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Author : Martin D. Ellegaard
Publisher :
ISBN 13 : 9788792481474
Total Pages : pages
Book Rating : 4.4/5 (814 download)
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:
Author : Paul E. Smith
Publisher : CRC Press
ISBN 13 : 1439899231
Total Pages : 383 pages
Book Rating : 4.4/5 (398 download)
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
Author :
Publisher :
ISBN 13 :
Total Pages : 23 pages
Book Rating : 4.:/5 (727 download)
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.
Author : Eli Ruckenstein
Publisher : Springer Science & Business Media
ISBN 13 : 1441904409
Total Pages : 349 pages
Book Rating : 4.4/5 (419 download)
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.
Author : Lloyd L Lee
Publisher : World Scientific
ISBN 13 : 9811233012
Total Pages : 295 pages
Book Rating : 4.8/5 (112 download)
Download or read book Molecular Thermodynamics Of Electrolyte Solutions (Second Edition) written by Lloyd L Lee and published by World Scientific. This book was released on 2021-01-07 with total page 295 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electrolytes and salt solutions are ubiquitous in chemical industry, biology and nature. This unique compendium introduces the elements of the solution properties of ionic mixtures. In addition, it also serves as a bridge to the modern researches into the molecular aspects of uniform and non-uniform charged systems. Notable subjects include the Debye-Hückel limit, Pitzer's formulation, Setchenov salting-out, and McMillan-Mayer scale. Two new chapters on industrial applications — natural gas treating, and absorption refrigeration, are added to make the book current and relevant.This textbook is eminently suitable for undergraduate and graduate students. For practicing engineers without a background in salt solutions, this introductory volume can also be used as a self-study.
Author : John M. Prausnitz
Publisher : Pearson Education
ISBN 13 : 0132440504
Total Pages : 1149 pages
Book Rating : 4.1/5 (324 download)
Download or read book Molecular Thermodynamics of Fluid-Phase Equilibria written by John M. Prausnitz and published by Pearson Education. This book was released on 1998-10-22 with total page 1149 pages. Available in PDF, EPUB and Kindle. Book excerpt: The classic guide to mixtures, completely updated with new models, theories, examples, and data. Efficient separation operations and many other chemical processes depend upon a thorough understanding of the properties of gaseous and liquid mixtures. Molecular Thermodynamics of Fluid-Phase Equilibria, Third Edition is a systematic, practical guide to interpreting, correlating, and predicting thermodynamic properties used in mixture-related phase-equilibrium calculations. Completely updated, this edition reflects the growing maturity of techniques grounded in applied statistical thermodynamics and molecular simulation, while relying on classical thermodynamics, molecular physics, and physical chemistry wherever these fields offer superior solutions. Detailed new coverage includes: Techniques for improving separation processes and making them more environmentally friendly. Theoretical concepts enabling the description and interpretation of solution properties. New models, notably the lattice-fluid and statistical associated-fluid theories. Polymer solutions, including gas-polymer equilibria, polymer blends, membranes, and gels. Electrolyte solutions, including semi-empirical models for solutions containing salts or volatile electrolytes. Coverage also includes: fundamentals of classical thermodynamics of phase equilibria; thermodynamic properties from volumetric data; intermolecular forces; fugacities in gas and liquid mixtures; solubilities of gases and solids in liquids; high-pressure phase equilibria; virial coefficients for quantum gases; and much more. Throughout, Molecular Thermodynamics of Fluid-Phase Equilibria strikes a perfect balance between empirical techniques and theory, and is replete with useful examples and experimental data. More than ever, it is the essential resource for engineers, chemists, and other professionals working with mixtures and related processes.
Author : Viktor Holubec
Publisher : Springer
ISBN 13 : 3319070916
Total Pages : 161 pages
Book Rating : 4.3/5 (19 download)
Download or read book Non-equilibrium Energy Transformation Processes written by Viktor Holubec and published by Springer. This book was released on 2014-05-22 with total page 161 pages. Available in PDF, EPUB and Kindle. Book excerpt: Various experimental techniques have been advanced in recent years to measure non-equilibrium energy transformations on the microscopic scale of single molecules. In general, the systems studied in the corresponding experiments are exposed to strong thermal fluctuations and thus the relevant energetic variables such as work and heat become stochastic. This thesis addresses challenging theoretical problems in this active field of current research: 1) Exact analytical solutions of work and heat distributions for isothermal non-equilibrium processes in suitable models are obtained; 2) Corresponding solutions for cyclic processes involving two different heat reservoirs are found; 3) Optimization of periodic driving protocols for such cyclic processes with respect to maximal output power, efficiency and minimal power fluctuations is studied. The exact solutions for work and heat distributions provide a reference for theoretical investigations of more complicated models, giving insight into the structure of the tail of work distributions and serving as valuable test cases for simulations of the underlying stochastic processes.
Author : Joel Keizer
Publisher : Springer Science & Business Media
ISBN 13 : 1461210542
Total Pages : 517 pages
Book Rating : 4.4/5 (612 download)
Download or read book Statistical Thermodynamics of Nonequilibrium Processes written by Joel Keizer and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 517 pages. Available in PDF, EPUB and Kindle. Book excerpt: The structure of the theory ofthermodynamics has changed enormously since its inception in the middle of the nineteenth century. Shortly after Thomson and Clausius enunciated their versions of the Second Law, Clausius, Maxwell, and Boltzmann began actively pursuing the molecular basis of thermo dynamics, work that culminated in the Boltzmann equation and the theory of transport processes in dilute gases. Much later, Onsager undertook the elucidation of the symmetry oftransport coefficients and, thereby, established himself as the father of the theory of nonequilibrium thermodynamics. Com bining the statistical ideas of Gibbs and Langevin with the phenomenological transport equations, Onsager and others went on to develop a consistent statistical theory of irreversible processes. The power of that theory is in its ability to relate measurable quantities, such as transport coefficients and thermodynamic derivatives, to the results of experimental measurements. As powerful as that theory is, it is linear and limited in validity to a neighborhood of equilibrium. In recent years it has been possible to extend the statistical theory of nonequilibrium processes to include nonlinear effects. The modern theory, as expounded in this book, is applicable to a wide variety of systems both close to and far from equilibrium. The theory is based on the notion of elementary molecular processes, which manifest themselves as random changes in the extensive variables characterizing a system. The theory has a hierarchical character and, thus, can be applied at various levels of molecular detail.
Author : Sow Hsin Chen
Publisher : Springer Science & Business Media
ISBN 13 : 1461389380
Total Pages : 311 pages
Book Rating : 4.4/5 (613 download)
Download or read book Micellar Solutions and Microemulsions written by Sow Hsin Chen and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 311 pages. Available in PDF, EPUB and Kindle. Book excerpt: During the last decade there has been a renewed interest in research on supramolecular assemblies in solutions, such as micelles and microemulsions, not only because of their extensive applications in industries dealing with catalysts, detergency, biotechnology, and enhanced oil recovery, but also due to the development of new and more powerful experimental and theoretical tools for probing the microscopic behavior of these systems. Prominent among the array of the newly available experimental techniques are photon correlation spectroscopy, small-angle neutron and X-ray scattering, and neutron spin-echo and nuclear magnetic resonance spectroscopies. On the theoretical side, the traditionally emphasized thermodynamic approach to the study of the phase behavior of self-assembled systems in solutions is gradually being replaced by statistical mechanical studies of semi-micro scopic and microscopic models of the assemblies. Since the statistical mechanical approach demands as its starting point the microscopic struc tural information of the self-assembled system, the experimental determina tion of the structures of micelles and microemulsions becomes of paramount interest. In this regard the scattering techniques mentioned above have played an important role in recent years and will continue to do so in the future. In applying the scattering techniques to the supramolecular species in solution, one cannot often regard the solution to be ideal. This is because the inter-aggregate interaction is often long-ranged since it is coulombic in nature and the interparticle correlations are thus appreciable.
Author : P. Glansdorff
Publisher : John Wiley & Sons
ISBN 13 :
Total Pages : 346 pages
Book Rating : 4.3/5 (91 download)
Download or read book Thermodynamic Theory of Structure, Stability and Fluctuations written by P. Glansdorff and published by John Wiley & Sons. This book was released on 1971 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: Glossary of principal symbols
Author : John Charles Telotte
Publisher :
ISBN 13 :
Total Pages : 334 pages
Book Rating : 4.:/5 (145 download)
Download or read book Thermodynamic Properties of Multicomponent Mixtures from the Solution of Groups Approach to Direct Correlation Function Solution Theory written by John Charles Telotte and published by . This book was released on 1985 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: A solution of groups technique was developed for use with fluctuation solution theory. The general expressions for calculation of pressure and chemical potential changes from some fixed reference states have been shown. A new corresponding states theory correlation for direct correlation function integrals was proposed and used with the group contribution technique for calculation of pressure changes during compression for several n-alkanes and methanol. This work gives a detailed analysis of the RISM theory of liquids. Shown are new results for perturbation theory and a generalized compressibility theorem for RISM fluids. The use of the RISM theory for calculation of thermodynamic properties of real fluids also is given. The use of hard sphere reference fluids for development of equations of state has been explored. A generalized hard sphere equation of state was developed. It was shown that the most accurate hard sphere equation of state is not the best reference system for construction of a liquid phase equation of state of the van der Waals form.
Author : J. M. Prausnitz
Publisher : Prentice Hall
ISBN 13 :
Total Pages : 556 pages
Book Rating : 4.:/5 (37 download)
Download or read book Molecular Thermodynamics of Fluid-phase Equilibria written by J. M. Prausnitz and published by Prentice Hall. This book was released on 1969 with total page 556 pages. Available in PDF, EPUB and Kindle. Book excerpt: 97774-4 The classic guide to mixtures, completely updated with new models, theories, examples, and data. Efficient separation operations and many other chemical processes depend upon a thorough understanding of the properties of gaseous and liquid mixtures. Molecular Thermodynamics of Fluid-Phase Equilibria, Third Edition is a systematic, practical guide to interpreting, correlating, and predicting thermodynamic properties used in mixture-related phase-equilibrium calculations. Completely updated, this edition reflects the growing maturity of techniques grounded in applied statistical thermodynamics and molecular simulation, while relying on classical thermodynamics, molecular physics, and physical chemistry wherever these fields offer superior solutions. Detailed new coverage includes: Techniques for improving separation processes and making them more environmentally friendly. Theoretical concepts enabling the description and interpretation of solution properties. New models, notably the lattice-fluid and statistical associated-fluid theories. Polymer solutions, including gas-polymer equilibria, polymer blends, membranes, and gels. Electrolyte solutions, including semi-empirical models for solutions containing salts or volatile electrolytes. Coverage also includes: fundamentals of classical thermodynamics of phase equilibria; thermodynamic properties from volumetric data; intermolecular forces; fugacities in gas and liquid mixtures; solubilities of gases and solids in liquids; high-pressure phase equilibria; virial coefficients for quantum gases; and much more. Throughout, Molecular Thermodynamics ofFluid-Phase Equilibria strikes a perfect balance between empirical techniques and theory, and is replete with useful examples and experimental data. More than ever, it is the essential resource for engineers, chemists, and oth
Author : Arieh Ben-Naim
Publisher : Elsevier
ISBN 13 : 0443219168
Total Pages : 213 pages
Book Rating : 4.4/5 (432 download)
Download or read book The Kirkwood-Buff Theory of Solutions written by Arieh Ben-Naim and published by Elsevier. This book was released on 2023-10-01 with total page 213 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Author : John Telotte
Publisher :
ISBN 13 : 9780530006529
Total Pages : 182 pages
Book Rating : 4.0/5 (65 download)
Download or read book Thermodynamic Properties of Multicomponent Mixtures From the Solution of Groups Approach to Direct Correlation Function Solution Theory written by John Telotte and published by . This book was released on 2019-05-31 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract: A solution of groups technique was developed for use with fluctuation solution theory. The general expressions for calculation of pressure and chemical potential changes from some fixed reference states have been shown. A new corresponding states theory correlation for direct correlation function integrals was proposed and used with the group contribution technique for calculation of pressure changes during compression for several n-alkanes and methanol. This work gives a detailed analysis of the RISM theory of liquids. Shown are new results for perturbation theory and a generalized compressibility theorem for RISM fluids. The use of the RISM theory for calculation of thermodynamic properties of real fluids also is given. The use of hard sphere reference fluids for development of equations of state has been explored. A generalized hard sphere equation of state was developed. It was shown that the most accurate hard sphere equation of state is not the best reference system for construction of a liquid phase equation of state of the van der Waals form. Dissertation Discovery Company and University of Florida are dedicated to making scholarly works more discoverable and accessible throughout the world. This dissertation, "Thermodynamic Properties of Multicomponent Mixtures From the Solution of Groups Approach to Direct Correlation Function Solution Theory" by John Charles Telotte, was obtained from University of Florida and is being sold with permission from the author. A digital copy of this work may also be found in the university's institutional repository, IR@UF. The content of this dissertation has not been altered in any way. We have altered the formatting in order to facilitate the ease of printing and reading of the dissertation.
Author : Dick Bedeaux
Publisher : Royal Society of Chemistry
ISBN 13 : 1782620249
Total Pages : 432 pages
Book Rating : 4.7/5 (826 download)
Download or read book Experimental Thermodynamics Volume X written by Dick Bedeaux and published by Royal Society of Chemistry. This book was released on 2016 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covering recent developments in the theory of non-equilibrium thermodynamics and its applications, this title is aimed at a predominantly, but not exclusively, academic audience of practitioners of thermodynamics and energy conversion.
Author : Lloyd L. Lee
Publisher : Butterworth-Heinemann
ISBN 13 : 1483102114
Total Pages : 510 pages
Book Rating : 4.4/5 (831 download)
Download or read book Molecular Thermodynamics of Nonideal Fluids written by Lloyd L. Lee and published by Butterworth-Heinemann. This book was released on 2016-02-06 with total page 510 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Thermodynamics of Nonideal Fluids serves as an introductory presentation for engineers to the concepts and principles behind and the advances in molecular thermodynamics of nonideal fluids. The book covers related topics such as the laws of thermodynamics; entropy; its ensembles; the different properties of the ideal gas; and the structure of liquids. Also covered in the book are topics such as integral equation theories; theories for polar fluids; solution thermodynamics; and molecular dynamics. The text is recommended for engineers who would like to be familiarized with the concepts of molecular thermodynamics in their field, as well as physicists who would like to teach engineers the importance of molecular thermodynamics in the field of engineering.
Author : Arieh Ben-Naim
Publisher : Oxford University Press
ISBN 13 : 0199299692
Total Pages : 399 pages
Book Rating : 4.1/5 (992 download)
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.
