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Author : John Daniel Friedemann
Publisher :
ISBN 13 :
Total Pages : 152 pages
Book Rating : 4.:/5 (178 download)
Download or read book The Simulation of Vapor-liquid Equilibria in Ionic Systems written by John Daniel Friedemann and published by . This book was released on 1987 with total page 152 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 37 pages
Book Rating : 4.:/5 (227 download)
Download or read book Determination of Physical Properties of Energetic Ionic Liquids Using Molecular Simulations written by and published by . This book was released on 2006 with total page 37 pages. Available in PDF, EPUB and Kindle. Book excerpt: Research results for AFOSR grant F49620-03-1-0212 for the period 1 April, 2003 to 31 December, 2006 is described. The objectives of this research were to develop and validate classical force fields for different model compounds representative of a range of ionic liquids; compute a wide range of physical properties for these model compounds; obtain molecular-insight into how property variations are related to structure; and develop new simulation tools to accurately compute melting points and gas solubilities in ionic liquids. All of these objectives were achieved. Force fields for a range of imidazolium- pyridinium- and triazolium-based ionic liquids were developed and published. Properties including densities, heat capacities, cohesive energy densities, enthalpies of vaporization, and diffusion coefficients and gas solubilities were computed. Liquid structure and these properties were relates to molecular interactions identified in the simulations. A new rigorous melting point prediction simulation method was developed and applied to teat systems including NaCI, benzene and triazole. It is currently being applied to ionic liquid systems.- A new semi-grand ensemble simulation method for predicting liquid-liquid equilibrium and vapor-liquid equilibrium was developed and published.
Author : Hasan Orbey
Publisher : Cambridge University Press
ISBN 13 : 9780521620277
Total Pages : 230 pages
Book Rating : 4.6/5 (22 download)
Download or read book Modeling Vapor-Liquid Equilibria written by Hasan Orbey and published by Cambridge University Press. This book was released on 1998-05-28 with total page 230 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reviews the latest developments in a subject relevant to professionals involved in the simulation and design of chemical processes - includes disk of computer programs.
Author : Faisal Waleed Mohammed
Publisher :
ISBN 13 :
Total Pages : 67 pages
Book Rating : 4.:/5 (14 download)
Download or read book Effects of Selected Ionic Liquids on the Vapor-liquid-equilibria of Water-2-propanol System written by Faisal Waleed Mohammed and published by . This book was released on 2018 with total page 67 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Separation processes involving vapor and liquid phases represent a typical unit operation in most chemical industries, including distillation and absorption. A large fraction of the capital and operating costs is usually devoted to such operations. Owing to the unlikelihood of the complete separation of azeotropic mixtures by distillation, separation processes involving such mixtures remain one of the most pressing challenges in the chemical industry. Using inorganic salts is a common technique in handling azeotropic systems. However, issues such as corrosion and fouling render this technique ineffective. Recently, ionic liquids were introduced as azeotrope-breakers. In this work, the effect of two ionic liquids, i.e., 1-Butyl-1-methylpyrrolidinium chloride [BMPy][Cl], and 1-Butyl-1-methylpyrrolidinium trifluoromethanesulfonate [BMPy][OTf] on the vapor liquid equilibrium (VLE) of the (azeotropic) water + 2-propanol system is investigated. For this purpose, the corresponding binary VLE for water or 2-propanol with each of the two ionic liquids were experimentally measured and reported at 100, 75, and 50 kPa. Based on the observed boiling point elevation, it has been found that [BMPy][Cl] has a higher interaction with both solvents than [BMPy][OTf]. Furthermore, it has been found that [BMPy][Cl] has a higher interaction with water than with 2-propanol, while [BMPy][OTf] interacts with both solvents in a similar manner. The boiling point elevation was found to be independent of the pressure. Most importantly, [BMPy][Cl], at a mole fraction of 0.31in the liquid phase, was capable of completely eliminating the azeotrope of water + 2-propanol system. In contrast, [BMPy][OTf] shifted the azeotrope towards the alcohol-rich region, yet it was not able to completely remove the azeotrope of this system at the studied concentrations. Data were modelled with the non-random, two-liquid (NRTL) model, which could describe the experimental data, with a root mean square deviation (RMSD) less than 0.015 for the solvents’ activity coefficients in the binary systems. For the ternary systems, the RMSD for temperature was found to be less than 2 oC. Thus, it is concluded that chloride based ionic liquids resemble good entrainers for the extractive distillation of the studied azeotrope."--Abstract.
Author : Eduard Hála
Publisher : Elsevier
ISBN 13 : 1483160866
Total Pages : 624 pages
Book Rating : 4.4/5 (831 download)
Download or read book Vapour–Liquid Equilibrium written by Eduard Hála and published by Elsevier. This book was released on 2013-10-22 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vapor-Liquid Equilibrium, Second Edition covers the theoretical principles and methods of calculation of equilibrium conditions from various experimental data and the elements of measuring technique, as well as the instruments for the direct determination of the equilibrium compositions of the liquid and vapor phases of the system. The book discusses the relations necessary for the thermodynamic treatment of the equilibrium between the liquid and vapor phase of a system; the concept of an ideal solution and auxiliary thermodynamic functions; and the activity and the activity coefficient. The text also describes vapor-liquid equilibrium in real systems (electrolytes and non-electrolytes) and in systems whose components (i.e. temperature, pressure, and composition of phases) mutually react according to several stoichiometric equations. The criteria of purity of substances and the methods of measuring temperature; low, medium, and high pressures; the pressures of the saturated vapors at given temperatures; and the boiling points at given pressures used in laboratory work in the field of vapor-liquid equilibrium are considered. The book also tackles the methods for the direct determination of equilibrium data (distillation, circulation, static, dew and bubble point, and flow methods). The text concludes with a review of the literature on the systems whose vapor-liquid equilibrium data had been measured and reported to the beginning of 1954. Workers in the chemical industry who deal with problems of distillation and rectification will find the book useful.
Author :
Publisher :
ISBN 13 :
Total Pages : 12 pages
Book Rating : 4.:/5 (727 download)
Download or read book Exact Calculations of Phase and Membrane Equilibria for Complex Fluids by Monte Carlo Simulation written by and published by . This book was released on 1990 with total page 12 pages. Available in PDF, EPUB and Kindle. Book excerpt: The general objective of this project is the investigation of phase equilibria for complex fluids using a novel methodology, Monte Carlo simulation in the Gibbs ensemble. The methodology enables the direct determination of the properties of two coexisting fluid phases (e.g. a liquid at equilibrium with its vapor) from a single computer experiment, and is applicable to multicomponent systems with arbitrary equilibrium constraints imposed. The specific goals of this work are to adapt the Gibbs technique to (a) highly asymmetric mixtures with large differences in size and potential energies of interaction (b) chain molecules and (c) ionic systems. Significant progress has been made in all three areas. In this paper, we will briefly describe the progress made in each area, using the same numbering scheme for the tasks as in the original proposal.
Author : Jürgen Gmehling
Publisher :
ISBN 13 :
Total Pages : 570 pages
Book Rating : 4.3/5 (91 download)
Download or read book Vapor-liquid Equilibrium Data Collection: Aqueous-organic systems written by Jürgen Gmehling and published by . This book was released on 2004 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Jürgen Gmehling
Publisher :
ISBN 13 :
Total Pages : 660 pages
Book Rating : 4.3/5 (91 download)
Download or read book Vapor-liquid Equilibrium Data Collection written by Jürgen Gmehling and published by . This book was released on 2003 with total page 660 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Richard J. Sadus
Publisher : Elsevier
ISBN 13 : 0323910556
Total Pages : 617 pages
Book Rating : 4.3/5 (239 download)
Download or read book Molecular Simulation of Fluids written by Richard J. Sadus and published by Elsevier. This book was released on 2023-09-16 with total page 617 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular simulation allows researchers unique insight into the structures and interactions at play in fluids. Since publication of the first edition of Molecular Simulation of Fluids, novel developments in theory, algorithms and computer hardware have generated enormous growth in simulation capabilities. This 2nd edition has been fully updated and expanded to highlight this recent progress, encompassing both Monte Carlo and molecular dynamic techniques, and providing details of theory, algorithms and both serial and parallel implementations. Beginning with a clear introduction and review of theoretical foundations, the book goes on to explore intermolecular potentials before discussing the calculation of molecular interactions in more detail. Monte Carlo simulation and integrators for molecular dynamics are then discussed further, followed by non-equilibrium molecular dynamics and molecular simulation of ensembles and phase equilibria. The use of object-orientation is examined in detail, with working examples coded in C++. Finally, practical parallel simulation algorithms are discussed using both MPI and GPUs, with the latter coded in CUDA. Drawing on the extensive experience of its expert author, Molecular Simulation of Fluids: Theory, Algorithms, Object-Orientation, and Parallel Computing 2nd Edition is a practical, accessible guide to this complex topic for all those currently using, or interested in using, molecular simulation to study fluids. - Fully updated and revised to reflect advances in the field, including new chapters on intermolecular potentials and parallel algorithms - Covers the application of both MPI and GPU programming to molecular simulation - Covers a wide range of simulation topics using both Monte Carlo and molecular dynamics approaches - Provides access to downloadable simulation code, including GPU code using CUDA, to encourage practice and support learning
Author : Anand Bharti
Publisher : CRC Press
ISBN 13 : 1498769497
Total Pages : 222 pages
Book Rating : 4.4/5 (987 download)
Download or read book Phase Equilibria in Ionic Liquid Facilitated Liquid-Liquid Extractions written by Anand Bharti and published by CRC Press. This book was released on 2017-03-31 with total page 222 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive overview of ionic liquid based separation techniques. The glimpse of thermodynamic predictive models along with global optimization techniques will help readers understand the separation techniques at molecular and macroscopic levels. Experimental and characterization techniques are coupled with model based predictions so as to provide multicomponent data for the scientific community. The models will focus more on the a-priori based predictions which gives higher emphasis on hydrogen-bonded systems. Particle Swarm Optimization (PSO) technique will also eventually help the readers to apply optimization technique to an extraction process. The overriding goal of this work is to provide pathways for leading engineers and researchers toward a clear understanding and firm grasp of the phase equilibria of Ionic Liquid systems.
Author : Aage Fredenslund
Publisher : Elsevier
ISBN 13 : 0444601503
Total Pages : 393 pages
Book Rating : 4.4/5 (446 download)
Download or read book Vapor-Liquid Equilibria Using Unifac written by Aage Fredenslund and published by Elsevier. This book was released on 2012-12-02 with total page 393 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vapor-Liquid Equilibria Using UNIFAC: A Group-Contribution Method focuses on the UNIFAC group-contribution method used in predicting quantitative information on the phase equilibria during separation by estimating activity coefficients. Drawing on tested vapor-liquid equilibrium data on which UNIFAC is based, it demonstrates through examples how the method may be used in practical engineering design calculations. Divided into nine chapters, this volume begins with a discussion of vapor and liquid phase nonidealities and how they are calculated in terms of fugacity and activity coefficients, respectively. It then introduces the reader to the UNIFAC method and how it works, the procedure used in establishing the parameters needed for the model, prediction of binary and multicomponent vapor-liquid equilibria for a large number of systems, the potential of UNIFAC for predicting liquid-liquid equilibria, and how UNIFAC can be used to solve practical distillation design problems. This book will benefit process design engineers who want to reliably predict phase equilibria for designing distillation columns and other separation processes.
Author : Helmut Knapp
Publisher :
ISBN 13 :
Total Pages : 630 pages
Book Rating : 4.3/5 (91 download)
Download or read book Vapor-liquid Equilibria for Mixtures of Low-boiling Substances: Ternary systems written by Helmut Knapp and published by . This book was released on 1989 with total page 630 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : N.B. Vargaftik
Publisher : Springer
ISBN 13 : 9783642525063
Total Pages : 0 pages
Book Rating : 4.5/5 (25 download)
Download or read book Handbook of Physical Properties of Liquids and Gases written by N.B. Vargaftik and published by Springer. This book was released on 2014-04-13 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides numerical data on physical and thermodynamic properties of a large number of elements and compounds. SI units are used throughout, and in addition, an adequate set of conversion tables is included. This volume will be a valuable source of reference for physical chemists and chemical engineers.
Author : Kenji Kiyohara
Publisher :
ISBN 13 :
Total Pages : 234 pages
Book Rating : 4.E/5 ( download)
Download or read book A Study of Vapor-liquid Equilibria of Polarizable Fluids by Monte Carlo Simulation written by Kenji Kiyohara and published by . This book was released on 1997 with total page 234 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Filipa M. Maia
Publisher :
ISBN 13 : 9789535109372
Total Pages : pages
Book Rating : 4.1/5 (93 download)
Download or read book Modeling of Ionic Liquid Systems: Phase Equilibria and Physical Properties written by Filipa M. Maia and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Keith E. Gubbins
Publisher : Taylor & Francis
ISBN 13 : 9789056990053
Total Pages : 568 pages
Book Rating : 4.9/5 (9 download)
Download or read book Molecular Simulation and Industrial Applications written by Keith E. Gubbins and published by Taylor & Francis. This book was released on 1996 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: First published in 2004. Routledge is an imprint of Taylor & Francis, an informa company.
Author : Athanasios I. Papadopoulos
Publisher : John Wiley & Sons
ISBN 13 : 1119106443
Total Pages : 686 pages
Book Rating : 4.1/5 (191 download)
Download or read book Process Systems and Materials for CO2 Capture written by Athanasios I. Papadopoulos and published by John Wiley & Sons. This book was released on 2017-05-01 with total page 686 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive volume brings together an extensive collection of systematic computer-aided tools and methods developed in recent years for CO2 capture applications, and presents a structured and organized account of works from internationally acknowledged scientists and engineers, through: Modeling of materials and processes based on chemical and physical principles Design of materials and processes based on systematic optimization methods Utilization of advanced control and integration methods in process and plant-wide operations The tools and methods described are illustrated through case studies on materials such as solvents, adsorbents, and membranes, and on processes such as absorption / desorption, pressure and vacuum swing adsorption, membranes, oxycombustion, solid looping, etc. Process Systems and Materials for CO2 Capture: Modelling, Design, Control and Integration should become the essential introductory resource for researchers and industrial practitioners in the field of CO2 capture technology who wish to explore developments in computer-aided tools and methods. In addition, it aims to introduce CO2 capture technologies to process systems engineers working in the development of general computational tools and methods by highlighting opportunities for new developments to address the needs and challenges in CO2 capture technologies.
