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Fluctuation Theory Of Solutions
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Book Synopsis Fluctuation Theory of Solutions by : Paul E. Smith
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
Book Synopsis Thermodynamic Properties of Fluids from Fluctuation Solution Theory by :
Download or read book Thermodynamic Properties of Fluids from Fluctuation Solution Theory written by and published by . This book was released on 1990 with total page 23 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fluctuation Theory develops exact relations between integrals of molecular correlation functions and concentration derivatives of pressure and chemical potential. These quantities can be usefully correlated, particularly for mechanical and thermal properties of pure and mixed dense fluids and for activities of strongly nonideal liquid solutions. The expressions yield unique formulae for the desirable thermodynamic properties of activity and density. The molecular theory origins of the flucuation properties, their behavior for systems of technical interest and some of their successful correlations will be described. Suggestions for fruitful directions will be suggested.
Book Synopsis Fluctuation Solution Theory by : Elizabeth Anne Ploetz
Download or read book Fluctuation Solution Theory written by Elizabeth Anne Ploetz and published by . This book was released on 2014 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The Kirkwood-Buff (KB) theory of solutions, published in 1951, established a route from integrals over radial (pair) distribution functions (RDFs) in the grand canonical ensemble to a set of thermodynamic quantities in an equivalent closed ensemble. These "KB integrals" (KBIs) can also be expressed in terms of the particle-particle (i.e., concentration or density) fluctuations within grand canonical ensemble regions. Contributions by Ben-Naim in 1977 provided the means to obtain the KBIs if one already knew the set of thermodynamic quantities for the mixture of interest; that is, he provided the inversion procedure. Thus, KB theory provides a two-way bridge between local (microscopic) and global (bulk/thermodynamic) properties. Due to its lack of approximations, its wide ranging applicability, and the absence of a competitive theory for rigorously understanding liquid mixtures, it has been used to understand solution microheterogeneity, solute solubility, cosolvent effects on biomolecules, preferential solvation, etc. Here, after using KB theory to test the accuracy of pair potentials, we present and illustrate two extensions of the theory, resulting in a general Fluctuation Solution Theory (FST). First, we generalize KB theory to include two-way relationships between the grand canonical ensemble's particle-energy and energy-energy fluctuations and additional thermodynamic quantities. This extension allows for non-isothermal conditions to be considered, unlike traditional KB theory. We illustrate these new relationships using analyses of experimental data and molecular dynamics (MD) simulations for pure liquids and binary mixtures. Furthermore, we use it to obtain conformation-specific infinitely dilute partial molar volumes and compressibilities for proteins (other properties will follow) from MD simulations and compare the method to a non-FST method for obtaining the same properties. The second extension of KB theory involves moving beyond doublet particle fluctuations to additionally consider triplet and quadruplet particle fluctuations, which are related to derivatives of the thermodynamic properties involved in regular KB theory. We present these higher order fluctuations obtained from experiment and simulation for pure liquids and binary mixtures. Using the newfound experimental third and fourth cumulants of the distribution of particles in solution, which can be extracted from bulk thermodynamic data using this extension, we also probe particle distributions' non-Gaussian nature.
Book Synopsis Structure, Fluctuation, and Relaxation in Solutions by : H. Nomura
Download or read book Structure, Fluctuation, and Relaxation in Solutions written by H. Nomura and published by Elsevier. This book was released on 1995-12-20 with total page 469 pages. Available in PDF, EPUB and Kindle. Book excerpt: The results of a special research project carried out for "Molecular Approaches to Non-equilibrium Process in Solution" were presented during The 42nd Yamada Conference on "Structure, Fluctuation and Relaxation in Solution" which was held from 11-15 December, 1994. The following topics were discussed at the conference: 1. Solvation Dynamics 2. Relaxation, Fluctuation and Reaction Dynamics 3. Dynamic Structure and Reaction Mechanisms in Solutions. These topics were the main concern of this conference.
Book Synopsis Fluctuation Solution Theory for Strong Electrolyte Solutions by : Yeqiong Hu
Download or read book Fluctuation Solution Theory for Strong Electrolyte Solutions written by Yeqiong Hu and published by . This book was released on 1997 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Dynamic Spin-Fluctuation Theory of Metallic Magnetism by : Nikolai B. Melnikov
Download or read book Dynamic Spin-Fluctuation Theory of Metallic Magnetism written by Nikolai B. Melnikov and published by Springer. This book was released on 2018-08-02 with total page 287 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a theoretical framework for magnetism in ferromagnetic metals and alloys at finite temperatures. The objective of the book is twofold. First, it gives a detailed presentation of the dynamic spin-fluctuation theory that takes into account both local and long-wave spin fluctuations with any frequency. The authors provide a detailed explanation of the fundamental role of quantum spin fluctuations in the mechanism of metallic magnetism and illustrate the theory with concrete examples. The second objective of the book is to give an accurate and self-contained presentation of many-body techniques such as the functional integral method and Green's functions, via a number of worked examples. These computational methods are of great use to solid state physicists working in a range of specialties. The book is intended primarily for researchers, but can also be used as textbook. The introductory chapters offer clear and complete derivations of the fundamentals, which makes the presentation self-contained. The main text is followed by a number of well-organized appendices that contain a detailed presentation of the necessary many-body techniques and computational methods. The book also includes a list of symbols and detailed index. This volume will be of interest to a wide range of physicists interested in magnetism and solid state physics in general, both theoreticians and experimentalists.
Book Synopsis Thermodynamics of Solutions by : Eli Ruckenstein
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.
Book Synopsis Some Applications of Fluctuation Solution Theory to Multiphase Systems of Nonelectrolytes by : Enrique Angel Campanella
Download or read book Some Applications of Fluctuation Solution Theory to Multiphase Systems of Nonelectrolytes written by Enrique Angel Campanella and published by . This book was released on 1984 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Application of Fluctuation Solution Theory to Strong Electrolyte Solutions by : Heriberto Cabezas
Download or read book Application of Fluctuation Solution Theory to Strong Electrolyte Solutions written by Heriberto Cabezas and published by . This book was released on 1985 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fluctuation solution theory relates derivatives of the thermodynamic properties to spatial integrals of the direct correlation functions. This formalism has been used as the basis for a model of aqueous strong electrolyte solutions which gives both volumetric properties and activities. The main thrust of the work has been the construction of a microscopic model for the direct correlation functions. This model contains the correlations due to the hard core repulsion, long range field interactions, and short range forces. The hard core correlations are modeled with a hard sphere expression derived from the Percus-Yevick theory. The long range field correlations are accounted for by using asymptotic potentials of mean force and the hypernetted chain equation. The short range correlations which include hydration and hydrogen bonding are modeled with a density expansion of the direct correlation function. The model requires six parameters for each ion and two for water. The ionic parameters are valid for all solution and those for water are universal. The model has been used to calculate derivative properties for six 1:1 electrolytes in water at 25c, 1 ATM, the calculated properties have been compared to experimentally determined values in order to confirm the adequacy of the model.
Book Synopsis Fluctuations of Lévy Processes with Applications by : Andreas E. Kyprianou
Download or read book Fluctuations of Lévy Processes with Applications written by Andreas E. Kyprianou and published by Springer Science & Business Media. This book was released on 2014-01-09 with total page 461 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lévy processes are the natural continuous-time analogue of random walks and form a rich class of stochastic processes around which a robust mathematical theory exists. Their application appears in the theory of many areas of classical and modern stochastic processes including storage models, renewal processes, insurance risk models, optimal stopping problems, mathematical finance, continuous-state branching processes and positive self-similar Markov processes. This textbook is based on a series of graduate courses concerning the theory and application of Lévy processes from the perspective of their path fluctuations. Central to the presentation is the decomposition of paths in terms of excursions from the running maximum as well as an understanding of short- and long-term behaviour. The book aims to be mathematically rigorous while still providing an intuitive feel for underlying principles. The results and applications often focus on the case of Lévy processes with jumps in only one direction, for which recent theoretical advances have yielded a higher degree of mathematical tractability. The second edition additionally addresses recent developments in the potential analysis of subordinators, Wiener-Hopf theory, the theory of scale functions and their application to ruin theory, as well as including an extensive overview of the classical and modern theory of positive self-similar Markov processes. Each chapter has a comprehensive set of exercises.
Book Synopsis Theory of Solutions by : John G. Kirkwood
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:
Book Synopsis The Physics and Chemistry of Aqueous Ionic Solutions by : M.C. Bellissent-Funel
Download or read book The Physics and Chemistry of Aqueous Ionic Solutions written by M.C. Bellissent-Funel and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 479 pages. Available in PDF, EPUB and Kindle. Book excerpt: J.E. Enderby At the last NATO-ASI on liquids held in Corsica, (August 1977),Professor de Gennes, in his summary of that meeting, suggested that the next ASI should concentrate on some specific aspect of the subject and mentioned explicitly ionic solutions as one possibility. The challenge was taken up by Marie-Claire Bellissent-Funel and George Neilson; I am sure that all the participants would wish to congratulate our two colleagues for putting together an outstanding programme of lectures, round tables and poster session. The theory which underlies the subject was covered by four leading authorities: J.-P. Hansen (Paris) set out the general framework in terms of the statistical mechanics of bulk and surface properties; H.L. Friedman (Stony Brook) focused attention on ionic liquids at equilibrium, and J.B. Hubbard considered non-equilibrium properties such as the electrical conductivity and ionic friction coefficients. Finally, the basic theory of polyelectrolytes treated as charged linear polymers in aqueous solution was presented by J.M. Victor (Paris).
Book Synopsis Physical Principles and Techniques of Protein Chemistry Part B by : Sydney Leach
Download or read book Physical Principles and Techniques of Protein Chemistry Part B written by Sydney Leach and published by Elsevier. This book was released on 2012-12-02 with total page 508 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physical Principles and Techniques of Protein Chemistry, Part B deals with the theories and application of selected physical methods in protein chemistry evaluation. This book is divided into seven chapters that cover the ultracentrifugal analysis, light scattering, infrared (IR) methods, nuclear magnetic resonance (NMR) spectroscopy, and differential thermal analysis of protein properties. This text first describes the fundamental ideas and methodology of sedimentation analysis of ideal noninteracting solutes and the problems of nonideality and solute-solute interaction. This book then deals with the problems involved in the interpretation of viscometric data for evaluation of intrinsic viscosity of proteins. The following chapters examine the principles, measurement and analysis of spectra, and experimental techniques of light scattering, IR, and NMR spectroscopic methods. Discussions on coordination phenomena, identification of binding sites, and ion binding in the crystalline state and in protein solutions are included. The concluding chapter presents some examples of protein analysis using differential thermal analysis technique. This book is of great value to chemists, biologists, and researchers who have great appreciation of protein chemistry.
Book Synopsis Polymers and Electromagnetic Radiation by : Wolfram Schnabel
Download or read book Polymers and Electromagnetic Radiation written by Wolfram Schnabel and published by John Wiley & Sons. This book was released on 2014-01-10 with total page 361 pages. Available in PDF, EPUB and Kindle. Book excerpt: This first book to cover the interaction of polymers with radiation from the entire electromagnetic spectrum adopts a multidisciplinary approach to bridge polymer chemistry and physics, photochemistry, photophysics and materials science. The text is equally unique in its scope, devoting equal amounts of attention to the three aspects of synthesis, characterization, and applications. The first part deals with the interaction of polymers with non-ionizing radiation in the frequency-range from sub-terahertz via infrared radiation to visible and ultraviolet light, while the second covers interaction with ionizing radiation from the extreme ultraviolet to ?-ray photons. The result is a systematic overview of how both types of radiation can be used for different polymerization approaches, spectroscopy methods and lithography techniques. Authored by a world-renowned researcher and teacher with over 40 years of experience in the field, this is a highly practical and authoritative guide.
Book Synopsis Physical Chemistry of Polymer Solutions by : K. Kamide
Download or read book Physical Chemistry of Polymer Solutions written by K. Kamide and published by Elsevier. This book was released on 2000-10-16 with total page 675 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is mainly concerned with building a narrow but secure ladder which polymer chemists or engineers can climb from the primary level to an advanced level without great difficulty (but by no means easily, either). This book describes some fundamentally important topics, carefully chosen, covering subjects from thermodynamics to molecular weight and its distribution effects. For help in self-education the book adopts a "Questions and Answers" format. The mathematical derivation of each equation is shown in detail. For further reading, some original references are also given. Numerous physical properties of polymer solutions are known to be significantly different from those of low molecular weight solutions. The most probable explanation of this obvious discrepancy is the large molar volume ratio of solute to solvent together with the large number of consecutive segments that constitute each single molecule of the polymer chains present as solute. Thorough understanding of the physical chemistry of polymer solutions requires some prior mathematical background in its students. In the original literature, detailed mathematical derivations of the equations are universally omitted for the sake of space-saving and simplicity. In textbooks of polymer science only extremely rough schemes of the theories and then the final equations are shown. As a consequence, the student cannot learn, unaided, the details of the theory in which he or she is interested from the existing textbooks; however, without a full understanding of the theory, one cannot analyze actual experimental data to obtain more basic and realistic physical quantities. In particular, if one intends to apply the theories in industry, accurate understanding and ability to modify the theory are essential.
Book Synopsis The Potential Distribution Theorem and Models of Molecular Solutions by : Tom L. Beck
Download or read book The Potential Distribution Theorem and Models of Molecular Solutions written by Tom L. Beck and published by Cambridge University Press. This book was released on 2006-08-31 with total page 245 pages. Available in PDF, EPUB and Kindle. Book excerpt: An understanding of statistical thermodynamic molecular theory is fundamental to the appreciation of molecular solutions. This complex subject has been simplified by the authors with down-to-earth presentations of molecular theory. Using the potential distribution theorem (PDT) as the basis, the text provides a discussion of practical theories in conjunction with simulation results. The authors discuss the field in a concise and simple manner, illustrating the text with useful models of solution thermodynamics and numerous exercises. Modern quasi-chemical theories that permit statistical thermodynamic properties to be studied on the basis of electronic structure calculations are given extended development, as is the testing of those theoretical results with ab initio molecular dynamics simulations. The book is intended for students taking up research problems of molecular science in chemistry, chemical engineering, biochemistry, pharmaceutical chemistry, nanotechnology and biotechnology.
Book Synopsis Modern Theory of Polymer Solutions by : Hiromi Yamakawa
Download or read book Modern Theory of Polymer Solutions written by Hiromi Yamakawa and published by . This book was released on 1971 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt:
