reduce these them. The unifying theme is Solubility – the most basic and important of thermodynamic properties. This informative book looks at the importance and applications of solubility and thermodynamics, in understanding and in reducing chemical pollution in the environment. Written by experts in their respective fields and representing the latest findings in this very important and broad area. A collection of twenty-five chapters cover a wide range of topics including; mining, polymer manufacture and applications, radioactive wastes, industries in general, agro-chemicals, soil pollution and biology, together with the basic theory and recent developments in the modelling of environmental pollutants. - Latest research into solving some of the most important environmental problems - Covering new technologies, new chemicals and new processes eg, biodegradable polymers, ionic liquids and green chemistry - Contains the basic theories and underlying importance of solubility

Modeling Solvent Environments

Author : Michael Feig
Publisher : John Wiley & Sons
ISBN 13 : 3527629262
Total Pages : 334 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Modeling Solvent Environments by : Michael Feig

Download or read book Modeling Solvent Environments written by Michael Feig and published by John Wiley & Sons. This book was released on 2009-12-09 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive view of the current methods for modeling solvent environments with contributions from the leading researchers in the field. Throughout, the emphasis is placed on the application of such models in simulation studies of biological processes, although the coverage is sufficiently broad to extend to other systems as well. As such, this monograph treats a full range of topics, from statistical mechanics-based approaches to popular mean field formalisms, coarse-grained solvent models, more established explicit, fully atomic solvent models, and recent advances in applying ab initio methods for modeling solvent properties.

Thermodynamics of Geothermal Fluids

Author : Andri Stefánsson
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 1501508296
Total Pages : 360 pages
Book Rating : 4.5/5 (15 download)

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Book Synopsis Thermodynamics of Geothermal Fluids by : Andri Stefánsson

Download or read book Thermodynamics of Geothermal Fluids written by Andri Stefánsson and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Predicting Solubility of New Drugs

Author : Alex Avdeef
Publisher : CRC Press
ISBN 13 : 1003826318
Total Pages : 1730 pages
Book Rating : 4.0/5 (38 download)

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Book Synopsis Predicting Solubility of New Drugs by : Alex Avdeef

Download or read book Predicting Solubility of New Drugs written by Alex Avdeef and published by CRC Press. This book was released on 2024-05-27 with total page 1730 pages. Available in PDF, EPUB and Kindle. Book excerpt: In pharmaceutical research, solubility plays a key part in the assessment of pharmacokinetic risks. Poor drug absorption, reduced efficacy, excessive metabolism, and adverse reactions are frequently related to issues of drug solubility. During early discovery research at pharmaceutical companies, many thousands of molecules are considered. Most are rejected due to perceived unfavorable properties. Here the author uses the Wiki-pS0TM database, which forms the backbone of this unique handbook. Also discussed is the emerging class of therapeutically promising research molecules called PROTACs (proteolysis-targeting chimeras), showing a propensity for ‘undruggable’ targets. FEATURES • A comprehensive and unique listing of measured aqueous intrinsic solubility focusing on drug-like and drug-relevant molecules. • The database can be used to predict the solubility of research pharmaceutical molecules. • Includes downloadable files of the database (.csv format). • The mining of the database can result in a better design of solubility assay protocols, leading to better quality of measurements. • Artificial intelligence and Bayesian statistics will likely be key to this subject area in the future. Alex Avdeef has been an American Association of Pharmaceutical Scientists (AAPS) Fellow since 2014, a former visiting senior research fellow at King’s College London, and is the author of Absorption and Drug Development (2nd ed., Wiley, 2012). In 2021, the book was translated into Chinese, by translators affiliated with the China Food and Drug Administration. For nearly 50 years, he has been teaching, researching, and developing methods, instruments, and analysis software for the measurement of ionization constants, solubility, dissolution, and permeability of drugs. His accomplishments in the development of instrumentation include several well-known instruments that are or recently have been manufactured by leading companies in the instrument market, including Thermo Fisher Scientific, Sirius Analytical, and Pion Inc. He has over 200 technical publications in primary scientific journals and book chapters. He has written several comprehensive technical guides and is a co-inventor on six patents. He cofounded Sirius Analytical (UK) in 1989, pION Inc. (USA) in 1996, and founded in–ADME Research (New York City) in 2011. His other positions were at Orion Research, Syracuse University, UC Berkeley, and Caltech.

Solvation Dynamics

Author : Chang Q Sun
Publisher : Springer
ISBN 13 : 981138441X
Total Pages : 316 pages
Book Rating : 4.8/5 (113 download)

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Book Synopsis Solvation Dynamics by : Chang Q Sun

Download or read book Solvation Dynamics written by Chang Q Sun and published by Springer. This book was released on 2019-07-03 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights the latest advances and outlines future trends in aqueous solvation studies from the perspective of hydrogen bond transition by charge injection, which reconciles the solvation dynamics, molecular nonbond interactions, and the extraordinary functionalities of various solutes on the solution bond network and properties. Focus is given on ionic and dipolar electrostatic polarization, O:H nonbond interaction, anti-HB and super-HB repulsion, and solute-solute interactions. Its target audience includes researchers, scientists, and engineers in chemistry, physics, surface and interface science, materials science and engineering.

Solvent-Induced Interactions and Forces in Protein Folding

Author : Arieh Ben-Naim
Publisher : Springer Nature
ISBN 13 : 3031318714
Total Pages : 185 pages
Book Rating : 4.0/5 (313 download)

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Book Synopsis Solvent-Induced Interactions and Forces in Protein Folding by : Arieh Ben-Naim

Download or read book Solvent-Induced Interactions and Forces in Protein Folding written by Arieh Ben-Naim and published by Springer Nature. This book was released on 2023-06-12 with total page 185 pages. Available in PDF, EPUB and Kindle. Book excerpt: This monograph presents the molecular theory and necessary tools for the study of solvent-induced interactions and forces. After introducing the reader to the basic definitions of solvent-induced interactions, the author provides a brief analysis of the statistical thermodynamics. The book thoroughly overviews the connection of those interactions with thermodynamics and consequently focuses on specifically discussing the hydrophobic-hydrophilic interactions and forces. The importance of the implementation of hydrophilic interactions and forces in various biochemical processes is thoroughly analyzed, while evidence based on theory, experiments, and simulated calculations supporting that hydrophilic interactions and forces are far more important than the corresponding hydrophobic effects in many biochemical processes such as protein folding, self-assembly of proteins, molecular recognitions, are described in detail. This title is of great interest to students and researchers working in the fields of chemistry, physics, biochemistry, and molecular biology.

CRC Handbook of Solubility Parameters and Other Cohesion Parameters, Second Edition

Author : Allan F.M. Barton
Publisher : CRC Press
ISBN 13 : 9780849301766
Total Pages : 774 pages
Book Rating : 4.3/5 (17 download)

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Book Synopsis CRC Handbook of Solubility Parameters and Other Cohesion Parameters, Second Edition by : Allan F.M. Barton

Download or read book CRC Handbook of Solubility Parameters and Other Cohesion Parameters, Second Edition written by Allan F.M. Barton and published by CRC Press. This book was released on 1991-10-29 with total page 774 pages. Available in PDF, EPUB and Kindle. Book excerpt: The CRC Handbook of Solubility Parameters and Other Cohesion Parameters, Second Edition, which includes 17 new sections and 40 new data tables, incorporates information from a vast amount of material published over the last ten years. The volume is based on a bibliography of 2,900 reports, including 1,200 new citations. The detailed, careful construction of the handbook develops the concept of solubility parameters from empirical, thermodynamic, and molecular points of view and demonstrates their application to liquid, gas, solid, and polymer systems.

Solubility in Pharmaceutical Chemistry

Author : Christoph Saal
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110558882
Total Pages : 423 pages
Book Rating : 4.1/5 (15 download)

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Book Synopsis Solubility in Pharmaceutical Chemistry by : Christoph Saal

Download or read book Solubility in Pharmaceutical Chemistry written by Christoph Saal and published by Walter de Gruyter GmbH & Co KG. This book was released on 2020-01-20 with total page 423 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the physicochemical fundamentals and biomedical principles of drug solubility. Methods to study and predict solubility in silico and in vitro are described and the role of solubility in a medicinal chemistry and pharmaceutical industry context are discussed. Approaches to modify and control solubility of a drug during the manufacturing process and of the pharmaceutical product are essential practical aspects of this book.

Molecular Theory of Solutions

Author : Arieh Ben-Naim
Publisher : Oxford University Press
ISBN 13 : 0199299692
Total Pages : 399 pages
Book Rating : 4.1/5 (992 download)

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Book Synopsis Molecular Theory of Solutions by : Arieh Ben-Naim

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.

Ion Exchange and Solvent Extraction

Author : Bruce A Moyer
Publisher : CRC Press
ISBN 13 : 1482204312
Total Pages : 296 pages
Book Rating : 4.4/5 (822 download)

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Book Synopsis Ion Exchange and Solvent Extraction by : Bruce A Moyer

Download or read book Ion Exchange and Solvent Extraction written by Bruce A Moyer and published by CRC Press. This book was released on 2013-12-09 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past several decades, the theme of supramolecular chemistry (SC) has permeated nearly all aspects of chemical endeavor. Not surprisingly, it has also pervaded the field of solvent extraction (SX), inspiring the framework for this volume of Ion Exchange and Solvent Extraction. In addition, tools for studying aggregation have grown increasingly sophisticated, leading to a greater understanding of what we now recognize as SC phenomena in SX. Volume 21, Supramolecular Aspects of Solvent Extraction identifies how supramolecular behavior occurs and is studied in the context of SX and how SC is influencing the direction of SX. With contributions by internationally recognized specialists from different fields, this volume examines how principles of SC are being used in advancing the design of new highly selective SX systems and for understanding aggregation phenomena in SX systems. The book begins with a discussion of the nature and definition of SC and its general use in the design of novel SX reagents. Chapter 2 expands the subject of ion-pair recognition to introduce outer-sphere recognition of metal complexes. Chapter 3 reviews the literature on calixarenes as extraction reagents for metal ions. Chapter 4 extends the utility of this chemistry, describing the use of calixarenes for the extraction of biomolecules. Chapter 5 examines the liquid–liquid interface as an expression of supramolecular phenomena in SX, reviewing interfacial aggregation in model two-phase systems and metal extraction systems. The final chapter explores the problem of aggregation in SX, the historical attempts to understand it, and recent progress that has been made in addressing the issue.

Springer Handbook of Electrochemical Energy

Author : Cornelia Breitkopf
Publisher : Springer
ISBN 13 : 3662466570
Total Pages : 1019 pages
Book Rating : 4.6/5 (624 download)

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Book Synopsis Springer Handbook of Electrochemical Energy by : Cornelia Breitkopf

Download or read book Springer Handbook of Electrochemical Energy written by Cornelia Breitkopf and published by Springer. This book was released on 2016-12-05 with total page 1019 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive handbook covers all fundamentals of electrochemistry for contemporary applications. It provides a rich presentation of related topics of electrochemistry with a clear focus on energy technologies. It covers all aspects of electrochemistry starting with theoretical concepts and basic laws of thermodynamics, non-equilibrium thermodynamics and multiscale modeling. It further gathers the basic experimental methods such as potentiometry, reference electrodes, ion-sensitive electrodes, voltammetry and amperometry. The contents cover subjects related to mass transport, the electric double layer, ohmic losses and experimentation affecting electrochemical reactions. These aspects of electrochemistry are especially examined in view of specific energy technologies including batteries, polymer electrolyte and biological fuel cells, electrochemical capacitors, electrochemical hydrogen production and photoelectrochemistry. Organized in six parts, the overall complexity of electrochemistry is presented and makes this handbook an authoritative reference and definitive source for advanced students, professionals and scientists particularly interested in industrial and energy applications.