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Fluctuation Solution Theory
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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 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 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 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 Thermodynamic Propertie of Compressed Liquids and Liquid Mixtures from Fluctuation Solution Theory by : Yung Hui Huang
Download or read book Thermodynamic Propertie of Compressed Liquids and Liquid Mixtures from Fluctuation Solution Theory written by Yung Hui Huang and published by . This book was released on 1987 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 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 Thermodynamic Properties of Compressed Liquids and Liquid Mixtures from Fluctuation Solution Theory by : Yung-Hui Huang
Download or read book Thermodynamic Properties of Compressed Liquids and Liquid Mixtures from Fluctuation Solution Theory written by Yung-Hui Huang and published by . This book was released on 1986 with total page 318 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular thermodynamics using fluctuation solution theory by : Martin D. Ellegaard
Download or read book Molecular thermodynamics using fluctuation solution theory written by Martin D. Ellegaard and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Solution Properties for Aqueous Electrolyte Systems Based on Fluctuation Solution Theory by : J. Dale Massie
Download or read book Solution Properties for Aqueous Electrolyte Systems Based on Fluctuation Solution Theory written by J. Dale Massie and published by . This book was released on 1986 with total page 274 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Elements of the Theory of Markov Processes and Their Applications by : A. T. Bharucha-Reid
Download or read book Elements of the Theory of Markov Processes and Their Applications written by A. T. Bharucha-Reid and published by Courier Corporation. This book was released on 2012-04-26 with total page 485 pages. Available in PDF, EPUB and Kindle. Book excerpt: This graduate-level text and reference in probability, with numerous applications to several fields of science, presents nonmeasure-theoretic introduction to theory of Markov processes. The work also covers mathematical models based on the theory, employed in various applied fields. Prerequisites are a knowledge of elementary probability theory, mathematical statistics, and analysis. Appendixes. Bibliographies. 1960 edition.
Download or read book Supercritical Fluids written by E. Kiran and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 775 pages. Available in PDF, EPUB and Kindle. Book excerpt: Supercritical fluids which are neither gas nor liquid, but can be compressed gradually from low to high density, are gaining increasing importance as tunable solvents and reaction media in the chemical process industry. By adjusting the pressure, or more strictly the density, the properties of these fluids are customized and manipulated for the particular process at hand, be it a physical transformation, such as separation or solvation, or a chemical transformation, such as a reaction or reactive extraction. Supercritical fluids, however, differ from both gases and liquids in many respects. In order to properly understand and describe their properties, it is necessary to know the implications of their nearness to criticality, to be aware of the complex types of phase separation (including solid phases) that occur when the components of the fluid mixture are very different from each other, and to develop theories that can cope with the large differences in molecular size and shape of the supercritical solvent and the solutes that are present.
Book Synopsis Statistical Mechanics for Athermal Fluctuation by : Kiyoshi Kanazawa
Download or read book Statistical Mechanics for Athermal Fluctuation written by Kiyoshi Kanazawa and published by Springer. This book was released on 2017-11-20 with total page 231 pages. Available in PDF, EPUB and Kindle. Book excerpt: The author investigates athermal fluctuation from the viewpoints of statistical mechanics in this thesis. Stochastic methods are theoretically very powerful in describing fluctuation of thermodynamic quantities in small systems on the level of a single trajectory and have been recently developed on the basis of stochastic thermodynamics. This thesis proposes, for the first time, a systematic framework to describe athermal fluctuation, developing stochastic thermodynamics for non-Gaussian processes, while thermal fluctuations are mainly addressed from the viewpoint of Gaussian stochastic processes in most of the conventional studies. First, the book provides an elementary introduction to the stochastic processes and stochastic thermodynamics. The author derives a Langevin-like equation with non-Gaussian noise as a minimal stochastic model for athermal systems, and its analytical solution by developing systematic expansions is shown as the main result. Furthermore, the a uthor shows a thermodynamic framework for such non-Gaussian fluctuations, and studies some thermodynamics phenomena, i.e. heat conduction and energy pumping, which shows distinct characteristics from conventional thermodynamics. The theory introduced in the book would be a systematic foundation to describe dynamics of athermal fluctuation quantitatively and to analyze their thermodynamic properties on the basis of stochastic methods.
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 Introduction To The Theory Of Critical Phenomena: Mean Field, Fluctuations And Renormalization (2nd Edition) by : Dimo I Uzunov
Download or read book Introduction To The Theory Of Critical Phenomena: Mean Field, Fluctuations And Renormalization (2nd Edition) written by Dimo I Uzunov and published by World Scientific Publishing Company. This book was released on 2010-08-31 with total page 701 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive introduction to the theory of phase transitions and critical phenomena. The content covers a period of more than 100 years of theoretical research of condensed matter phases and phase transitions providing a clear interrelationship with experimental problems. It starts from certain basic University knowledge of thermodynamics, statistical physics and quantum mechanics. The text is illustrated with classic examples of phase transitions. Various types of phase transition and (multi)critical points are introduced and explained. The classic aspects of the theory are naturally related with the modern developments. This interrelationship and the field-theoretical renormalization group method are presented in details. The main applications of the renormalization group methods are presented. Special attention is paid to the description of quantum phase transitions. This edition contains a more detailed presentation of the renormalization group method and its applications to particular systems.
Book Synopsis Fluctuation Theory of Phase Transitions by : Aleksandr Zakharovich Patashinskiĭ
Download or read book Fluctuation Theory of Phase Transitions written by Aleksandr Zakharovich Patashinskiĭ and published by Pergamon. This book was released on 1979 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt:
