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Molecular Simulation Of Temperature Effects On Activity Coefficients For Binary Liquid Mixtures
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Book Synopsis Molecular Simulation of Temperature Effects on Activity Coefficients for Binary Liquid Mixtures by : James Votel
Download or read book Molecular Simulation of Temperature Effects on Activity Coefficients for Binary Liquid Mixtures written by James Votel and published by . This book was released on 2020 with total page 96 pages. Available in PDF, EPUB and Kindle. Book excerpt: Activity coefficients are important for modeling solubility and phase-equilibrium involving liquid mixtures, for a variety of chemical separations such as distillation and extraction. This work seeks to predict the effect of temperature on activity coefficients for binary mixtures using molecular simulations. Methanol-ethanol, methanol-water and hexane-acetone binary liquid mixtures were investigated with molecular dynamic (MD) simulations in both the isothermal-isobaric (NPT) and canonical (NVT) ensembles. From the simulations, the radial distribution function of each atom pair in the system is then used to calculate the two-body entropy term S2 as well as Smix for the mixture. The excess properties of AHEmix and AVEmix from the binary mixtures are calculated from the MD simulations as well. The excess entropic and enthalpic data was then used to calculate partial molar excess enthalpies and entropies at infinite dilution, and the subsequent temperature-dependent scaling exponent of activity coefficients of the binary mixtures at different compositions. The activity coefficients in the infinite dilute region for the binary mixtures were then compared to previous experimental work to affirm that first-principles molecular simulations can accurately predict phase-equilibrium temperature effects for different types of binary mixtures. The results of the ethanol-methanol mixture were in good agreement with the previous work. However, the methanol-water and acetone-hexane strongly suggest that the S2 term is not appropriate in predicting the excess entropy of a mixture by itself.
Book Synopsis Molecular Thermodynamics of Simple Liquid Mixtures by : Charles Alan Eckert
Download or read book Molecular Thermodynamics of Simple Liquid Mixtures written by Charles Alan Eckert and published by . This book was released on 1965 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book NBS Special Publication written by and published by . This book was released on 1978 with total page 790 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Activity Coefficients and Excess Properties of Non-polar Binary Mixtures as Predicted by Osmotic Molecular Dynamics by : Erik S. Ericksen
Download or read book Activity Coefficients and Excess Properties of Non-polar Binary Mixtures as Predicted by Osmotic Molecular Dynamics written by Erik S. Ericksen and published by . This book was released on 1999 with total page 67 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Activity Coefficients at Infinite Dilution for Partially Miscible Liquid Systems by : Georgieanna Lobien
Download or read book Activity Coefficients at Infinite Dilution for Partially Miscible Liquid Systems written by Georgieanna Lobien and published by . This book was released on 1980 with total page 484 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Petroleum Abstracts written by and published by . This book was released on 1997 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Publications by : United States. National Bureau of Standards
Download or read book Publications written by United States. National Bureau of Standards and published by . This book was released on 1980 with total page 668 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Industrial Chemical Separation by : Timothy C. Frank
Download or read book Industrial Chemical Separation written by Timothy C. Frank and published by Walter de Gruyter GmbH & Co KG. This book was released on 2023-08-07 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: A fresh new treatment written by industry insiders, this work gives readers a remarkably clear view into the world of chemical separation. The authors review distillation, extraction, adsorption, crystallization, and the use of membranes – providing historical perspective, explaining key features, and offering insights from personal experience. The book is for engineers and chemists with current or future responsibility for chemical separation on a commercial scale – in its design, operation, or improvement – or for anyone wanting to learn more about chemical separation from an industrial point of view. The result is a compelling survey of popular technologies and the profession, one that brings the art and craft of chemical separation to life. Ever wonder how popular separation technologies came about, how a particular process functions, or how mass transfer units differ from theoretical stages? Or perhaps you want some pointers on how to begin solving a separation problem. You will find clear explanations and valuable insights into these and other aspects of industrial practice in this refreshing new survey.
Book Synopsis Commonly Asked Questions in Thermodynamics by : Marc J. Assael
Download or read book Commonly Asked Questions in Thermodynamics written by Marc J. Assael and published by CRC Press. This book was released on 2022-08-05 with total page 499 pages. Available in PDF, EPUB and Kindle. Book excerpt: CRC Press is pleased to introduce the new edition of Commonly Asked Questions in Thermodynamics, an indispensable resource for those in modern science and engineering disciplines from molecular science, engineering and biotechnology to astrophysics. Fully updated throughout, this edition features two new chapters focused on energy utilization and biological systems. This edition begins by setting out the fundamentals of thermodynamics, including its basic laws and overarching principles. It provides explanations of those principles in an organized manner, using questions that arise frequently from undergraduates in the classroom as the stimulus. These early chapters explore the language of thermodynamics; the first and second laws; statistical mechanical theory; measurement of thermodynamic quantities and their relationships; phase behavior in single and multicomponent systems; electrochemistry; and chemical and biochemical reaction equilibria. The later chapters explore applications of these fundamentals to a diverse set of subjects including power generation (with and without fossil fuels) for transport, industrial and domestic use; heating; decarbonization technologies; energy storage; refrigeration; environmental pollution; and biotechnology. Data sources for the properties needed to complete thermodynamic evaluations of many processes are included. The text is designed for readers to dip into to find an answer to a specific question where thermodynamics can provide some, if not all, of the answers, whether in the context of an undergraduate course or not. Thus its readership extends beyond conventional technical undergraduates to practicing engineers and also to the interested lay person who seeks to understand the discourse that surrounds the choice of particular technological solutions to current and future energy and material production problems.
Book Synopsis Treatment and Recycling of Spent Nuclear Fuel by : Jean-François Parisot
Download or read book Treatment and Recycling of Spent Nuclear Fuel written by Jean-François Parisot and published by . This book was released on 2008 with total page 188 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Recent Awards in Engineering written by and published by . This book was released on 1983 with total page 986 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Publications of the National Bureau of Standards ... Catalog by : United States. National Bureau of Standards
Download or read book Publications of the National Bureau of Standards ... Catalog written by United States. National Bureau of Standards and published by . This book was released on 1978 with total page 788 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Handbook of Aqueous Electrolyte Thermodynamics by : Joseph F. Zemaitis, Jr.
Download or read book Handbook of Aqueous Electrolyte Thermodynamics written by Joseph F. Zemaitis, Jr. and published by John Wiley & Sons. This book was released on 2010-09-16 with total page 876 pages. Available in PDF, EPUB and Kindle. Book excerpt: Expertise in electrolyte systems has become increasingly important in traditional CPI operations, as well as in oil/gas exploration and production. This book is the source for predicting electrolyte systems behavior, an indispensable "do-it-yourself" guide, with a blueprint for formulating predictive mathematical electrolyte models, recommended tabular values to use in these models, and annotated bibliographies. The final chapter is a general recipe for formulating complete predictive models for electrolytes, along with a series of worked illustrative examples. It can serve as a useful research and application tool for the practicing process engineer, and as a textbook for the chemical engineering student.
Book Synopsis Physical Properties of Macromolecules by : Laurence A. Belfiore
Download or read book Physical Properties of Macromolecules written by Laurence A. Belfiore and published by John Wiley & Sons. This book was released on 2010-10-19 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: Explains and analyzes polymer physical chemistry research methods and experimental data Taking a fresh approach to polymer physical chemistry, Physical Properties of Macromolecules integrates the two foundations of physical polymer science, theory and practice. It provides the tools to understand polymer science concepts and research methods, while also instructing how to analyze experimental data. Drawing on the author's own extensive research in physical properties of polymers as well as more traditional topics, this text offers detailed analysis of numerous problems in polymer science, including laboratory data and research results. Topics include: Solid-state dynamics of polymeric materials Glass transitions in amorphous polymers Semicrystalline polymers and melting transitions Viscoelastic behavior Relaxation processes Macromolecule-metal complexes Mechanical properties of linear and crosslinked polymers Filled with detailed graphs to help explain important quantitative trends, Physical Properties of Macromolecules teaches by example, ensuring comprehension of the subject as well as the methodology to implement theory, problem-solving techniques, and research results in practical situations. This resource serves as the ideal companion for government laboratories, industrial research scientists, engineers, and professionals in polymer science fields who are interested in fully grasping all aspects of physical polymer science.
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Thermodynamics Of Electrolyte Solutions (Second Edition) by : Lloyd L Lee
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.
Book Synopsis Equations of State by : Kwang-chu Chao
Download or read book Equations of State written by Kwang-chu Chao and published by . This book was released on 1986 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: