Molecular Thermodynamics of Associating Systems
Author | : Ioannis George Economou |
Publisher | : |
Total Pages | : |
Release | : 1993 |
Genre | : |
ISBN | : |
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Author | : Ioannis George Economou |
Publisher | : |
Total Pages | : |
Release | : 1993 |
Genre | : |
ISBN | : |
Author | : John M. Prausnitz |
Publisher | : Pearson Education |
Total Pages | : 1149 |
Release | : 1998-10-22 |
Genre | : Science |
ISBN | : 0132440504 |
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 | : Juan H. Vera |
Publisher | : CRC Press |
Total Pages | : 438 |
Release | : 2016-11-25 |
Genre | : Science |
ISBN | : 1315399059 |
This text explores the connections between different thermodynamic subjects related to fluid systems. Emphasis is placed on the clarification of concepts by returning to the conceptual foundation of thermodynamics and special effort is directed to the use of a simple nomenclature and algebra. The book presents the structural elements of classical thermodynamics of fluid systems, covers the treatment of mixtures, and shows via examples and references both the usefulness and the limitations of classical thermodynamics for the treatment of practical problems related to fluid systems. It also includes diverse selected topics of interest to researchers and advanced students and four practical appendices, including an introduction to material balances and step-by-step procedures for using the Virial EOS and the PRSV EOS for fugacities and the ASOG-KT group method for activity coefficients. The Olivera-Fuentes table of PRSV parameters for more than 800 chemical compounds and the Gmehling-Tochigi tables of ASOG interaction parameters for 43 groups are included.
Author | : Xiaohua Lu |
Publisher | : Springer Science & Business Media |
Total Pages | : 282 |
Release | : 2009 |
Genre | : Science |
ISBN | : 3540691146 |
In Molecular Thermodynamics of Complex Systems, the chapter authors critically examine not only the current state of the art in chemical research into structure and bonding, but also look at the direction the subject might take as it develops in future years.
Author | : William George Killian |
Publisher | : |
Total Pages | : 0 |
Release | : 2022 |
Genre | : Electronic dissertations |
ISBN | : |
Revitalized interest in biorenewable materials has revealed some accompanying challenges. For example, many compounds of interest, such as alcohols, are polar and readily self-associate, causing them to behave in a non-ideal manner. Equations of state (EOSs) such as the statistical associating fluid theory (SAFT), cubic plus association (CPA), and Elliot-Suresh-Donohue (ESD) are attractive options for modeling because they explicitly account for hydrogen bonding. However, these EOSs are typically parameterized by fitting macroscopic pressure-volume-temperature data, a practice that ignores molecular measurements of the bonding. Advancing the predictive power of thermodynamic models for polar systems requires molecular-level awareness, which can be provided by spectroscopy. This work implements variable-temperature infrared spectroscopy guided by insight from computational quantum mechanics to quantify the extent of hydrogen bonding in alcohol + cyclohexane systems based on the alcohol's hydroxyl stretching vibration. A new scaling technique is developed that provides for the first time a temperature-independent integrated area for the hydroxyl stretching region. For further validation of the new scaling method, the scaled infrared spectra are correlated to the nuclear magnetic resonance spectra for 1-butanol + cyclohexane and 2-propanol + cyclohexane using quantum calculations with minor empirical adjustments. The infrared measurements are used to parameterize two association constants for each binary system, which are implemented in a new activity coefficient model based on the resummed form of Wertheim's perturbation theory (RTPT). The widely used implementation of one association parameter for each binary (TPT-1) in PC-SAFT, CPA, and ESD is shown to be inadequate for fitting the spectroscopic data. The RTPT model succeeds in recovering the hydroxyl bond type distributions from the infrared measurements. When the association constants from spectroscopy are applied to the modeling of phase equilibria, association is demonstrated to be the dominant contribution to solution non-ideality. When combined with combinatorial and residual models, RTPT provides an improved representation of experimental phase equilibria and excess enthalpies when compared to the TPT-1 model.
Author | : James W. Whalen |
Publisher | : Wiley-Interscience |
Total Pages | : 408 |
Release | : 1991-05-13 |
Genre | : Science |
ISBN | : |
Seeking to introduce molecular thermodynamics in a way that is more congruent with the present day, it approaches the subject from a statistical basis, rather than traditional phenomenological bulk phase behavior and continuum mechanics arguments. Thus, topics are discussed in a different sequence than is encountered in more traditional texts; the presentation of material begins with the molecular argument and later expands to bulk phase behavior. Chapters cover thermal and mechanical processes, structured particle systems and interacting particle systems, multicomponent systems, macroscopic process considerations, electrolyte systems, and more. Worked examples and end-of-chapter problems are included.
Author | : Richard Earl Dickerson |
Publisher | : Addison Wesley Longman |
Total Pages | : 472 |
Release | : 1969 |
Genre | : Science |
ISBN | : |
QUANTUM MECHANICS; STATISTICAL MECHANICS; FIRST LAW AND THERMOCHEMISTRY; SECOND LAWAND FREE ENERGY; THERMODYNAMICS OF PHASE CHANGES AND CHEMICAL REACTIONS; SOLUTIONS; THERMODYNAMICS AND LIVING SYSTEMS.
Author | : J. M. Prausnitz |
Publisher | : Prentice Hall |
Total Pages | : 556 |
Release | : 1969 |
Genre | : Science |
ISBN | : |
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 | : Yu. K. Tovbin |
Publisher | : CRC Press |
Total Pages | : 416 |
Release | : 2018-07-17 |
Genre | : Science |
ISBN | : 0429995393 |
Small systems are a very active area of research and development due to improved instrumentation that allows for spatial resolution in the range of sizes from one to 100 nm. In this size range, many physical and chemical properties change, which opens up new approaches to the study of substances and their practical application. This affects both traditional fields of knowledge and many other new fields including physics, chemistry, biology, etc. This book highlights new developments in statistical thermodynamics that answer the most important questions about the specifics of small systems - when one cannot apply equations or traditional thermodynamic models.
Author | : Joe Su-Shien Lin |
Publisher | : |
Total Pages | : 338 |
Release | : 1980 |
Genre | : Diffusion |
ISBN | : |